Scientific Program

Conference Series Ltd invites all the participants across the globe to attend 4th World Congress on Mass Spectrometry London, UK.

Day 1 :

Keynote Forum

Athula Attygalle

Center for Mass Spectrometry, Stevens Institute of Technology, USA

Keynote: Where is the charge located in multifunctional gaseous ions? A survey by Ion Mobility Mass Spectrometry

Time : 9:00- 9:30

Euro Mass Spectrometry 2017 International Conference Keynote Speaker Athula Attygalle photo
Biography:

Athula Attygalle is a reaech professor at Stevens Institute of Technology, USA. After an international scientific safari (University of Ceylon, University of Sri Lanka, Tokyo Institute of Technology, University of Keele, University of Erlangen-Nürnberg, and University of Houston), Attygalle became the Director of the mass spectrometry facility of Cornell University in 1991, After 12 years at Cornell, Attygalle became a Professor at Stevens Institute of Technology in Hoboken, NJ, in 2001. He has published over 200 papers in reputed journals and holds five U.S. patents.

Abstract:

 The preferred charge sites of protonated or deprotonated molecules in the gas phase has been a topic of extensive research. In fact, the exact location of the initial charge site of the precursor ion is requisite that should be addressed before any pragmatic interpretation of a fragmentation spectrum is attempted.  Although the challenge appears seemingly simple, in reality it is not at all a trivial problem. One often assumes that the charge location can be easily predicted by knowing the gas-phase acidity or basicity of various groups present in a polyfunctional molecule.  However, in reality this a very challenging problem because generalizations valid for solution-based chemistry cannot be extended directly to gas-phase phenomena.  For example, there is sufficient experimental evidence to demonstrate that deprotonated p-hydroxybenzoic acid exists in gas phase as a mixture of carboxylate and phenoxide forms.  Analogously, protonated aniline exists as mixture of nitrogen- or ring-protonated forms.  Ion-mobility mass spectrometry (IM-MS) provides a way to determine relative population ratios of protomers or deprotomers that coexist under mass spectrometric ion generation conditions.  Employing IM-MS separation, we demonstrate that mass spectrometric source conditions used for gas-phase ion generation play an important role on the relative ratios of isomeric protomers and deprotomers that coexist under a specific set of experimental conditions.

Euro Mass Spectrometry 2017 International Conference Keynote Speaker Hermann Wollnik photo
Biography:

Hermann Wollnik is professor at the Universität Giessen, in Giessen, Germany and adjunct professor at the New Mexico State University in Las Cruces, NM, USA. He has published the popular book “optics of charged particles” and is author of 374 publications in refereed scientific journals with 5693 citations. In the late 1970s he has started time-of-flight mass spectrometry and used this technique for the precise mass determination of short-lived nuclei as well as for molecule identifications in space missions like the ROSETTA mission to a comet.

Abstract:

The masses of atomic and molecular ions have been studied successfully since more than 100 years with the highest mass resolving powers being reached by “Fourier Transform Ion Cyclotron Resonance” (FTICR-MS) mass spectrometry and by “time-of-flight mass spectrometry” (TOF-MS). While FTICR-MS systems can reach very high mass resolving powers m/Δm. However, the required heavy usually superconducting magnets limit their use to special laboratories. TOF-MS systems on the other hand are built in most cases as lightweight systems and can very well be used for on-line applications in stationary or transportable laboratories and in extreme cases even in space crafts.  The achievable mass resolving power in time-of-flight mass analyzers (TOF-MA) systems increases with the use of shorter and shorter ion packets as well as with longer and longer ion flight paths. Such long flight paths are often achieved by using the same path repeatedly for instance in sector field ion storage rings or in systems in which ions are reflected again and again between electrostatic ion mirrors. Such systems can reach mass resolving powers m/Δm of several 100,000 and probably soon even higher values, when better and better power supplies can be used.  Examples of different TOF-MAs will be shown with applications to the mass identification of short-lived nuclei at heavy ion accelerators as well as for the analysis of molecular ions in chemistry laboratories and in spacecraft systems. Such TOF-MAs are often used as stand-alone systems. However, in increasingly many cases they are used in combination with mobility analyzers, which distinguish molecule ions by their shape. 

Euro Mass Spectrometry 2017 International Conference Keynote Speaker Marek M. Kowalczuk photo
Biography:

Marek M. Kowalczuk received his Ph.D. degree in 1984 from the Faculty of Chemistry, Silesian University of Technology, and D.Sc. degree in 1994 at the same University. He was a visiting lecturer at the University of Massachusetts in Amherst, MA, U.S.A. in  1990 and Marie Curie EU fellow at the University of Bologna, Italy. Currently, he is professor at the University of Wolverhampton, UK  and at the Centre of Polymer and Carbon Materials, Polish Academy of Sciences, Zabrze, Poland. He is the author and co-author of over 140 scientific papers and a score of patents.

Abstract:

Chemical modifications of bacterial polyhydroxyalkanoates (PHA) in order to introduce functional groups, that cannot be easily achieved by bioconversion processes, is a valuable challenge since chemically modified PHA can be utilized as multifunctional biomaterials. On the other hand, incorporation of bioactive compounds into the β-lactones structure may lead to (homo) and (co)oligoesters with a bioactive moiety covalently linked as pendent groups along an oligomer backbone. This synthetic strategy enables preparation of the natural PHA analogues with ibuprofen pendant groups, pesticide moieties and recently antioxidants used in cosmetics. Contemporary reports on the molecular level characterization of bioactive oligomers derived from  natural PHA and their synthetic analogues, formed through anionic ring-opening  polymerization (ROP) of β-substituted β-lactones, will be presented.  Mass spectrometry studies of  such oligomers will be discussed.  The undertaken approaches enable design of novel biodegradable and bioactive oligomers for diverse applications in medicine, cosmetic industry and agrichemistry.

Euro Mass Spectrometry 2017 International Conference Keynote Speaker Jianmin Chen photo
Biography:

Jianmin Chen has completed his PhD at the age of 29 years from Fudan University. He is an atmospheric Scientist, distinguished professor and directors of Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention, and International Collaboration Base of Climate and Environment (Ministry of Science and Technology of China) at Fudan University. He was a visiting associate professor at University of Pittsburgh from 1996 to 1997, and regularly visiting scientist in Institut de Combustion Aérothermique, Réactivité et Environnement-CNRS. He has published more than 180 pre-reviewed papers in geoscience and chemistry journals such as Chem. Rev., J. Amer. Chem. Soc., Atmos. Chem. Phys., Environ Sci. Technol. and J. Geophy. Res., and serving as an associated editor of Sci. Total Environ., and board members of Aerosol Air Qual. Res., J. Environ. Sci.  and Adv. Environ. Res.. He was honored as de chevalier dans l'ordre des palmes académiques, and the Enjoyment of the State Council of China special allowance in 2015. 

Abstract:

Recently, multifarious mass-spectrometric techniques (MAF) have been rapidly developed and applied to tropospheric multiphase chemistry. They play an important role in the studies of secondary aerosol formation, chemical components, atmospheric oxidation, haze episodes and cloud condensation nuclei (CCN), which impact many aspects of air quality, health and global climate. Here, a variety of MST is introduced to investigate multiphase chemistry in ambient air and laboratory studies, (i) secondary organic aerosols (SOA) formation was investigated by single particle ToF mass spectrometry from α-pinene–ozone system with seed aerosols in an aerosol chamber; (ii) particulate nitrate formation was firstly explored by aerosol ToF mass spectrometry. High molecular weight species were observed in urban Shanghai aerosols; (iii) desorption electrospray ionization mass spectrometry has been applied for the first time to the analysis of SVOCs in atmospheric aerosols and only a 1 µL droplet sample is needed for analysis without or with little pretreatment; (vi) UHPLC coupled with Orbitrap MS was used in PM2.5 analysis. About 200 formulas of organosulfates, were found including dozens of formulas of nitrooxy- organosulfates with various numbers of isomers. It is increasing interest in MST combined with hygroscopic and optical techniques to explore atmospheric process and radiative forcing. 

Keynote Forum

Alexander A. Sysoev

National Research Nuclear University MEPhI, Russia

Keynote: Problems and solutions of laser mass spectrometry
Euro Mass Spectrometry 2017 International Conference Keynote Speaker Alexander A. Sysoev  photo
Biography:

Alexander A. Sysoev - Doctor Physics & Mathematics Science, Professor Department "Molecular Physics", National Research Nuclear University MEPhI, Moscow, Russian Federation. Member of the Presidium and the Council of the All-Russian mass spectrometric society. Inventor of USSR, Honorary Professor of Moscow Engineering Physics Institute, and Honorary Employee of High Professional Education of Russian Federation. Research interests: analytical chemistry, ionization processes, ion optics, and time-of-flight mass analyzers. Also there are chief developments: theory for multiturn time-of-flight mass analyzers; the laser time-of-flight mass spectrometer for elemental analysis; combined ion mobility spectrometer /time-of-flight mass spectrometer with axial symmetric field for analyses of explosive, drugs, pharmaceutical preparations. New Educational Technology by Imitation Professional Activity of students was developed and implemented in the Moscow Engineering Physics Institute. Such graduates as Alexander Makarov, Vyacheslav Artayev, Dmitry Bandura and many others are working in leading the mass spectral companies and laboratories.

Abstract:

The report examines the various trends in laser mass spectrometry for elemental analysis. The potential possibilities of laser ablation, laser ionization, ionization of gas-forming impurities are regarded. It analyzes the basic physical processes in during the generation of ions by the laser irradiation and conditions of adequately displaying  the composition of the sample using the laser plasma. The new concept of implementation standardless elemental analysis by using a laser time-of-flight mass spectrometer is offered. The key provisions of the concept are both a complete ionization of the vaporized sample by laser pulse of a local volume and without a discriminatory transmission and detection of the ion packets of any element with the help of the mass analyzer. Discriminatory factors are analyzed at different stages of the ion separation. Different approaches of construction of analytical systems for measuring the ion composition by means of various TOF analyzers. The elemental analysis by laser ionization highlighted three main areas: 1) routine elemental analysis in various industrial technologies for production of solid materials where it is enough to have the resolution R = 500 - 800, the detection limit equals 0.1 - 1 ppm; 2) the elemental analysis of high-purity substances, where it is necessary resolution at the level of R~104, and the detection limit about hundreds of ppt; 3) trace element analysis of gas-forming, where it is necessary to have a detection limit in the concentrations  at levels of ~10-7 - 10-8%, and the main problem is the high background of adsorbed gases at surface of samples. New principles of analytical systems of laser TOF mass spectrometers are disclosed. Their basis is the synthesis of the ion source and the TOF analyzer as a single separation unit, the rejection of the additional acceleration of ions in the source, the use of innovative analyzers with wedge-form reflectors of ions. Fundamental importance for standardless analysis is the formation of the analytical signal for each element, as the sum of the signals of singly and doubly charged ions for the total spread of ion by energies. Some technical solutions are also 

  • Renowned Speakers at Euro Mass Spectrometry 2017

Chair

Speaker Slots are Available for Day 1

Session Introduction

Miral Dizdaroglu

National Institute of Standards and Technology, USA

Title: Measurement of DNA repair proteins in cancer by mass spectrometry
Speaker
Biography:

Dr. Dizdaroglu has obtained his PhD at the Karlsruhe Technical University, Germany, and subsequently worked for 7 years at the Max-Planck-Institute for Radiation Chemistry, before moving to USA. He has been at the National Institute of Standards and Technology (NIST) for more 30 years. In 2006, Dr. Dizdaroglu was conferred upon the rank of NIST Fellow. To date, he published highly cited 247 papers. Dr. Dizdaroglu received numerous scientific awards including the Hillebrand Prize of the American Chemical Society, and the Silver and Gold Medal Awards of the US Department of Commerce. He was also awarded two Honorary Doctorates.

Abstract:

DNA damage occurs in living organisms by exogenous and endogenous sources. Unless repaired, DNA damage can cause genomic instability that may give rise to disease processes including carcinogenesis. Cancer tissues overexpress DNA repair proteins, leading to therapy resistance. Evidence suggests that DNA repair capacity may be a predictive biomarker of patient response. Thus, accurate measurement of DNA repair proteins in disease-free tissues and malignant tumors of patients may be essential in cancers, and for the development and use of inhibitors of these proteins in cancer therapy, and for determining the response of patients. We developed methodologies involving LC-MS/MS with isotope-dilution to positively identify and accurately quantify DNA repair proteins in human tissues. For this purpose, we produced and purified full length 15N-labeled analogs of human DNA repair proteins as internal standards. Following trypsin digestion, we identified numerous tryptic peptides of both unlabeled and 15N-labeled proteins by their full scan and product ion spectra. Next, we identified and quantified several DNA repair proteins in various human cultured cell lines, and in human disease-free breast tissues and malignant breast tumors. Extreme expression of the proteins in cancer cells and in malignant breast tumors was observed, suggesting that cancer cells may overexpress DNA repair proteins for survival. The approach described is expected to be applicable to the measurement of expression levels of DNA repair proteins in malignant tumors vs. surrounding disease-free tissues in patients. This attribute may help develop novel treatment strategies and DNA repair inhibitors as potential anticancer drugs, and guide therapies.

Speaker
Biography:

Giovanni Meloni, Associate Professor and Von Soosten Chair, is a physical chemist. Prior to joining the University of San Francisco, Prof. Meloni carried out post-doctoral research at the University of California, Berkeley and at Sandia National Laboratories. In this research, he used state-of-the-art techniques, both experimental and computational, to study transition states, semiconductor clusters, and van der Waals species employing anion photoelectron spectroscopy, and hydrocarbon radicals using pulsed-laser photolytic initiation and continuous-laser absorption detection. Prof. Meloni's current research interests range from high-temperature physical chemistry to spectroscopic characterization of reaction intermediates important to atmospheric and combustion chemistry. 

Abstract:

Synchrotron Multiplexed Photoionization Mass Spectrometry has proven to be a powerful and reliable experimental technique to probe reactions relevant to both combustion and atmospheric chemistry by characterizing products and intermediates, energetically via photoionization spectra and kinetically via time traces. The versatility of a side-sample flow tube reactor employing flash photolysis initiation of the reactions has been satisfactorily proven in recent years. The synchrotron multiplexed photoionization mass spectrometer at the Advanced Light Source (ALS) of Lawrence Berkeley National Laboratory will be described and specific examples will be presented. As a result of the multiplexing capabilities of this apparatus, each set of data comprises a three-dimensional data block of time, mass-to-charge ratio, and photon energy as function of ion intensity. The reaction is initiated when the photolysis laser is fired, i.e., this corresponds to the reaction starting time t0. The species generated in the reactions can be followed in time and energy to provide kinetic traces and photoionization (PI) spectra, which is a plot of the ion signal of a chosen mass-to-charge ratio versus the photon energy. The PI plots are of great importance in product identification because each species has specific Franck-Condon factors that translate into different shapes of the photoionization spectra. In addition, photoionization spectra not only assist in product identification, but also provide information relating to the relative concentrations of products of interest through the measurement of their photoionization cross-sections. 

Speaker
Biography:

Nasrin Hooshmnad received her Ph.D.  in the field of physical chemistry and currently, as a Research Scientist II in the field of Nanotechnology and Nanoscience  at Georgia Institute of Technology, she is studying the fundamental physical and chemical properties of plasmonic metal nanoparticles. She is calculating the physical properties of chemicals and useful new architecturally interesting materials especially for application in biological imaging, photothermal therapy, SERS, optical wave guiding, and sensing and bio-sensing .

Abstract:

Plasmonic nanoparticles made of Ag or Au received significant attention from researchers in this field as it showed unique properties when they interact with the electromagnetic radiation, primarily in the visible region. The localized surface plasmon resonance (LSPR) is an example for one such property. This results from the resonant excitations of the collective oscillations of their conduction band electrons. It well known as interparticle gaps are reduced, localized regions of intense electromagnetic fields known as “hot spots” form, which are of interest in surface-enhanced Raman spectroscopy (SERS).  This is primarily due to the spatial overlap of the individual plasmonic modes, which induces the formation of hybridized collective plasmonic modes. At nanoscale separations, the hot spots produced in these composite frameworks exhibit noteworthy enhancements in Raman scattering, fluorescence, infrared absorption; which have been useful for a variety of applications. Substantial Raman enhancement can be generated, using larger aggregates experimentally. Using powerful numerical methods such as discrete dipole approximation (DDA), we can model the optical properties of the assembled silver and gold nanoparticles. We examined the changes in the nanocube surface plasmonic field distributions as the dimer separation was varied.  At very short distances, the hot spot is located in between the adjacent faces and away from the corners of these faces. At larger separations, it moves towards the adjacent corners. We observed apparently anomalous behavior for the heterodimer. The E-field resulting from excitation of the Ag dominated plasmon resonance was significantly weaker than expected. The most likely explanation for these observation is that the silver plasmon mixes with the gold interband transition to form a hybrid resonance that produces weaker overall field intensity.

Speaker
Biography:

Steven J. Bark obtained his Ph.D. from The Scripps Research Institute (TSRI) with Professor Stephen B.H. Kent. He has served as the Director of the Center for Protein Sciences at TSRI before joining University of California San Diego as an Associate Project Scientist, Adjunct Assistant Professor, and Member of the Clinical and Translational Sciences Institute. Dr. Bark is currently an Assistant Professor in the Department of Biology and Biochemistry at University of Houston. His research program applies mass spectrometry, analytical chemistry, and systems biology to understand how dormancy stress responses regulate bacterial pathogenesis and evasion of antibiotics. 

Abstract:

Dormancy is a protective state where diverse bacteria including M. tuberculosis, S. aureus, T. pallidum (syphilis), and B. burgdorferi (Lyme Disease) curtail metabolic activity to survive severe external stresses including antibiotics. Dormancy appears to consist of a continuum of interrelated states including viable but nonculturable (VBNC) and persistence states implicated in antibiotic tolerance, reemergence from latent infections, and even quorum sensing and biofilm formation. To eliminate dormancy as a mechanism for antibiotic tolerance, we must bridge a critical gap in current knowledge; our limited understanding of the protein mechanisms regulating persistence and VBNC dormancy states. To elucidate some of these mechanisms, we have queried the VBNC state of Micrococcus luteus NCTC 2665 (MI-2665) by quantitative proteomics combining gel electrophoresis, HPLC and tandem mass spectrometry. MI-2665 is well suited for these studies being a non-pathogenic actinobacterium containing a small 2.5 Mb, high GC-content genome and exhibiting a well-defined VBNC state induced by nutrient deprivation. The MI-2665 VBNC state demonstrated a loss of protein diversity accompanied by upregulation of 18 proteins that are conserved across Actinobacteria, of which 14 have not been previously identified. In this talk, I will discuss these proteins and their implication of an anaplerotic strategy in VBNC transition exploiting the glyoxylate shunt, redox and amino acid metabolism, and ribosomal regulation. These results indicate a VBNC protein-level signature and suggest the viability of MI-2665 as model for dissecting the protein mechanisms underlying this stress response. I will also discuss the broader implications of our results for understanding protein regulation of dormancy and for therapeutic targeting of dormant bacterial infections.

Speaker
Biography:

Pietro Traldi obtained was graduated in physics in 1973 from Milan University. From 1974 to 2015 he was Research Executive at the Italian Research Council, working mainly in the field of mass spectrometry. He has published more than 600 papers in international journals. Actually he collaborates with the Paediatric Research Institute “Città della Speranza” in Padova and with Aboca SpA, Italy.

 

Abstract:

Many of the mechanisms of action of drugs can be explained by the theory of "lock and key": an active molecule to produce a pharmacological effect has to interact with the receptor site. However, in a highly complex biological system, such as a plant extract, hundreds of different molecules interact with each other leading to aggregation phenomena between different molecular systems. Then the formation of complexes between different molecules must be considered highly probable and the biological activity would have to be ascribed to molecular complexes rather than to a single molecule. A good example of this aspect is that related to tea, with complexes between caffeine and catechins, in particular epigallocatechin gallate (EGCg). The formation of these complexes has been studied in detail, showing that caffeine and EGCg in the solid state pile up to form complex stacks. By studying solutions 1H-NMR investigations show clear differences among the caffeine signals in the spectrum of pure, synthetic compound and those present in tea extracts. In the present investigation the capabilities of tandem mass spectrometry for the detection of these bimolecular complexes have been studied by ESI-QqQ instrumental approach. The presence of complexes in tea extracts has been tested either by precursor ion scans of the caffeine protonated molecule or by neutral loss scans aimed to find all the possible ionic species which loose neutral caffeine. By these approaches different molecular caffeine containing complexes have been evidenced.

Speaker
Biography:

Sofia Nikolaou has completed her PhD at the age of 29 years from University of São Paulo (Brazil). She is an inorganic chemist, associated professor at University of São Paulo and leader of a research team focusing on synthesis, spectroscopic properties and biological activity of monomeric and supramolecular systems based on ruthenium compounds. She has published more than 40 papers in reputed journals and owns a patent on anti-inflammatory activity of ruthenium – NSAIDs compounds

Abstract:

The use of mass spectrometry with ESI ionization can be considered already a classic instrumental technique of characterization, with applications ranging from organic chemistry to biomedicine. However, it is less common for the user to extrapolate its range of applications for inorganic samples. It is still usual today to apply ESI/MS experiments exclusively to identify the molecular species of interest; but it is much less common the use of this technique and induced fragmentation experiments in the investigation of the properties of inorganic compounds and their structural characterization based on diagnostic dissociation patterns. This presentation is intended to show a variety of uses for ESI/MS and ESI/MS-MS experiments focused on the characterization of monomeric species and supramolecular structures based on ruthenium complexes, such as the one shown below. It will be presented analysis of charged species spectra and their characteristic dissociation patterns in the gas phase, which undoubtedly allow to propose their extended structures; the use of isotopic distribution profiles for the assignment of fragments charges and charge partition phenomenon; and, in all cases, the ability to investigate the relative binding energy between the metal centre and the various organic and inorganic groups present in the structures. This latter information is particularly important in planning properties such as controlled release of functional molecules such as nitric oxide for medical applications. 

 

Speaker
Biography:

Jindra Valentova, PhD is associate professor and vice-dean at Faculty of Pharmacy, Comenius University in Bratislava. Her research interest is focused on bioanalysis of new pharmaceuticals and illicit drugs using modern mass spectrometry methods. She is leader of numerous research domestic and international projects and she has published more than 50 papers in reputed journals. 

Abstract:

Over the past decade, the availability of new psychoactive substances on European illicit drug market has increased considerably. These new synthetic compounds often termed „designer drugs“ or „legal highs“ exhibit modified molecular structure as compared to the established illicit substances. Synthetic cannabinoids and cathinones make up the largest groups of designer drugs.They were developed with the intention of mimicking the effect of traditional illicit drugs of abuse and are aimed at circumventing the laws regulating sale and use of controlled substances. Wide structure diversity limits the possibilities of their detection with conventional colour tests or immunoassays. Great effort is undergoing to develop new methods for identification and quantification of these modern drugs, in particular new mass spectrometry techniques. DART (Direct Analysis in Real Time) mass spectrometry is an ambient ionization method which allows direct analysis of all types of samples (solid, gas, liquid) without the need for any sample preparation. In our work, the usefulness of DART ion source in combination with the high-resolution ORBITRAP mass spectrometer is demonstrated for screening of cathinones and synthetic cannabinoids. Several different cannabinoids in complex herbal matrices were detected. The analysis enabled rapid detection of these substances without the necessity of pre-treatment of the samples. This method could be also used for fast and reliable identification of contamination of e.g. money notes touched with fingers stained by illicit drugs.  

Speaker
Biography:

Zeid Abdullah Alothman is working as a professor at the Department of Chemistry at King Saud University, Riyadh, Saudi Arabia. He received his BSc in 1997 from King Saud University and PhD degree in 2006 from Oklahoma State University, Stillwater, Oklahoma State, USA. His research has been focused on the application of chromatography separation methods in environmental, chemical and pharmaceutical studies, safe pollutants removal, synthesis of new silica based materials for separation (packing materials for chromatographic columns). Development of Iron Nano-Impregnated Adsorbent for Fast Removal of Fluoride from Water, etc. He has contributed in so many other fields as well and all his outstanding achievements. Rather than this, he has guided few PhD and Masters Students and published book chapter in the various field of chemistry and has been published few books as editor as well.

Abstract:

An UPLC-MS method has been developed for the simultaneous separation, identification and determination of 22 phenolic constituents in honey from various floral sources from Yemen. Solid-phase extraction was used for extraction of the target phenolic constituents from honey samples, while multiwalled carbon nanotubes were used as solid phase adsorbent. The chromatographic separation of all phenolic constituents was performed on a BEH C18 column using a linear gradient elution with a binary mobile phase mixture of aqueous 0.1% formic acid and methanol. The quantitation was carried out in selected ion reaction monitoring acquisition mode. The total amount of phenolic acids, flavonoids and other phenols in each analyzed honey was found in the range of 338-3312, 122-5482, and 2.4-1342 μg/100 g of honey, respectively. 4-Hydroxybenzoic acid was found to be the major phenolic acid. The main detected flavonoid was chrysin, while cinnamic acid was found to be the major other phenol compound. The regeneration of solid phase adsorbent to be reused and recovery results confirm that the proposed method could be potentially used for the routine analysis of phenolic constituents in honey extract. 

Speaker
Biography:

Vladimir Zaichick is a Nuclear Physicist, Biologist and Researcher. He obtained his MS in 1966 from the Moscow Institute of Engineering Physics, his PhD (nuclear physics) in 1972 from the Institute of Biophysics, Moscow, and his DSc (radiobiology) in 2011 from Medical Radiological Research Center, Obninsk, Russia. He is a full professor of radiobiology, a fellow of the British Royal Society of Chemistry (FRSC) and a Chartered Chemist (CChem) since 1996. He has made 141 presentations at seminars and conferences, published more 300 papers in reputed journals and is serving as an editorial board member of four scientific journals.

Abstract:

Since the times of the alchemists, chemical elements have been investigated in human organs, tissues and fluids. During the last decades the number of publications devoted to them increased considerably. Today, the number of published articles may be estimated at about twenty thousands, and the amount of monographs about hundred. This vast amount of data, dealing with the importance of elements acquired in different fields of scientific research and practical life, puts forward the need for a synthetic approach in element research. At the end of the 20th century, a new scientific discipline appeared, focused on the role of chemical elements in human body under physiological and pathological conditions. This new field of interdisciplinary study has been named: “Medical Elementology” (from lat. “medicina” and “elementum”). A lot of medical doctors, toxicologist, ecologist, chemists and physicist who were involved in the study of chemical elements in medicine and biology had thus the feeling that they were working in new self-sufficient scientific sphere. As a rule, all scientific disciplines are characterized, first of all: 1) by the subject of study; 2) by accepted postulates; 3) by research methods; 4) by methods of quality control; 5) by terms and definitions. Instrumental analytical methods such as non-destructive NAA and EDXRF as well as destructive AAS, ICP-AES and ICP-MS are the main research instruments in Medical Elementology. Role and place of ICP-MS will be discussed using our results obtained in the age-dependence studies of 67 chemical element contents in human bone, hair and prostate gland.

Speaker
Biography:

Alexandra M.M. Antunes has completed his PhD at the age of 29 years from Universidade Nova de Lisboa (Portugal). She is Chemical Toxicologist, Principal Researcher of a team focusing on the use of covalent adducts formed with proteins (adductomics), directed towards the development of early biomarkers of chemical carcinogens and risk assessment of drugs used in chronic therapies, at Instituto Superior Técnico (Portugal). She has published more than 40 papers in reputed journals.       

Abstract:

Human exposure to chemical agents of drug, dietary, occupational or environmental exposure is a main public health concern, as a major cause of cancer. Despite, most of the chemically-induced cancers could be averted upon preventive measures, encompassing accurate monitoring and regulatory action, only a little over 100 compounds are currently classified as “carcinogenic to humans” by the International “Agency for Research on Cancer”. This is mainly a reflection of the difficulty in accurately assessing human exposure and classifying the carcinogenic potential of chemical agents. Therefore, more accurate and earlier compound-specific biomarkers of chemical carcinogenesis are urgently needed. Using the food contaminant and rodent carcinogen furan as model, the first evidence for in vivo occurrence of carcinogen-modified histones were recently provided by mass spectrometry-based methodologies. A furan-derived adduct was identified in liver histone 2B of rats treated with tumorigenic doses of furan. Taking into consideration that the formation of furan-derived DNA adducts is yet to be provided, furan-modified histone 2B may provide a toxicologically relevant furan-specific biomarker of carcinogenicity. Importantly, this adduct was identified prior to epigenetic modifications, which is consistent with the occurrence of carcinogen-modified histones at early stages of exposure. Recent advances on the detection of histone adducts with other chemical carcinogens suggest that these modifications are general in scope. Consequently, the covalent modification of histones by chemical carcinogens or their metabolites may provide relevant early compound-specific biomarkers of cancer. This is anticipated to be useful for accurate risk assessments, allowing efficient regulatory measures, and ultimately leading to decreased incidence of chemically-induced cancers. 

Speaker
Biography:

Ali Mohammad-Djafari received the B.Sc. degree in electrical engineering from Polytechnic of Teheran, in 1975, the diploma degree (M.Sc.) from Ecole Supérieure d'Electricit(SUPELEC), Gif sur Yvette, France, in 1977, the "Docteur-Ingénieur" (Ph.D.) degree and "Doctorat d'Etat" in Physics, from the University of Paris Sud 11 (UPS), Orsay, France, respectively in 1981 and 1987.He was Assistant Professor at UPS for two years (1981-1983). Since 1984, he has a permanent position at "Centre national de la recherche scientifique (CNRS)" and works at "Laboratoire des signaux et systèmes (L2S)" at Centrale-Supélec. He was a visiting Associate Professor at University of Notre Dame, Indiana, USA during 1997-1998. From 1998 to 2002, he has been at the head of Signal and Image Processing division at this laboratory. 

Abstract:

There have been recent advances in different techniques of Mass spectrometry. However, in many of these techniques there are common mathematical framework: Inverse problems. In this work, a few of these inverse problems are presented and an overview of the methods to handle them is given.  The Bayesian inference approach is a very useful approach to handle these problems as it give the possibility to account both for prior modeling of the signals and images and for the uncertainly associated to the measurement process. It also gives the necessary tools to estimate the hyper parameters and the remaining uncertainties in the proposed solution. To illustrate this, we take the deconvolution problem which is one of the main inverse problems in mass spectrometry and go through the different regularization and Bayesian inference methods and compare their relative performances. 

Speaker
Biography:

Anna Konopka has completed her PhD at the age of 29 years from University of Warsaw (Poland). She did the post-doctoral training at the German Cancer Research Centre (DKFZ) in Heidelberg (Germany) in mass spectrometry research group of Prof. Wolf-Dieter Lehmann. Currently, she is working in Experts’ Centre for Analytical Chemistry at the Biological and Chemical Research Centre at the University of Warsaw (Poland). In her research she is focusing on the production and quantification of isotopically-enriched full-length protein standards and their use as internal standards for endogenous protein quantification by ICP and ESI mass spectrometry.

Abstract:

Among numerous technologies to study the proteome, mass spectrometry-based techniques are capable to provide the most accurate and reproducible quantitative data. Proteomic studies can provide two types of data: relative and absolute. For absolute quantification suitable standards are required. Two novel approaches, named RSQ&RIQ (Recombinant Selenium Quantified & Recombinant Isotope-labelled and Quantified) and [Sec-to-Cys]selenoprotein standards, for production of full-length protein standards, which are quantified very accurately, are presented.  In the RSQ&RIQ strategy standard protein production is achieved by cell-free E.coli protein expression system with incorporation of selenium and stable isotope-labelled amino acids (e.g. 13C/15N-labelled arginine and/or lysine) in RSQ and RIQ standard, respectively. RSQ is accurately quantified by ICP MS via selenium detection and is then used as a standard for quantification of RIQ by LC-ESI-MS/MS. The latter then represents the final selenium-free protein standard to be used as internal standard for endogenous protein quantification. RSQ&RIQ methodology is universal approach and can be used for absolute quantification of a variety of proteins. Standard preparation, purification, and characterization are presented for human transferrin and mouse MMP-9 proteins.  In the [Sec-to-Cys]selenoprotein standards strategy the protein production is also achieved by cell-free E.coli system, but DNA template containing the coding sequence of selenoprotein is modified in such a way that all selenocysteine (Sec) codons are site-mutated to cysteine (Cys) codons. During protein synthesis 76Se-enriched selenomethionine (76SeMet) is introduced allowing for accurate absolute quantification by ICP MS. [Sec-to-Cys]selenoprotein standard production and characterization for human glutathione peroxidase 3 and selenoprotein P are presented. 

Speaker
Biography:

AM. Bossi, PhD in Polymer Chemistry in 2002 (Cranfield University, UK), is Analytical Bio/chemist. She holds the Associate Professor Chair in Analytical Chemistry at the University of Verona (Italy), where she is leader of the research team on Biomimesis and Molecular Recognition. Main focus of her research is on the development of bioanalytical methods for protein and proteome analysis by: fundamental studies on hydrogels, preparation of biomimetic and responsive nanomaterials, molecular imprinting of polymers, integration of these materials to mass spectrometry and sensing. She is author of 78 papers in peer reviewed journals and 6 book chapters of bioanalytical methods.  

Abstract:

Molecularly imprinted polymers (MIPs) are a class of tailor-made biomimetic materials, made by a template assisted synthesis and suitable for the recognition of target analytes, including peptides and proteins, with reported affinities and selectivity of the par of natural antibodies. With the aim to develop flexible analytical platforms performing high sensitivity and selectivity measurements, suitable for multi-biomarker determinations, the integration between the biomimetic MIPs and MALDI-TOF mass spectrometry (MS) was studied. Libraries of micro and nano-MIPs, including responsive MIP-materials, addressed at both peptide- and protein-biomarker were synthesized, characterized and coupled to MALDI-MS. The analytical performance and the extent of the applicability of the MIP/MALDI-MS was studied by challenging the system with selected biomarkers, present in serum at concentrations spanning from the nano- to the pico-molar, but bearing different characteristics in size, folding and complexity. Results indicate the coupling of micro and nano-MIP materials to MALDI-MS indeed generates rapid and highly sensitive detection methods.  As MIPs are suitable “baits” for the general development of flexible platforms for the analysis of molecular biomarkers of clinical interest, MIP/MALDI-MS foreseen applications span from the global evaluation of the health status of patients, to functional proteomic research, letting envisage multiple domains of interest. 

Speaker
Biography:

Chi-Kit Andy Siu received his PhD in Computational Chemistry from Chinese University of Hong Kong in 2003. After being a Postdoctoral Fellow at TU Munich (2003 – 2005, supported by Alexander von Humboldt Foundation) and York University (2005 – 2009), he joined City University of Hong Kong in 2009 and has become an Associate Professor since 2015. Dr. Siu is interested in the fundamentals of gas-phase ion chemistry, including structures of ions and their reaction mechanisms, thermodynamics, kinetics and dynamics at the electronic, atomic and molecular levels. He has published over 50 research articles on gas-phase ion chemistry.

Abstract:

Tyrosine is a constituent amino-acid residue of proteins. Because of the relatively low ionization energy of the aromatic phenol ring in its side chain, tyrosine is prone to be oxidized. The resulting one-electron oxidized tyrosyl radical is an important intermediate in many redox reactions of protein radicals. The intrinsic chemical properties of tyrosyl radical can be revealed from the fragmentations of tyrosine-containing peptide radical cations in the gas phase. The peptide fragments also provides invaluable sequence information that can be applied in mass spectrometry-based protein analyses. Upon ionization in the gas phase, a variety of tyrosyl radical tautomers can be generated and subsequently undergo radical-induced bond cleavages normally in the vicinity of the tyrosine residue. We have recently discovered an unusual radical-induced bond cleavage at the side chain of an amino-acid residue remote from the tyrosine. The plausible reaction mechanisms at the atomic and electronic levels have been examined experimentally using collision-induced dissociation for peptide models and their isotope-labeled and chemical derivatives and theoretically using density functional theory simulations.

Speaker
Biography:

Kay Ohlendieck has an undergraduate degree in Biology from the University of Konstanz, Germany (1985), a PhD in Biochemistry from University College Cork, Ireland (1989) and a D.Sc. in Muscle Biology from University College Dublin, Ireland (2011). He has worked as a postdoctoral associate at the University of Iowa, Iowa City and at the State University of New York, Stony Brook, as well as a Lecturer in the Department of Pharmacology, University College Dublin (1995-2001). Since 2002, he is Professor & Chair of Biology at Maynooth University, National University of Ireland, and his research focuses on skeletal muscle proteomics.        

Abstract:

Mass spectrometry-based proteomics is a key bioanalytical technique for the comparative analysis of pathological specimens. In the field of neuromuscular disorders, both two-dimensional gel electrophoresis and liquid chromatography have been employed for the large-scale separation of distinct protein populations prior to mass spectrometric analysis. Our laboratory has focused on the systematic profiling of animal models of Duchenne muscular dystrophy, a devastating muscle wasting disease of early childhood. X-linked muscular dystrophy is due to primary abnormalities in the Dmd gene that encodes the membrane cytoskeletal protein dystrophin. For the mass spectrometric identification of new biomarker candidates of dystrophinopathy, we used two complementary methods, fluorescence two-dimensional difference in-gel electrophoresis and liquid chromatography in combination with label-free mass spectrometry. Novel skeletal muscle-associated disease markers of fiber degeneration, myofibrosis and sterile inflammation are involved in the excitation-contraction-relaxation cycle, the extracellular matrix, the cytoskeleton, energy metabolism and cellular stress. In addition, tissue samples from the dystrophic heart and the central nervous system, as well as serum, were analysed by proteomics. Independent verification studies were carried out by immunoblotting and immunofluorescence microscopy. In the future, the newly established proteomic biomarker candidates of X-linked muscular dystrophy may be useful for improving diagnostic, prognostic and therapy-monitoring approaches, as well as the identification of new therapeutic targets down-stream of the primary abnormalities in the cytoskeletal network.

Zhao Yun

China Waterborne Transport Research Institute, China

Title: The application of portable GC-MS on the petrochemical wharf
Speaker
Biography:

Zhao Yun has completed his PhD at the age of 29 years from Institute of Chemistry, Chinese Academy of Sciences(China). He is associated researcher and director of a research team focusing on VOCs detection in China Waterborne Transport Research Institute. He has published more than 10 papers in reputed journals.

Abstract:

 There are many kinds of volatile organic compounds(VOCs) volatilized in the air when the petrochemical wharf are working, and most of them are harmful to people. Since the VOCs detector usually matches given kinds of gases, If the exact kind of gases is undefined or is wrongly informed, there will be a big mistake in detection result. The mass spectra has an advantage over determining the gas kinds, but it’s usually heavy and its sampling mode is not convenient for quick detection. To resolve this problem, a method based on portable GC_MS for VOCs determination is developed, which is based on the portable GC-MS technology.  The VOCs are directly extracted by solid phase microextraction head for 120 seconds.  After that, they are analyzed on the portable GC-MS, determined by retention time and MS peaks, quantified by external standard method.  It only takes 6.4min from sample extracting to get the result.  However the linear correlation is larger than 0.98, and the minimum detectable concentration is lower than half of their occupational exposure limits.  In the simulation test, the relative error is lower than 4.4%.  This method can directly sample in the field, rarely depends on external conditions, and is very convenient to carry. It takes very short time to complete the detection, at the same time it can determine and quantify multiple kinds of VOCs at a time.  So it will be very suitable for the VOCs emergency detection in the leakage scene.

Speaker
Biography:

Abstract:

The gas-phase conformation of the complexes of leucine-enkephalin (YGGFL) with Li+, Na+, and K+ were investigated by gas phase hydrogen/deuterium exchange-mass spectrometry (HDX-MS) combined with theoretical calculations. Different HDX performance were observed of enkephalin complexed with proton and Li+, Na+, and K+ ions. It was observed that [YGGFL+H]+ reacts continuously while the quenched reaction was found in the complexes of YGGFL with metal ions. For example, at the same HDX conditions, hydrogen exchanged in [YGGFL+H]+ and [YGGFL+Na]+ is 8 and 4, respectively. It is indicated that the two ions are of different conformation through various HDX performance. To further clarify the experimental results, the conformations were calculated by using density functional theory. It shows that the terminal amino group is the most thermodynamically stable protonation site, while the sodium ion coordinated four carbonyl oxygen atoms forms the most favorable sodium adduct. It is found that the difference in HDX might be attributed to less acidic hydrogen atoms in [YGGFL+Na]+ according to the charge and proton affinity calculated. The different conformations of leucine-enkephalin with Li+, and K+ complexes were further investigated for comparison. The results of this work is significant in physiology.

Speaker
Biography:

V. A.  Krylov, Doctor of Chemistry, Professor, Head of the Division of Analytical Chemistry of the Nizhny Novgorod State University. The main direction of scientific research of Professor Krylov is the development of the theory and applications of chromatography, chromatography–mass spectrometry for the analysis of high purity substances, including monoisotopic compounds, environmental objects and for the development of methods of the micropreconcentration of impurities. The attained detection limits for molecular impurities constituted 10–6 to 10–11 wt % and hit a record low. He has published more than 200 scientific papers, including reviews on the analytical chemistry.

 

Abstract:

Esters of phthalic acid are very dangerous for human health. Their penetration into the organism leads to the occurrence of cancer, disease of liver, kidney, reproductive organs. Phthalates are very widespread toxicants. Their occurrence in wines is connected with the inflow from the plasticized polymer seals, plastic piping, tanks and stoppers. In this study the  high sensitive gas chromatographic-mass spectrometric determination of phthalates in low alcoholic beverages (champagne, red and white wine) coupled ultrasound-assisted emulsification-microextraction was  developed. As extractants environmentally friendly hydrocarbons - octane and n-hexane are proposed. The sources of possible systematic errors were investigated:   leaking of o-phthalates from chromatographic septum; contamination of phthalate in solvents; influence of macro components of wines; the hydrolysis of o-phthalates and others. For the first time it is shown that the impact of these factors can lead to an overestimation or underestimation of the actual concentration of impurities by 1-2 orders of magnitude. The methods of accounting or elimination of systematic errors are proposed. The content of phthalates in wines was 0.03 - 1 mgL-1. The largest concentrations are characteristic for diethyl-, di-n-butyl-  and di(2-ethylhexyl) phthalates. The limits of detection of esters of о-phthalic acid in low alcohol beverages achieved are at the level of 10-6–10-5 mgL-1 and are highly competitive with the best world results. The relative expanded uncertainty of the determination of toxicants of 13- 30%.

Ravinder Jit Singh

Division of Clinical Biochemistry and Immunology, Mayo Clinic, USA

Title: The future of hormone measurements
Speaker
Biography:

Abstract:

Until recently most of the phenotypic information on congenital endocrine disorders have relied on biochemical testing of steroids, biogenic amines and peptides but is now being combined with the molecular testing.  In spite of the mutational analysis of endocrine disorders the correlation of the phenotype relies more on biochemical testing than the molecular testing.  Immunoassyas have been the methodology of choice for the analysis of steroids and amines in making diagnosis of patients affected with Cushing’s, pheochrmocytoma and congenital adrenal hyperplasia (CAH).  But very often the results from the endocrine laboratory had to be repeated with the HPLC-extraction assays to rule out the possible cross reactivities of the glucocorticoids, steroid metabolites and drugs with the antibody detecting the analyte.   In the past the use of gold standard MS technology in the clinical diagnostic labs have been limited because of labor intensive extraction, sample preparations and chromatographic separations.  Recently the use of MS/MS (tandem MS) technology in liquid and gas chromatography has revolutionized the application of MS technology in clinical laboratories.  This is due to reduction in effort for extraction and chromatography and as a result has a scope for expediting the analysis of steroids, biogenic amines and peptides for the diagnosis of various endocrine disorders. We at Mayo have implemented this technology for the routine analysis of steroids, biogenic amines and peptides. These methods not only provide reliable results for endocrine disorders but also can be used as reference methods by other laboratories and accreditation agencies.  

Speaker
Biography:

Danuta Barałkiewicz teaches analytical chemistry at the Adam Mickiewicz University in Poznań and is the Head of the Department for Trace Elements Analysis by Spectroscopic Methods. She is an elected member of the Committee of Analytical Chemistry of the Polish Academy of Science. In her research, she applies advanced analytical techniques such as ICP-MS, HPLC/ICP-MS and LA-ICP-MS. She cooperates with representatives of various disciplines who are interested in environment, food, biology and medicine. She has been active in introducing metrology and chemometrics in analytical chemistry.

Abstract:

Multielemental  determination of five toxic species: As(III), As(V), Cr(VI), Sb (III) and Sb(V) in drinking water samples using high performance liquid chromatography hyphenated to inductively coupled plasma mass spectrometry (HHPLC/ICP-DRC-MS)technique was developed. Optimization of the detection and separation conditions was conducted. Dynamic reaction cell (DRC) with oxygen as reaction gas was involved in the experiments. Obtained analytical signals for species were symmetrical, as studied by anion-exchange chromatography. Applied mobile phase consisted of 3 mM of EDTANa2 and 36 mM of ammonium nitrate. Full separation of species was achieved in 15 min with use of gradient elution program. Detailed  validation of analytical procedure proved the reliability of analytical measurement. Obtained recoveries confirmed the lack of interferences’ influence on analytical signals as their values were in the range of 91%-110%. The applicability of the proposed procedure was tested on drinking water samples characterized by mineralization up to 7390 mg L-1

Alvhild Alette Bjørkum

Western Norway University of Applied Sciences, Norway

Title: Human Blood Serum Proteome - Changes After Sleep Deprivation
Speaker
Biography:

Bjørkum completed her PhD in Neurophysiology, University of Bergen, Norway in 1996. At present, she is Associate Professor at the Faculty of Engineering, Biomedical Laboratory Sciences Program, at Western Norway University of Applied Sciences in Bergen. Earlier positions; Research coordinator 2001, Department of Health, Bergen University Research Foundation (UNIFOB), Post doctor from The Norwegian Research Council. Visiting Associate Professor from March 1998-2000 at Department of Neurology, Harvard Medical School, Harvard University, Boston, USA and an Instructor and Research Fellow, Fulbright Foundation, Department of Psychiatry, Harvard Medical School 1995-1997. Research Fellow 1990-1995 Department of Physiology, Medical Faculty, University of Bergen

Abstract:

Introduction; Cell stress might be a consequence of Sleep deprivation (SD). Cellular stress might be reflected in changed protein profiles and amount and type of specific proteins in blood serum after SD. These possible changes might hints to SD-affected cellular structures, -mechanisms and important -signalling pathways. Methods; Humans (n=6-8) was subjected 6 hours of SD and blood were sampled before, during and after a SD-night, within subject design. Initially, Seldi-Tof-MS (Ciphergen), Maldi-Tof-MS (AutoFlex, Bruker Daltonics) was used. Later, iTRAQ labeled peptides were fractionated (mixed-mode fraction) and run on LC-MS/MS were fifty mix mode fractions from each iTRAQ experiment were analysed on an LTQ-Orbitrap Velos Elite (Thermo Scientific) connected to a Dionex Ultimate NCR-3000RS LC system. Result; In the first dataset protein-profile changes (in the m/z spectrum) after SD were searched for by principal component analysis (PCA, Sirius 7.0-PRS), support vector machine- and decision three-models analysing the mass spectrometry data and showed differentially expressed proteins after 6 h of SD at night. We identified approximately 800 proteins where 34 of them were significantly changed after 6 h of SD. Three proteins changed above the 1.5-fold limit. Examples are Histone H4 that increased 2.3-fold and S1006A that increased 1.5-fold. Conclusion; SD might lead to cell stress. This seems reflected in changed protein profile in human serum. To be able to ID changed proteins and their interactions might shed light on the cellular mechanisms, possible affected extracellular matrix and or cellular pathways of interest to identify underlying sleep and/or being disturbed after SD.

Speaker
Biography:

Gianluca Trifirò has completed his Master’s Degree in Analytical Chemistry from University ‘’Sapienza’’ of Rome (Italy). He is a  researcher at the laboratory of mycotoxins and immunoassays techniques of the Experimental Zooprophylactic Institute of Puglia and Basilicata Regions (Italy). He has published several papers in reputed journals.

Abstract:

The occurrence of harmful cyanobacterial blooms in surface waters is often accompanied by the production of a variety of cyanotoxins, and these toxins are designed to target in humans specific organs on which they act. When introduced into the soil ecosystem by spray irrigation of crops, they may affect the same molecular pathways in plants having identical or similar target organs, tissues, cells, or biomolecules. There are also several indications that terrestrial plants, including crops, can bioaccumulate cyanotoxins and present, therefore, potential health hazards for humans. During this project, for monitoring purposes, water samples were collected from lake Occhito, in which there was an algal bloom (Planktothrix rubescens) in 2009, and from three tanks which acted as hydraulic junctions. In addition, crop samples irrigated with water from the three tanks mentioned above were also picked. Finally, the characterization of principal cyanobacteria was performed, to determine the presence of cyanotoxins such as microcystins and validate a HPLC-ESI-MS/MS method for the determination of microcystins in water and vegetable samples.

Speaker
Biography:

Dr Chia-Wen Tsao is an associate professor in the Department of Mechanical Engineering, National Central University, Taiwan. He received his M.S. degree from the Department of Mechanical Engineering, University of Colorado at Boulder and his Ph.D. degree from the Department of Mechanical Engineering, University of Maryland at College Park. His research interests include micro/nano-fluidics, micro/nanofabrication, lab-on-a-chip devices, MEMS, and mass spectrometry technologies. He is the head of the Microfluidics and Microfabrication Laboratory, National Central University, Taiwan.

Abstract:

Nanoscale silicon technology have been used in many important applications such as high sensitivity surface-assisted laser desorption/ionization mass spectrometry (MS) material. The nanostructured silicon mass spectrometry (nSi-MS) is a matrix-free approach because the organic matrix in conventional MALDI-MS is replaced by the high surface-to-area ratio nanoscale porous silicon surface. An important issue in using nSi-MS analysis is the nSi chip preservation and stability. This is less detail reported in academic publications since all of the can be fresh-made before use. However, it may become critical issue if consider for commercial use. Storage of nanoscale silicon in room environment for a periods of time were found to have MS sensitivity decay. This was believed due to the silicon surface oxidation which limits the commercial products shelf life or the capability obtaining the optimum MS detection sensitivity unless the silicon surface was fresh-made. The most common way to reactive the surface is double etch in a hydrofluoric acid or buffered oxide etch to remove the oxide layer on the silicon surface. This procedure improves the MS detection sensitivity to a certain level. However MS sensitivity degrades from fresh surface. In this conference, we investigate the nSi surface performance under different preservation conditions. We also report a simple, environmental friendly hazardous reagent-free vacuum oven desiccation method to reactive and further enhance the nSi-MS performance. The nSi-MS signal intensity maintain with storage time. Other storage conditions like air, nitrogen will be report in the conference. 

Speaker
Biography:

Ivo Leito works as professor of analytical chemistry at Institute of Chemistry, University of Tartu. His main research directions are on the borderline of analytical chemistry with other disciplines: chemistry of superacids and superbases; metrology and quality assurance in chemistry (MiC); liquid chromatography and mass spectrometry; sensors and their metrological characterization; applications of instrumental 

Abstract:

The presentation gives an overview of the recently published two-part tutorial review on validation of liquid chromatography–mass spectrometry methods.The tutorial review presents the state of the art of method validation in liquid chromatography mass spectrometry (LC–MS), especially with electrospray ionization (LC-ESI-MS), and discuss specific issues that arise with MS (and MS-MS) detection (i.e. LC-MS-MS) in LC (as opposed to the “conventional” detectors). The review addresses and compares all the major validation guidelines published by international organizations: ICH, IUPAC, AOAC, FDA, EMA (EMEA), Eurachem, SANCO, NordVal and the European Commission Decision 2002/657/EC. With every performance characteristic the tutorial review briefly compares the recommendations of the guidelines, to a large extent on the basis of the experience of the authors. All important method performance characteristics are discussed. With each of them its essence and terminology are addressed, the current status of how to treat it is reviewed and recommendations are given, how to determine it, specifically in the case of LC–MS methods. A possible step by step validation plan specifically suitable Tutorial review on validation of liquid chromatography–mass spectrometry methods: Part I. A. Kruve, R. Rebane, K. Kipper, M.-L. Oldekop, H. Evard, K. Herodes, P. Ravio, I. Leito. Anal. Chim. Acta 2015, 870, 29-44. Tutorial review on validation of liquid chromatography–mass spectrometry methods: Part II. A. Kruve, R. Rebane, K. Kipper, M.-L. Oldekop, H. Evard, K. Herodes, P. Ravio, I. Leito. Anal. Chim. Acta 2015, 870, 8-28.

 

Speaker
Biography:

Professor Jin Ouyang received her Bachelor degree in Shaanxi Normal University, PR China and Ph.D. degree in Ghent University, Belgium. She is now working as a professor at Beijing Normal University, PR China. She is engaged in developing analytical methods based on mass spectrometry coupling to chromatography and electrophoresis, as well as applications of the methods to biological and pharmaceutical analysis. She received several Award such as the Chinese Female Analyst Award, China Association of Instrumental Analysis (CAIA) Award, and the State-level teaching famous teacher award. She published over 100 papers on peer-reviewed journals such as Anal. Chem., Adv. Funct. Mater., Chem. Commun., Nano lett., Small, etc.  

Abstract:

High-throughput screening (HTS) of protein-bound drugs and enzyme inhibitors is important for obtaining rapid understanding of drugs or enzyme inhibitors, which is significant in the developments of new drugs or mechanism studies in life science. Recently, ambient mass spectrometry has been applied for the rapid detection without sample pretreatment, which has potentials in real-time monitoring or high-throughput screening. In our group, several works on high-throughput screening of protein-bound drugs and enzyme inhibitors have been employed using ambient mass spectrometry. Firstly, we developed a rapid screening method for the detection of protein-bound small molecules using desorption electrospray ionization mass spectrometry (DESI-MS) [1]. The mechanism study on the interaction between DNA topoisomerase and inhibitors of camptothecin was carried out, and the relative binding strength was determined. Subsequently, the rapidly detection of 21 small molecule drugs has been successfully achieved within 1.75 minutes, enabling the high-throughput screening. In addition, a house-made platform combining with DESI has been constructed for examining the affinity between candidate ligands and anion-binding sites protein α1-acid glycoprotein [2], and the detection of 45 samples have been finished in 2.3 minutes. To further improve the high-throughput detection, a self-made protein microarray was fabricated combing with DESI-MS, which obtained the high-throughput examination of matrix metalloproteinase-9 interaction with 88 drug molecules [3]. Furthermore, we used venturi easy ambient sonic-spray ionization mass spectrometry (V-EASI-MS) to monitor the binging affinity between drug and α1-acid glycoprotein in real time [4]. By combining V-EASI-MS with liquid microfluidic technology, the high throughput screening of enzyme inhibitor drugs was further developed with a good stability [5], which achieved the detection frequency of 1.5s / sample. Therefore, the ambient mass spectrometry were effective in the high-throughput screening or detection of protein-bound drugs and enzyme inhibitors, which would show potentials in drug industry or clinical diagnosis. 

Speaker
Biography:

Joanna Fiedor received her Ph.D. degree in Biochemistry at the age of 33 from the Jagiellonian University, Kraków, Poland. From 1997-1999 she worked at the Ludwig- Maximilians University (LMU) in Munich, Germany, and in 2002 at the Kwansei Gakuin University, Sanda, Japan. Currently, she is an Assistant Professor at the AGH-University of Science and Technology, Kraków, Poland. Her research interests are focused on natural biocompounds in relation to human health. 

Abstract:

Total reflection X-ray fluorescence spectrometry (TXRF) is one of the well-established spectroscopic techniques used for elemental profiling of variety of samples. Among its major advantages the extension of the detection limit to one part per billion, simplicity of sample preparation along with the need of only 10-6 to 10-9 g of the material, and, eventually versatility of application should be highlighted. Apart from a number of non-biological studies, TXRF has been successfully used in medical, pharmaceutical, nutritional and other biologically-derived quantification analyses. However, not much has been done on bacterial systems. One of the few examples might be the examination of the ionome of phototrophic bacteria. Purple non-sulphur bacteria constitute a unique group of “photosynthetic” organisms capable of adjusting their metabolism in response to alteration of environmental growth conditions (light intensity, oxygen pressure). Recently, purple bacteria have attracted considerable attention due to their potential in a range of scientific and industrial applications. In view of the lack of consistent and systematic information on their microelemental content, the aims of the recent study were to qualify and quantify trace elements present in intact cells, bacterial phototrophic membranes and selected photosynthetic structures as well as to gain information on their distribution and mutual correlation in response to change in oxygen growth conditions. Finally, usefulness and vast analytical potential of TXRF was verified and confirmed. 

Speaker
Biography:

Juliana Mozer Sciani has completed her PhD at the age of 28 years from University of São Paulo, Brazil. She is biologist, with masters on Pharmacology. She has been working on Biochemistry and Biophysics Lab, Butantan Institute, since 2012, on the discovery and development of new drugs from natural source. She is expert on the isolation and characterization of new molecules by mass spectrometry, as well as pharmacokinetics and drug stability, required steps for drug development. She has published more than 30 papers in reputed journals and serving as an editorial board member of repute.

Abstract:

The search for new drugs and discovery of new targets are being required for the treatment of diseases, as viruses, cancers and neurodegenerative disorders. The combinatory chemistry and rational drug design approaches have failed in the development of new molecular entity, and now the natural source has become an alternative to obtain new molecules, selected during years of evolution. The biodiversity in Brazil is rich, where we can explore it biochemically and take interesting compounds. Thus, our group prospects molecules from animal venoms and secretions using mass spectrometry (MS) techniques, in which we can perform fast screenings, analyse several samples, using few amounts. After MS approaches, we have selected marine animals and amphibians, which we could identify unknown compounds. Recently we identified one peptide from marine ray, Dasyatis americana, that inhibits the herpes virus infection and several other peptides with potential antibacterial and antitumor effect in sea urchins. Moreover, we found two molecules from a toad, Rhinella jimi, able to inhibit the rabies virus infection in in vitro and in vivo models. In order to complement the in vivo studies, we used MS techniques to study pharmacokinetics, as requisite of pre-clinical trials in drug development. Additionally, we developed a serum against bee venom (under clinical trials), after analysis of venom in several conditions and understanding of the best antigen for a better antibody. In conclusion, using MS tools for analysis and screening we can obtain interesting molecules from nature, able to act on biological system and become a drug.

Speaker
Biography:

Julien Keraudy was born in Brest, France, in 1989. He received the M.Sc. degree in physics and the Magister science from the University of Rennes, Rennes, France, in 2012, and the Ph.D degree in physics from the University of Nantes, Nantes, France in 2015. He is currently a Post-Doctoral Fellow in the division of Plasma & Coatings physics, Department of Physics, Chemistry and Biology (IFM), Linköping University, Sweden, where he is involved in plasma diagnostic and growth of thin films deposited by HiPIMS discharge.

Abstract:

High power impulse magnetron sputtering (HiPIMS) is a new method for physical vapor deposition (PVD) based on magnetron sputtering. It utilizes transient impulse (short pulse) glow discharges with very high power and current density (up to 3 kW cm-2 and 4 A cm-2 respectively at a duty cycle of < 5%). Under these conditions the plasma density near the target increases sufficiently to ionize a significant proportion of the sputtered metal ions thus creating a high-efficiency metal ion source. Compare to conventional processes, HiPIMS discharges give increased possibilities to use ionized the metal flux for bombardment but have also demonstrated to be an elegant solution for controlling the chemical composition, energy and trajectory of the ion current arriving at the film growth surface. This fine control of the metal ion flux has found plenty of applications for cutting tools, especially for deposition on complex geometries, enhancement of the adhesion between coatings and substrates, enhancement of the optical films properties, substrate pre-treatment for anti-corrosion coatings, and more recently for the low-temperature epitaxial growth of nitride coatings on MgO substrates. These achievements have mainly been possible thanks to a detailed comprehensive study of the plasma-surface interaction phenomena, especially at the plasma-growing film interfaces. Among the most common plasma diagnostic methods, mass spectrometry is proven to be a powerful tool to monitor the ion dynamics in HiPIMS discharges by examining the ion energy distribution function (IEDF). Through the presentation of different examples of innovative coatings as well as low-temperature epitaxial growth, the benefits of mass spectrometry in highly ionized plasma will be presented.

Speaker
Biography:

Lingzhi’s general research interests include mass spectrometry based analysis of small molecules and biomolecular molecules (nucleic acids, peptides, proteins) through hyphenated to a chromatographic method (mainly liquid chromatography), and research into chromatographic retention mechanisms. His current work focuses on characterizing single- and double-stranded DNA/RNA, and protein/peptide - DNA crosslinking complex using hyphenated liquid chromatography and electrospray mass spectrometry (LC-ESIMS). Lingzhi currently runs Core Mass Spectrometry Research Facility at Queen Mary University of London.

Abstract:

Synthetic oligonucleotides are widely used in the polymerase chain reaction (PCR) as DNA primers or in molecular biology as probes to screen for diseases, viral infections, and to identify genes. Sensitive and selective methods have always been demanded for the characterization of oligonucleotides, especially, when the oligonucleotides are applied as therapeutics. Ion-pair reversed-phase (IP-RP) liquid chromatography has been commonly used for the analysis of oligonucleotides, but ion suppression is a major problem when coupling with electrospray mass spectrometry (ESI-MS). Although the introduction of hexafluoroisopropanol (HFIP) in the mobile phase has improved MS detection sensitivity of oligonucleotides, this mobile phase system results in a severe problem with adducts formation particularly if large oligonucleotides are analysed. An alternative chromatographic approach, hydrophilic interaction liquid chromatography (HILIC), was recently employed for the analysis of oligonucleotides. It provided enhanced MS sensitivity with fewer adducts but lacked chromatographic resolution for some oligonucleotides. Here we improve chromatographic resolution whilst maintaining MS sensitivity by adding an ion-pairing reagent, triethylammonium acetate (TEAA), into the HILIC mobile phase. The IP-HILIC approach produces lower retention capacity and has the added benefit of providing simpler MS spectra, with fewer charge states, when comparing with HILIC. We suggest a mechanism for ion-molecule interactions in IP-HILIC.

Speaker
Biography:

Mariane Gonçalves Santos was born in Formiga (Brazil) in 1986. She studied Pharmacy in Alfenas and chemistry in Três Corações (both Brazil). Her PhD studies were performed at the Federal University of Alfenas (Brazil) where she currently works as postdoctoral researcher lead by Prof. Eduardo C. Figueiredo. Her research focuses on the synthesis and characterization of molecular imprinted polymers and their application in sample preparation for the analysis of organic compounds from biological samples, and on the development of new methods by using chromatography and mass spectrometry techniques for identification and quantification of these compounds. 

Abstract:

Tricyclic antidepressants (TCAs) have been used to treat depression disorder symptoms. Many sample preparation strategies have been used for the analysis of TCA in human plasma, however they are either poor in selectivity or require protein elimination pre-treatment. A new class of hybrid materials, called restricted access molecularly imprinted polymers (RAMIPs), seems to be an alternative to circumvent these problems. RAMIPs join good protein elimination capacity and high selectivity. Mass spectrometry (MS), equipped with electrospray ionization at atmospheric pressure and triple quadrupole, has been successfully used for polar drug identification/quantification. To combine the advantages of both RAMIPs and MS, we proposed a study that joins these properties in a single system, where we analyzed TCAs from human plasma without offline extraction or chromatographic separation. A RAMIP for amitriptyline was synthesized by the bulk method, using methacrylic acid as a functional monomer and glycidilmethacrylate as hydrophilic co-monomer.  After the epoxide rings openings, the polymer was covered with bovine serum albumin (BSA). A column filled with RAMIP-BSA was coupled to a MS/MS instrument in an online configuration, using water as loading and reconditioning mobile phase and a 0.01% acetic acid aqueous solution: acetonitrile at 30:70 as the elution mobile phase. The system was used for on-line extraction and quantization of nortriptyline, desipramine, amitriptyline, imipramine, clomipramine and clomipramine-d3 (IS) (from 15.0 to 500.0 μg L-1) simultaneously, from human plasma samples. The correlation coefficient was higher than 0.99 for all analytes and suitable precision and accuracy were obtained. 

Speaker
Biography:

Yuliya E. Silina has a doctorate in Analytical Chemistry. She is a principal investigator of a research team focusing on developments in microfluidics, test-methods of analysis, drug discovery, bio- and environmental sensing at Leibniz Institute for New Materials (Saarbrücken, Germany). She has published more than 30 papers in reputed journals and holds 11 patients for her inventions. 

Abstract:

The developments within nanomaterial technology since almost 20 years caused an increased research output in many application fields including surface assisted laser desorption/ionization mass spectrometry (SALDI-MS). The study of the key parameters impacted SALDI-MS is of broad interest in the field of forensics, drug discovery, bio- and environmental analysis. Unfortunately, SALDI-MS still remains in some ways a kind of art due to multiple factors affecting desorption/ionization processes. Here we demonstrate how fundamental physicochemical parameters of materials such as conductivity, restructuring effects, surface acidity/basicity, morphology and thickness, light absorbance and presence of reagent ions impact the ion formation in atmospheric pressure laser desorption/ionization mass spectrometry (AP-LDI-MS). In addition, we will show how certain physical properties of the targets determine the crystallization properties of the analyte that eventually leads to the modified LDI-signal. Our findings were independently supported by means of Raman spectroscopy, Scanning Electron Microscopy, Transmission electron microscope, UV-and X-ray diffraction analysis. The obtained knowledge was applied for the synthesis of nanostructured targets for SALDI-MS allow profiling of regular and skimmed lactose-free milk samples without conducting the complex sample pretreatment and routine separation. The simplicity of this LDI-MS approach holds an excellent potential in applied research as a rapid instrument for efficiency/completeness of technological process control or detection of milk adulteration.

Nguyen Xuan Truong

The University of Manchester, United Kingdom

Title: Spectroscopy of small doped silicon clusters
Speaker
Biography:

Dr. Nguyen Xuan Truong earned his PhD in 2011 with Prof. Meiwes-Broer at the University of Rostock in Germany. He then joined the XUV science group of Prof. Vrakking at the Max-Born Institute in Berlin. In 2013, he moved to the TU Berlin as a project leader studying silicon containing clusters. In 2016, Dr. Truong was appointed as a research fellow of the Dalton Nuclear Institute in Manchester. His current research interests include coherent diffractive imaging, laser-enhanced ionization spectroscopy, and time and angular resolved photoemission spectroscopy of metal surfaces and interfaces.

Abstract:

Doping Si clusters changes their physical and chemical properties in a way that might be promising for the miniaturization trend towards nanoelectronics and nanophotonics. Here, we investigated Si clusters doped with C, B and N with resonant infrared-ultraviolet two-color ionization (IR-UV2CI) and global optimization coupled with electronic structure methods. Doped Si clusters are irradiated with tunable IR light from a Free Electron Laser before being ionized with UV photons from an F2 laser. Resonant absorption of IR photons leads to an enhanced ionization efficiency for the neutral clusters and provides the size-specific IR-UV2CI spectra. Structural assignment of the clusters is achieved by comparing the experimental IR-UV2CI spectrum with the calculated linear absorption spectra of the most stable isomers. Low-energy isomers are found with genetic and basin-hopping algorithms. For Si𝑚C𝑛 (with 𝑚 + 𝑛 = 6), we observed the systematic transition from chain like geometries for C6 to 3D structures for Si6. We showed for the first row doped Si6X (with X = Be, B, C, N, O) clusters that different structures, vibrational and electronic properties can be achieved depending on the nature of the dopant atom. All dopant atoms in Si6X have a negative net charge suggesting that Si atoms act as electron donors within the clusters. Finally, novel methods to characterize materials based on the high-order harmonic generation XUV sources will be briefly introduced.

Speaker
Biography:

Nives Galić was born in Zagreb, Croatia where she graduated from the Faculty of Science, University of Zagreb, with a B.Sc. degree in Chemistry (1992); received a Mr. Sc. degree (1995) and a Ph.D. degree in Analytical Chemistry (1999). In 2011 she was elected to the position of Associate Professor and become the Head of the Division of Analytical Chemistry. She has published over 30 papers which have been cited over 700 times. She was supervisor of 25 diploma thesis and two PhD theses (+ 6 in progress). She is a leader of the project funded by Croatian Science Foundation (IP-2014-09-4841). 

Abstract:

The application of electrospray tandem mass spectrometry (ESI MS/MS) in organic analysis, as well as in pharmaceutical industry, will be presented and discussed on several examples as follows:

1. Structural isomers of aromatic hydrazones derived from nicotinic acid hydrazide were identified due to comprehensive study of their fragmentation pathways. Isomers derived from 3- and 4-hydroxy salicylaldehyde, as well as those derived from 3- and 5-chloro salicylaldehyde were distinguished due to "ortho effect". The MS/MS spectra and fragmentation pathways of compounds derived from 3- and 4-methoxy salicylaldehyde differ due to enolimino-ketoamino tautomeric interconversion of one isomer.

2. Peptidocalixarenes bearing tryptophan, phenylglycine and leucine at the lower rim and their complexes with alkali-metal (Li+, Na+, K+, Rb+, Cs+) and selected lanthanide cations (La3+, Ce3+, Eu3+, Yb3+) were analyzed by ESI MS/MS. The results of MS analysis were in accordance with those obtained by other techniques (spectrophotometric, potentiometric, and conductometric titrations). The MS/MS experiments could be used as fast and sensitive method for prediction of relative stabilities of calixarene complexes with metal ions.

3. Bivalirudin, a synthetic oligopeptide, is used as anticoagulant for patients with acute coronary syndromes or patients undergoing percutaneous coronary intervention. Forced degradation studies were performed using acid, base, H2O2, heat and light exposure as recommended by the International Conference on Harmonization (ICH). An UPLC method with UV detection for determination of bivalirudin in the presence of its degradation products has been developed. However, for the identification of degradation products the 2D LC MS/MS system had to be used.

 

Speaker
Biography:

Dr. Sermin Tetik received her PhD degree from the Biochemistry Department, Faculty of Pharmacy, University of Marmara (Istanbul-Turkey). Currently, she is a proffesor at the same University. She has joined two research programmes as wisiting professor; one of them was at Pharmacology-Pathology Depatrment of the School of Medicine at Loyola University, Chicago and the other one was at Florida Cancer Research Institute of Florida University, Orlando, USA. Dr. Tetik heads her research group which have focuses on thrombosis–hemostasis, proteomics, biomarkers and modified protein structure/function on different diseases. She has published  over 40 scientific articles and over 40 international abstracts in reputed journals, several book chapters, and gave many invited lectures. She has served as editorial board member of reputed journals,  she has received several awards and honors. 

Abstract:

Today, coronary arterial disease (CAD) is a prominent cause of death in developed and developing countries. It is known that CAD is more prevalent in Turkey than in Western countries and it appears that this rate of prevalence is likely to increase in the coming years. Atorvastatin, which is a drug, is a 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase inhibitor, which limits the rate of cholesterol biosynthesis. Paraoxanase 3 (PON3) is related to high density lipoprotein (HDL) and it has been suggested that it protects low density lipoprotein (LDL) against oxidation. Paraoxanase 3 activity in human blood plasma is considered to be an adequate biomarker for tracking premature atherosclerosis but it has not yet been used in any official method for tracking atorvastatin which reaches systematic circulation and stimulates PON3 activity. In our experimental model, we aimed to characterize of PON3 activity in human blood with atorvastatin (AT) as a substrate and its metabolite, hydroxyacid atorvastatin (HAT). We used a modified method steming from different methods. Patients with atherosclerosis were divided into two subgroups as pre- and post-operation. Blood samples were collected from patients with atherosclerosis who took atorvastatin (20mg/day). Separation of AT and HAT was evaluated on an liquid chromatography (C18) column. This study reports an accurate, sensitive and reliable liquid chromatographic method for the determination of atorvastatin and its metabolite, HAT, which, to our knowledge, constitutes the first in vivo approach in the literature.

Speaker
Biography:

Miho TANAKA completed PhD at the age of 28 years from The Tokyo University (Tokyo, Japan). She is specialized in Analytical Chemistry, Solution Chemistry and Mass spectrometry. Presently, she is actively involved in “chemical speciation” in solution, as well as other topics. She has published more than 70 papers in peer reviewed journals, and is the corresponding author in 90% of them.  

Abstract:

Laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) has been used for the quantitative elemental imaging of ferromanganese nodules to obtain the distributions of both major and trace elements, owing to its high sensitivity and wide dynamic range. In our study, data treatment system was developed for the quantitative imaging of elements in ferromanganese nodules. For obtaining a calibration line, a signal of Mg was monitored as an internal standard for correction. The validity of the values determined by LA-ICP-MS was confirmed by comparison with elemental contents obtained by ICP-MS. A two-dimensional plotting system for LA-ICP-MS was established for expressing elemental contents as colors along with spatial information. The simple method describes the ease with which the colors can be changed to define the content ranges of elements, and the elemental distributions show the layered structure, clearly depicting the contrast. Reproducibility of these analytical processes was also confirmed by analyzing two ferromanganese nodules. The method is expected to be a powerful tool for investigating paleo-environmental changes in the region surrounding a ferromanganese nodule and its formation processes.

 

Pedro José Sanches Filho

Instituto Federal de Educação Ciência e Tecnologia Sul-rio-grandense, Brazil

Title: GC/MS application in the determination of lipids in archaeological artifacts samples
Speaker
Biography:

Dr Pedro José Sanches Filho graduated in Full Degree in Chemistry and graduate in Pharmacy (1988), master's degree in Chemistry from the Federal University of Rio Grande do Sul (1997) and a PhD in Chemistry from the Federal University of Rio Grande do Sul (2002) and post doctorate from the Nova University of Lisbon (2007). He is currently Professor and Researcher at the Federal Institute of Education, Science and Tecnolgia sul-rio-grandense, leader of the Research Group on Environmental Contaminants. 

Abstract:

The connection of chemistry as a science with conservation-restoration and historical research of cultural property is of great importance, that because these materials (artifacts, buildings, etc.) are able to store chemicals that allow information both cultural aspects (actions anthropic) as non-cultural (vegetation, and others). The necessity of methods to extract, identify and quantify chemical compounds stored in archaeologies samples such as ceramics, accurately and precisely, makes the gas chromatography coupled to mass spectrometry (GC/MS) to appear as an important analytical tool. This work aims at the optimization methodologies by GC/MS for characterizing lipids found in archaeological artifacts (ceramic fragments) obtained in Cerritos located in the Pampa biome, in the southern portion of the Patos`s lagoon, southern Rio Grande do Sul-Brazil. The methodology is based in a solvent extraction of lipids under ultrasound, clean up by micro silica column and derivatization with MSTFA (N-methyl-N-trimethylsilyltrifluoroacetamide) and analysis by GC/MS. A better characterization, with clarification of several isomeric structures, was obtained in 4.0 g of sample and 30.0mL eluent (CHCl3:CH3OH 2:1 v/v)during the passage in the micro-column with silica. The study allowed us to optimize the methodology for extraction, clean up, pre concentration, identification and quantification of lipid compounds (fatty alcohols, fatty acids, triglycerides) in samples of ceramic artifacts, and identify contamination in the samples in the stages of collection and storage. The results obtained from this method will enable a more accurate and precise correlation between chemical data and the behavior of indigenous pre colonization cultures.

Speaker
Biography:

Alberto Fontana completed his Master of Science in Chemistry from University Autónoma of Madrid. He joined Janssen Research & Development (Spain) in 1998. Since 2001, he works as Scientist in the Analytical Sciences Team. He is focused on analytical LCMS, GCMS and on preparative LC, developing new methodology for Medicinal Chemistry groups, mainly within Neuroscience area. He is currently doing his PhD studies at University of Alcalá de Henares, Madrid. He is the main author of 1 publication and co-author of another 5 papers. He has presented several posters with his research work on LCMS at different international congresses.  

Abstract:

The need of a continuous productivity increase in the pharmaceutical industry motivated the development of new Open-Access tools on many analytical techniques [1-5]. On LC, these platforms have been commonly used with low-resolution MS detectors while they have been reported with very limited automation on high-resolution MS spectrometers [6]. Typically, samples with concentration ranges around 0.1 mg/mL are prepared by medicinal chemists for reaction monitoring and for UV purity assessment. Together with the evolution of the instrumentation, new software packages to automatically process HRMS data have appeared [7, 8]. These systems are typically run by specialists and developed for biological samples with compounds in concentrations of µg/mL range.  In this work, the development of a Fully Automated Open-Access methodology on a UHPLC-DAD/ESI-QTOF system is reported, being applied to medicinal chemistry discovery projects from Janssen R&D. With the first MS conditions applied, accuracies < ±1 mDa were not achieved in 20-30% of the cases in ESI+ due to oversaturation. After optimization of MS conditions, a new ESI+ method was implemented. This method has been used by chemists for more than 2.000 compounds from structurally diverse chemical series with a success >98% in exact mass determinations. For the other 2 % of the samples, specific conditions are used. Upon training, chemists log-in samples and interpret the results by themselves in 90-95 % of the cases. To our knowledge, this the first time that this Full Automation has been achieved for an Open-Access LC-DAD-HRMS platform developed for end-users in a pharmaceutical environment.

Speaker
Biography:

Organic micropollutants are continuously introduced into the environment, being not completely removed during wastewater treatment and found at trace concentrations (ng/L─µg/L) in receiving water bodies, which might be sources for drinking water (DW) supply, bringing possible consequences for public health [1]. In the particular case of the European Union (EU), some regulations on water pollution have been published in the last years, namely Directive 39/2013/EU [2] identifying 45 priority substances (PSs) to meet the protection of the aquatic compartments and the human health. More recently, a Watch List of contaminants of emerging concern (CECs) for EU monitoring in surface water bodies was defined in the Decision 2015/495/EU [3]. An eco-friendly analytical method based on offline solid phase extraction followed by ultra-high-performance liquid chromatography coupled to tandem mass spectrometry (SPE-UHPLC-MS/MS) was developed for the simultaneous determination of 21 pollutants in DW: 7 pesticides, 1 industrial compound, 12 pharmaceuticals and 1 metabolite, some of them defined as PSs in the Directive 2013/39/EU or CECs included in the recent Watch List of Decision 2015/495/EU. A widespread occurrence was verified at ng/L levels in DW samples from different sources (tap, wells and fountains) and locations of North of Portugal, but the estimated hazard quotients suggested no adverse effects to humans.

Abstract:

Dr Ana Rita Ribeiro has a strong expertise in analytical chemistry and environmental monitoring and policy, and relevant skills in the field of water treatment by advanced processes. She initiated a new research line at Laboratory of Separation and Reaction Engineering - Laboratory of Catalysis and Materials (LSRE-LCM), Faculdade de Engenharia da Universidade do Porto, implementing analytical methodologies to determine organic pollutants at residual concentrations in environmental samples using UHPLC-MS/MS to identify transformation products. She is author/co-author of 30 original publications, including peer-reviewed scientific journals and books, as well as the 45 oral and poster communications in both national and international conferences. 

Speaker
Biography:

Dr. Yi-Ting Chen received her Ph.D. degree in Department of Chemistry from the National Tsing Hua University, Taiwan. From September 2007, she worked at Molecular Medicine Research Center of Chang Gung University (CGU) with focusing on urinary protein biomarker discovery. Being an assistant professor in Department of Biomedical Sciences of CGU since 2013, Dr. Chen’s research interests focus on proteomics, metabolomics and systems biology of urological diseases and advanced method development for detection of disease-associated biomolecules, primarily based on mass spectrometry. Dr. Chen participates in several integrated research programs and serves as an investigator for translational application of omics studies.

Abstract:

Bladder cancer is potentially lethal and is a costliest urological malignancy to manage. Base on the morbidity and mortality, diagnosis and treatment of the cancer are important issues for the better clinical practice. To discover potential biomarkers of bladder cancer, we employed a strategy combining isotopic labeling and LC-MS/MS analysis to profile proteomic changes in secretome, clinical urine, urine microparticles, and fresh-frozen bladder tumor specimens. Seven differentially-expressed proteins have been selected as potential biomarker candidates for verification by immuno-assays or multiple-reaction-monitoring MS in more clinical specimens. Overall, the urinary concentrations of the classical plasma proteins or acute phase proteins show the best AUC values for discrimination between age-matched control and bladder cancer patients. Proteomic analysis of urinary microparticles reveals strong association of TACSTD2 with bladder cancer. TAGLN2 shows the most significant overexpression in bladder cancer tissues and might be a useful molecular tumor marker for evaluating bladder cancer lymph node metastasis. Urinary TAGLN2 also represents a potential biomarker for non-invasive screening of bladder cancer. Our findings highlight the value of integration of multiple clinical proteomes in providing valuable information for protein origin, specificity and application for future validation studies of potential biomarkers in bladder carcinoma.

Speaker
Biography:

Xiaodong Zhang completed his PhD in physics from La Trobe University in 1994. He has been working in noble gas mass spectrometry for 20 years. He is currently working in the noble gas laboratory at the Research School of Earth Sciences in the Australian National University. He has expertise in mass spectrometry, ultrahigh vacuum technology and laboratory automation. 

Abstract:

The Helix MC Plus noble gas mass spectrometer manufactured by Thermo Fisher Scientific is a 350 mm sector, 120 degree, extended geometry, high resolution, multi-collector mass spectrometer for simultaneous acquisition of noble gas isotopes.  The Helix MC Plus installed at the Australian National University (ANU) is unique in that it is equipped with three high resolution collectors with 0.3 mm defining slits on the axial (Ax), the high mass (H2) and the low mass (L2) detectors. In contrast, the H1 and L1 detectors are equipped with low mass resolution 0.6 mm collector slits. High mass resolution (>1,800) and mass resolving power (>9,000) achieved with the high resolution collectors make this mass spectrometer unique in analysing noble gas isotopes. It provides the capability to measure isobaric interference free noble gas isotopes in a multi-collector mode, which significantly improves the accuracy to determine isotopic ratios and greatly increases the efficiency of data acquisition. These features will be summarised in the presentation. The Helix MC Plus mass spectrometer at ANU is equipped with four movable detector modules, allowing the four detector positions (H2, H1, L1 and L2) to be adjusted. In order to measure a full suite of noble gases automatically from He to Xe, it is necessary to implement automation of detector positioning for each of noble gas element. This presentation will provide the details of the development of the detector automation currently carried out at ANU, including development of the motorised cup actuators, controller and the software.

Speaker
Biography:

Abstract:

Recent reports demonstrating one third cases of Alzheimer’s disease progressing very rapidly, mimicking prion-based Creutzfeldt-Jakob disease (CJD) and are misdiagnosed. Altered cerebrospinal fluid biomarkers and neuropathology features give some indications, however, still there has been no quantitative study depicting risk factor contributing the fast progression and rapid decline of cognition in AD. In combination with affinity enrichment and high-resolution label free Q-TOF LC-MS/MS analysis, we quantitatively analysed globe wide proteome alteration in thirty cortical brain samples with rapid (rpAD) and slow progressive AD (spAD). A conservative approach of selecting only the consensus results of four normalization methods were suggested and used. Furthermore, we verified differentially expressed proteins at transcriptional and translational level. A total of 79 proteins were shown to be significantly differentially abundant (p-values<0.05, corrected for multiplicity of testing) in rpAD and spAD versus control brain samples (Ctrl). Forty eight proteins were specifically showed different levels specifically in rpAD subjects. Interestingly, in our rpAD dataset selectively, we identified an altered expression level of proteins involved in metabolism of glucose leading to disrupted ATP energy production. We substantiate that the aberrant metabolic networks are a specific phenotype of brain with rapid decline and fast progression of AD.

Speaker
Biography:

Dr. Tiejie Wang earned her PhD in 2007 in pharmaceutical analysis at Shenyang Pharmaceutical University  and be a visiting scholar in 2009 at Hong Kong University of Science and Technology. Now she is the deputy director of Shenzhen Institute for Drug Control (SZIDC). Her primarily working areas are the quality assessment of the traditional Chinese medicine (TCM) by chemical pattern recognition techniques, drug quality standard research, effective substances and quality standard of TCM. She is also the member of 10th Chinese Pharmacopoeia Commission, adjunct professor and doctoral supervisor of Shenyang Pharmaceutical University. More than 100 papers have been published and 12 patents have been authorized.

Abstract:

Gleditsiae Spina (GS, Zaojiaoci in Chinese), the thorn of Gleditsia sinensis Lam., is used as an anti-inflammatory, anti-tumor and antibacterial drug for hundreds of years in China and Japan. It is known that the main active constituents is flavonoid, however, there has been no specialized study on quantification the active constituents. The study was aimed at evaluating the contents of active flavonoids in GS, and laying a foundation for its further researches. In this study, we developed a method using high-performance liquid chromatography coupled with electrospray ionisation tandem mass spectrometry for determining 8 active flavonoids constituents: taxifolin, quercetin, quercitrin, rutin, isoquercitrin, dihydrofisetin, dihydrokaempferol, and eriodictyol in GS. Crude drugs of GS were extracted with 70% ethanol in ultrasound extraction. Chromatographic separation was performed on a Shim-pack C18 column (75 mm×2.0 mm, 2.2 μm) within 13 min. Gradient elution was applied using a mobile phase of 0.05% acetic acid/methanol with a flow rate of 0.20 mL/min. The detection was performed on a triple quadrupole tandem mass spectrometer by multiple reaction monitoring (MRM) mode via electrospray ionization (ESI) source. The method had good linearity (R2>0.9982), variations in the intra- and inter-day precision of all analytes were below 2.2%, and the accuracy was evaluated by a recovery test within the range of 99.6–101.9%. The method successfully quantified the 8 compounds in 34 sample batches of Gleditsiae Spina, and will be provide a new quality evaluation method for Gleditsiae Spina. 

Speaker
Biography:

Dr. Kim begun his career with Samsung in 1989. He led the analysis team of Samsung Cheil synthetics from 1990 and 2000 and the analysis group of Samsung Cheil Industries from 2001 to 2015. Now, Dr. Kim served in Samsung SDI and in charge of DQC (Development Quality Control) part in automotive division. Dr. Kim work for IEC TC111 WG3 as experts related to develop new method to enhance recovery yield and extraction efficiency of IEC 62321 part.7-2 (hexavalent chromium) since 2009. Dr. Kim holds a doctoral degree in analytical chemistry from the University of Dankook in Korea.

Abstract:

An organic-assisted alkaline extraction method was developed for the determination of hexavalent chromium (Cr(VI)) in polymers. The stabilization of polymer as a pre-step of the alkaline extraction provided good extraction efficiency of Cr(VI)) from the sample. The optimization of the experimental conditions affecting the extraction and UV-Vis spectrophotometric analysis was accomplished by the evaluation the recovery rate of Cr(VI) through the analysis of Cr(VI) in in-house polymer reference materials. Also, we developed THF (Tetrahydrofuran)-assisted alkaline extraction method to determine Cr(VI) in the presence of Sb(III). The developed method suppressed the reduction by the formation of  Sb(III)-THF adduct which was indentified by XRD, NMR and MALDI-TOF-MS. When applied to the in-house prepared reference polymers containing Sb(III), the method significantly enhanced the recovery to nearly 95 % from <3 % of the conventional extraction method. Low recovery of Cr(VI) due to the reduction to Cr(III) by Sb(III) has been an issue in the implementation of Regulation of Hazardous Substances (RoHS) directive. 

Yang Lu

State Key Laboratory of Kidney Diseases, China

Title: Screening new urine biomarkers of IgA nephropathy by proteomics
Speaker
Biography:

Dr.Yang Lu is a nephrology researcher in China PLA general hospital in Beijing of China. He gained his master degree in 2007 and doctor degree in 2010 from Chinese PLA Postgraduate Medical School. Dr. Lu works in Division of Nephrology of PLA general hospital for over 15 years and keeps research on the mechanism of mesangial proliferation. His main work focus on explore the molecular pathway in mesangial cell proliferation in the animal nephrology models by proteomics and genomics and published more than 30 papers in reputed journals. 

Abstract:

IgA nephropathy (IgAN) is one of the most common primary glomerular diseases and the main cause of chronic kidney disease(CKD) and end-stage renal disease in the world. In this study, we screened the protein profiles of IgA nephropathy by LC-MS/MS to find potential urine biomarkers for IgA. The second morning urines from Twenty-four IgA patients (20 to 50 years old) were selected,and thirty healthy people second morning urines between 20 to 50 years old were selected as control. Label free LC-MS/MS were performed to screen out differentially expressed proteins and ELISA was applied for validation. Total 317 differential urinary proteins were found in IgAN patients with 152 upregulated and 165 downregulated. GO analysis and pathway enrichment results showed that these differential proteins were mainly involved in lipid metabolism,blood coagulation and thrombosis,iron metabollism,activation of complement system,call adhesion,cell motility,calcium signal pathway and MAPK signal pathway. ELISA results confirmed that complement C3,Trasnferrin and ceruloplasmin were all increased significantly in IgAN group. More importantly, urine TF increased more than 100 times in IgAN groups, which could be served as pre-diagnosis marker and urine complement C3 was positively related to the 24-hour urinary protein quantity, which could be served as disease progression marker.  In conclusion, we explored the urine protein profiles in IgAN and screened two important potential biomarkers for IgAN: Transferrin and C3, which help to improve the diagnosis and therapy of disease.

Speaker
Biography:

Wang-Hsien Ding obtained his PhD in analytical chemistry in 1989 from the State University of New York at Albany, USA. He is currently the professor of National Central University, Taiwan. His research interests focus on the methods development for emerging contaminants detection in environmental, biota and food samples by various microextraction techniques coupled with GC-MS or LC-MS detection. He has published more than 80 papers in reputed journals. 

Abstract:

Due to thesuperior separation,high distinguishingpower and availabilityin most routine laboratories,GC-MS systemisafrequently used technique fordetectingorganic micropollutants in environmental, biota and food samples.To improve the GC chromatographic separationfor hydroxylated (polar) analytes, derivatization is typically usedto increase thevolatilityand to improve sensitivity.However, off-line derivatization is laborious and time-consuming. Injection port derivatization (IPD), also known as on-line derivatization, means that the derivatization reaction occurs in the hot GC injection port. IPD simplifies the sample preparation procedure, avoids the usage of extra experimental apparatus, reduces the amount of derivatization reagents and organic solvents, shortens the derivatization time, and increases derivatization efficiency and ensures more accurate quantitation. This studydemonstrated the feasibility of applyingsolid-phase extraction(SPE)coupled withion-paring injection-port derivatization(IP-IPD) GC-MSto detect phenolic endocrine disruptors in human urinesamples. Three commonly and most concern phenolic endocrine disruptors: bisphenol A,4-nonylphenolsand 4-t-octylphenol,were employed in the method development and validation of this study.The parameters affectingSPE andIP-IPDweresystematicallyinvestigated.Accuracy and precision were evaluated,and thesuitabilityof the methodfor the determination thetracelevelsof the targetanalytesin human urinesamples was demonstrated.

Speaker
Biography:

Dr. Anissa Bendjeriou-Sedjerari, Research Scientist at KAUST Catalysis Center (KCC, Director Pr. Jean-Marie Basset) was awarded a PhD in Materials Science from the University of Science and Technology of Montpellier (FRANCE)  followed by postdoc positions at CALTECH and Ecole Normale Superieure de Lyon. Her main topics are the Designs and Characterizations of Heterogeneous Catalysts (FT-IR, Solid State NMR Spectroscopy, DNP-SENS...) applied to the C-H/C-C cleavage and activation (alkanes/olefins metathesis), CO2 activation etc. Her broad research interests have been published in numerous international journals. Besides, she is an active member of the MEPEC (Middle East Process Engineering Conference and Exhibition). 

Abstract:

Heterogeneous catalysis is ubiquitous today and is central to solving many of the key problems facing chemistry including energy and environmental issues that contribute to a sustainable world. However, the main drawback is due to the multiplicity of active sites in terms of surface and bulk structure which makes it difficult to reflect the intrinsic efficiency of catalysts. The concept of “Catalysis by Design” requires the establishment of structure-activity relationship.[1] Surface Organometallic Chemistry (SOMC) thanks to its solid track record, provides a single-site strategy by creating well-defined surface organometallic fragments (SOMF) that are presumed to be part of the catalytic cycle. [1-3] To achieve this goal, the surface complexes need to be unambiguously characterized by advanced multi-dimensional solid-state NMR spectroscopy.[1-5] Recently, the sensitivity limitations encountered with the conventional solid state NMR spectroscopy have been overcome by the emergence of Dynamic Nuclear Polarization Surface Enhanced Spectroscopy (DNP-SENS) that requires the use of polarizing agent (radical nitroxide). [6-7] DNP-SENS can be now successfully applied to characterize highly sensitive SOMF in reasonable acquisition time. [8] By combining these essential and powerful spectroscopic tools, structure–activity relationships can be highlighted. 

Speaker
Biography:

Dr Raseetha Siva has completed her PhD from University of Otago, New Zealand. She is a Senior Lecturer at Universiti Teknologi MARA, Malaysia. She is diversified in the field of food chemistry, postharvest technology and mycology. Her current research interest is based of isolation of chlorogenic acid (CGA), a phenolic acid, which possess antioxidant and anti-inflammatory properties. Her on—going research regarding cytotoxicity level and lipid profiling of CGA extract exhibited no toxicity effect on 3T3-L1 cells and found to reduce the lipid accumulation in cells. She has 11 undergraduates and 2 postgraduates working under her.

Abstract:

Each year the agri-food industry produces millions of waste or by-products from crops which could be valorized for its bioactive compounds. High Performance Liquid Chromatography (HPLC) and UV-Vis Spectrophotometer were used as powerful analyzing tool. The aim of this study were to determine and compare the effect of different extraction methods on the availability of bioactive compounds i.e. total phenolic content (TPC), chlorogenic acid (CGA) content and antioxidant activity that was measured by Ferric Reducing Antioxidant Power (FRAP) assay and DPPH radical scavenging activity of coffee pulp (CFP) and cocoa pod (CCP). The extraction applied was solvent extraction (SE) and ultrasound-assisted extraction (UAE) method, both by applying 80% ethanol, for 2.5 hours at 40 °C. The UAE method gives higher value of TPC in CFP (6.285 mg/g) and CCP (4.808 mg/g), and higher antioxidant activity measured by FRAP assay for both CFP and CCP with value 3.508 mg/g and 2.454 mg/g, respectively. The SE method on the other hand gives higher but no significant different value of CGA content, 27.122 mg/g sample in CFP and 0.249 mg/g sample in CCP and higher antioxidant activity measured by DPPH radical scavenging assay in CFP (73.4275 %) and CCP (87.523 %). In comparison, the UAE method is more effective than SE as it can recover higher TPC, antioxidant activity (FRAP assay) and no significant different in CGA value compared to the SE method for both CFP and CCP sample.

Speaker
Biography:

Dr Yu Wang has completed PhD at 2003 from University of Auckland, New Zealand. She has published more than 150 papers with high citations (H-index 42) and is serving as an editorial board member of various international reputed journals.

Abstract:

Obesity is the major driving force for cardiovascular and metabolic diseases, the leading causes of mortality and morbidity in the aged population. Currently, 2.1 billion people – over 30% of the world’s population – are either obese or overweight. This lifestyle-related epidemic has become and will continue to be a major societal, medical and economic problem in established and emerging industrialized countries. Adipose tissue (fat) is the largest energy storage and endocrine organ in the body. Adipose tissue dysfunction is the major culprit for obesity-associated cardiovascular and metabolic syndrome and has emerged as a promising therapeutic target. Here, I will summarize our discoveries during the past 15 years of proteomics-based research on a number of adipokines, including adiponectin, lipocalin-2 and adipocyte fatty acid binding protein (AFABP). In particular, I will demonstrate how the proteomics-based bio-discoveries allow us to proceed with various therapeutic development based on the druggable domains/structures of these adipokines. 

Speaker
Biography:

Abstract:

Autoimmune Regulator (AIRE) is a gene associated with Autoimmune polyendocrinopathy-candidiasis-ectodermal dystrophy (APECED). AIRE is expressed heavily in the thymic epithelial cells and is involved in maintaining self tolerance through regulating the expression of tissue specific antigens. Testis is the most predominant extra-thymic location where a heavy expression of AIRE is reported. Homozygous Aire-deficient male mice were infertile, possibly due to impaired spermatogenesis, deregulated germ cell apoptosis or autoimmunity. We report that AIRE is expressed in the testis of neonatal, adolescent and adult mice. AIRE expression was detected in GFRα+ (spermatogonia), GFRα-/SCP3+ (meiotic) and GFRα-/PGK2+ (post-meiotic) germ cells in mouse testis. GC1-spg, a germ cell derived cell line, did not express AIRE. Retinoic acid induced AIRE expression in GC1-spg cells. Ectopic expression of AIRE in GC1-spg cells using label-free LC-MS/MS identified a total of 371 proteins which were differentially expressed. 100 proteins were up regulated and 271 proteins were down regulated. Data are available via ProteomeXchange with identifier PXD002511. Functional analysis of the differentially expressed proteins showed increased levels of various nucleic acid binding proteins and transcription factors and a decreased level of various cytoskeletal and structural proteins in the Aire over expressing cells as compared to the empty vector transfected controls. The transcripts of a select set of the upregulated proteins were also elevated. However, there was no corresponding decrease in the mRNA levels of the downregulated set of proteins. Molecular function network analysis indicated that AIRE influenced gene expression in GC1-spg cells by acting at multiple levels including transcription, translation, RNA processing, protein transport, protein localization and protein degradation, thus setting the foundation in understanding the functional role of AIRE in germ cell biology.

Speaker
Biography:

Prof. Mohamed Bouaziz has completed his PhD at the age of 29 years from University of Sfax, Tunisia and Kew Gardens, London UK. He is at High Institute of Biotechnology, University of Sfax, Tunisia, professor and director of a research team focusing on in Analytical chemistry and bioactive compounds from natural substances. His international experience includes various programs, contributions and participation in different countries for diverse fields of study. He has published more than 140 papers in reputed journals and serving as an editorial board member of repute.

Abstract:

Figs fruits and olive fruits and oil have been associated with numerous in vivo and in vitro biological activities and used for traditional medicinal purposes. However, Olea europaea L. by-products such as leaves, stems roots, stone, mill wastewater, as well as wood tree with Ficus carica L. organs are an untapped resource with little information about their chemical composition. To increase our knowledge about this topic, the phenolic and no phenolic constituents of Olea europaea L. and Ficus carica L. from various Tunisian cultivars were analyzed using reversed-phase (RP) high-performance liquid chromatography (HPLC) coupled to two detection systems: diode-array detection (DAD) and quadrupole time-of-flight (QTOF) mass spectrometry (MS) in negative and positive ion mode. Tandem mass spectrometry experiments were performed to establish the chemical structure of olive phytochemicals. UV-Vis absorption was a valuable tool for classifying phenolic compounds into families, while MS using electrospray ionization (ESI) and MS/MS allowed the molecular formula to be established and structural information to be obtained. As a result, a total of 109 phenolic compounds were characterized in the leaves, fruits, skins and pulps of Ficus carica from Tounsi, Temri and Soltani cultivars based on the results obtained by RP-UHPLC-DAD-QTOF-MS and MS/MS. In this regard, dihydroxybenzoic acid, dipentoside and rutin as relatively most abundant compound in leaf of all studied cultivars. In addition, 9 furanocoumarins were detected in the positive ionization mode, with psoralen, methoxypsoralen and oxypeudacin hydrate being the most relatively abundant. On the other hand, more than 85 compounds were characterized in the studied olive by-products. To the best of our knowledge, 70 compounds of the olive by-products and figs organs metabolites was reported in this study for the first time and  13 new structures were proposed.

Speaker
Biography:

Taghreed Fagieh is a PhD student in the final year at Chemistry Department, Loughborough University, UK. She is from Saudi Arabia working as a lecturer at Chemistry Department, King Abdulaziz University, Jeddah, KSA. She has been awarded a full scholarship to pursue her higher education in the UK.  

Abstract:

Oxidative stress is imbalance between oxidant and antioxidant levels in living systems. Human cells are protected from reactive oxygen species by endogenous enzymatic antioxidants. Most of these compounds require particular redox metals in their structures as cofactors to allow them to scavenge the free radicals such as Cu, Zn-SOD, Mn-SOD and catalase (Fe). This study aimed to quantify these elements as oxidative stress biomarkers in vitro in skeletal muscle cells (C2C12) which were incubated under hypoxia/hyperoxia conditions generated by varying oxygen level from 1%-60% for 24 and 48 hours. ICP-MS was applied to quantify Zn, Cu, Fe and Mn in cell populations. Their concentration increased dramatically in cells grown at 25%-60% O2, the most significant increase being 85% in Cu at 60%O2. None showed any increase at 5%-15% O2 indicating normoxia states. At 1%O2, all elements except Fe showed a significant increase and the most remarkable growth was in Mn by 33%. Interestingly, increasing incubation to 48 hours had differing effects on the elements. Zn and Cu concentrations were unaffected by increasing incubation time except at 60%O2 where they showed further growth. In contrast, Mn concentration grew sharply over oxygen levels of 30%-50% with no further effect at 1%, while Fe concentration decreased at 1%O2 and grew steadily over oxygen levels of 5%-60%. It can be concluded that all four elements were significantly affected by stress conditions applied to cells, but at different rates. Further work comparing these studies with single cell analysis using laser ablation-ICP-MS will also be reported.

Speaker
Biography:

Kazuya Takahashi has completed his PhD at the age of 28 years from University of Tokyo, Japan. He gas een major in analytical chemistry, especially mass-specgtrometry. He is a senior research scientist in RIKEN. 

Abstract:

We have developed a detection technology for trace elements, including their chemical complexes, based on an element analytical system using an electron-cyclotron-resonance ion source (ECRIS). An electron exhibits cyclotron motion in a magnetic field and is accelerated resonantly upon applying a high frequency. This phenomenon is called electron cyclotron resonance (ECR). ECR has been used as the ion source in accelerator facilities. We have focused our attention on the stability and high ionization efficiency of ECRIS (ECR Ion Source) and we employed ECRIS to customize a mass spectrometer to realize ECRIS mass spectroscopy (ECRIS-MS). Using ECRIS-MS, the following three applications were carried out. (1) Isotopic analyses of trace elements in geochemical or environmental materials. (2) Trace analyses of metal ions in biological or medical samples such as blood. (3) Monitoring of hazardous chemicals such as chemical warfare agents (CWAs) in the atmosphere. In particular, for applications (1) and (2), sputtering and laser ablation techniques has been also employed to assist sample introduction into the ion source without any complicated chemical procedures. These applications are expected to contribute to the environmental and biochemical research fields. For the monitoring of hazardous chemicals (3), a vapor sample is introduced directly into the ion source, and the molecular material was decomposed into elements using the electron cyclotron resonance plasma and ionized.  We will present details of the potential of ECRIS-MS for the detection and identification of trace elements in various environmental or biochemical samples.

Speaker
Biography:

Prof Purushottam Chakraborty is an ex- senior professor of Saha Institute of Nuclear Physics, Kolkata, India and an honorary professor of the University of Pretoria, South Africa. He is one of the leading SIMS experts of the world and has published more than 150 scientific papers and  numerous reviews and book-chapters . He has edited a book ‘ion beam analysis of surfaces and interfaces of condensed matter systems (Nova Science, New York). He was awarded the ‘most eminent mass spectrometrist of India’ in 2003.  
 

Abstract:

If alkali metals such as Li, Rb, K, Na, etc. (referred as A in general) are present in the neighbourhood of the probing element (M) on a sample surface, quasi-molecular ions can be formed by the attachment of these alkali ions [(MA)+ formation] in the secondary ion mass spectrometry (SIMS) process. Formation of these MA+ molecular ions has a strong correlation to the atomic polarizability of the element M. The emission process for the re-sputtered species M0 is decoupled from the MA+ ion formation process, in analogy with the ion formation in secondary neutral mass spectrometry (SNMS), resulting in a drastic decrease in the conventional ‘matrix effect’ in SIMS. Although the detection of MA+ molecular ions in SIMS has found its applicability in direct materials quantification, it generally suffers from a low useful yield. In such cases, detection of (MA)n+ (n = 2, 3, . . ) molecular ions offers a better sensitivity (even by several orders of magnitude), as the yields of such molecular ion complexes have often been found to be higher than that of MA+ ions. The recombination coefficient of MA+ or MA2+ molecular species depends on the electro-positivity or electro-negativity of the element M, respectively.  Apart from the surface binding energy of the respective uppermost monolayer, the changes in local surface work-function have often been found to play a significant role in the emission of these molecular ions. Although these MAn+ molecular-ion based SIMS has great relevance in the analysis of materials, a complete understanding on the formation mechanisms of these ion-complexes is still lacking. A procedure, based on MAn+-SIMS approach, has been proposed for the accurate germanium quantification in Molecular Beam Epitaxy (MBE)-grown Si1xGex alloys. The ‘matrix effect’ has been shown to be completely suppressed for all Ge concentrations irrespective of impact Cs+ ion energies. The methodology has successfully been applied for direct quantitative composition analysis of various thin film and multilayer structures. Recent study on various ZnO-based nanostructures has successfully been correlated to their photo-catalysis and photoemission responses. The talk will address the complex formation mechanisms of MAn+ molecular ions and potential applications of the MA+ - SIMS approach in chemical analysis of low-dimensional materials.

Speaker
Biography:

Professor Nour-Eddine ES-SAFI completed his PhD in organic chemistry in 1997 from Mohammed V University of Rabat, Morocco and postdoctoral studies at the French National Institute for Agricultural Research. He leads the Team of Organic Chemistry and the Physico-Chemical Studies at the Ecole Normale Supérieure, Mohammed V University of Rabat, Morocco where he is currently working as deputy director and a full professor. His research focuses on natural products, especially polyphenols, their structural elucidation, their antioxidant activity and their role in food technology and human health. He has published many research papers and he is reviewer for various international scientific journals. He is Editorial Board Member of various scientific journals and is Editor in Chief of the Green and Sustainable Chemistry journal.

Abstract:

Polyphenols are natural products which are recognized as one of the largest and most widespread class of plant constituents occurring throughout the plant kingdom. They are responsible for major organoleptic characteristics of plant-derived foods and beverages, particularly color and taste properties. Polyphenols have aroused considerable interest because of their potential beneficial biochemical and antioxidant effects on human health. Polyphenols show a great diversity of structures, ranging from simple molecules to polymers. They are also highly unstable compounds and can rapidly be transformed into various adducts when the plant cells are damaged, thus adding to the complexity of dietary polyphenol composition. Due to their great variety, their structural complexity and their high reactivity, the analysis of phenolic compounds is very challenging. Among the methods used for their analysis, mass spectrometry remains one of the important tools for their structural exploration. Its high sensitivity and the possibility of coupling liquid chromatography with mass spectrometry detection make of it a technique of choice for the investigation of complex mixtures like raw natural extracts containing polyphenols. With the development of soft ionization techniques, mass spectrometry has become a powerful analytical tool of polyphenols, polar, non-volatile, and thermally labile classes of compounds. In this presentation, application of mass spectrometry for the structural elucidation of natural polyphenols or their reaction products will be given. In particular analysis of flavonoids, oligomeric and polymeric procyanidins using electropsray (ESI), matrix-assisted laser desorption ionization (MALDI), and tandem (MS-MS) mass spectrometry will be also reported.

Speaker
Biography:

Dr. R.K. Vatsa did his M.Sc. (Physical Chemistry) from Delhi University and obtained his Ph.D. from University of Mumbai, India followed by postdoctoral research at Heidelberg University, Germany. He is currently Heading Structural Chemistry Section in Chemistry Division of BARC. He has published 150 research papers in internationally reputed journals. He is President of Indian Society for Mass Spectrometry (ISMAS) and an elected fellow of National Academy of Sciences (NASI), India.  

Abstract:

A nanocluster is a collection of atoms/molecules held together by weak van der Waals forces. These tiny balls of nanometer dimension are of great interest in physics and chemistry since the matter in nano form behaves differently than the bulk form. How do these nanoclusters behave as far as their interaction with a pulse of light is concerned, will be the subject matter of this presentation. It will be shown that nanoclusters, surprisingly, absorb large number of photons (hundreds to thousands per cluster) from the non-resonant optical field. Experimental results show that photoionisation of clusters using giga watt intensity laser pulses (l = 532 or 1064 nm) produces multiply charged atomic ions (as high as +8 state). The enormous amount of energy absorbed from laser pulse causes multiple ionisation of the constituent atoms/molecules. The presence of highly charged atomic ions being in close proximity leads to strong Coulombic repulsive forces and eventually the entire cluster undergoes violent disintegration known as Coulomb explosion. The end products of Coulomb explosion are multiply charged ions and energetic electrons as detected experimentally. The charge state of atomic ions and kinetic energy of electrons is higher in case of photoionisation by infrared photons as compared to UV-Vis photons. Further, a threshold cluster size is critical below which multiply charged atomic ions are not observed. The results have been explained based on the formation of nano-plasma by the leading edge of laser pulse (FWHM= 10 ns) which then interacts with the remaining portion of the pulse. The optical energy is coupled into the cluster by collisional heating of confined electrons inside the cluster. The large experimental data suggest that after initial multiphoton ionisation of atoms/molecules, secondary ionisation of cluster constituents is dominated by the energetic electron impact ionisation leading to multiple ionisation and concomitant effects.

Speaker
Biography:

Dr. Sanjeeva Srivastava is Associate Professor and group leader of proteomics laboratory at Indian Institute of Technology, Bombay. He obtained his Ph.D from the University of Alberta and post-doc from the Harvard Medical School in the area of proteomics, stress physiology and has specialized expertise in applications of data enabled sciences in global health, developing country and resource limited settings. Current research in this group centers on biomarker and drug target discovery and deciphering the protein interaction networks in complex human diseases (gliomas) and infectious diseases (malaria) using high throughput proteomics, protein microarrays and mass spectrometry. Dr. Srivastava is an active contributor to global proteomics science and innovation. He serves on the Council of Human Proteome Organization (HUPO) and Executive Committee of Proteomics Society, India (PSI). He had organized two successful conferences – PSI-2014 and Targeted Proteomics International Symposium in 2015. He has published three special issues as editor, “Proteomics in India” for Journal of Proteomics; “Proteomics Research in India” for Nature India and “Protein Arrays” for Proteomics. Having extensive teaching experience at IITB and experience of conducting proteomics courses at CSHL provided him with the background to increase proteomics education for the global community. One of his special contributions has been the development of e-learning resources (MOOC, Virtual Proteomics Laboratory). He continues to develop proteomics & omics science and innovation together with and for the next generation of keen students, researchers and the research and education commons in Asia and global OMICS community.

Abstract:

Glioma brain tumors arise from glial cells. Glioblastoma multiforme (GBM) is the most common and most malignant of the glial tumors. We have performed a comprehensive iTRAQ-based quantitative tissue proteomic analysis of gliomas and compared it with different controls, including other cancer samples as disease control to identify differentially expressed proteins in different groups of brain tumors. The iTRAQ-labeled peptides were fractionated using off-gel fractionation followed by LC-MS/MS analysis. Various metabolic pathways including fructose & mannose metabolism, spliceosome and aminoacid metabolism were found to be altered in GBM, medulloblastoma and meningiomas respectively. Proteins like CRYAB, GFAP, BASP1 and SNCA were found to be significantly altered in gliomas, where as VIM, RABP1, ANXA2 and SBP1 showed differential expression in meningiomas.  Protein biomarkers identified from discovery-phase were further validated using MRM-based quantitative approach. Targeted proteomics data was analyzed using Skyline and for each protein a minimum of 3 peptides with at least 3 corresponding transitions were used for quantification. The in-solution digested peptides from the tissue lysates were run on triple quadrupole mass spectrometry. This comprehensive mass spectrometry based quantitative and targeted proteomic profiling of brain tumors identified few potential markers and provided insights into tumor pathophsyiology.