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. 

Biography:

Yang Pan has completed his PhD at the age of 30 years from University of Science and Technology of China. He is an associated professor of University of Science and Technology of China (USTC), and the director of the Mass Spectrometry Division of National Synchrotron Radiation Laboratory (NSRL) focusing on the development of photoionization mass spectrometric techniques. He has published more than 50 papers in reputed journals.

Abstract:

Photoionisation mass spectrometry (PIMS) has become a prominent technique for many years. Owing to its favorable characteristics (i.e., softness, no polarity discrimination, and reduced ion suppression) in contrast with other available ionization sources such as electrospray ionization, PIMS has been widely adopted by scientists for many mass spectrometric applications. Recently, PIMS has been applied for the online analysis of the chemical components and their highly dynamic processes during pyrolysis and combustion of various fuels. Compared with traditional “hard” electron ionization methods for the gaseous components analysis, photoionization produces little or no fragments, making the identification and interpretation of complex ingredients in real-time possible.  In this work, both commercial available discharge Kr lamp and synchrotron radiation with high brightness and wide energy spectrum were used as light sources for on-line PIMS studies, at the mass spectrometric end station of National Synchrotron Radiation Laboratory (NSRL) of China. Our work are mainly focused on three aspects: (1) heterogeneous catalytic reactions, such as Fischer-Tropsch synthesis and oxidative coupling of methane. (2) pyrolysis/combustion of biomass, municipal waste polymers, and cigarettes. (3) fast qualitative and quantitative analysis of chemicals in complex matrices, such  as food, soil, and natural products.

Biography:

Abstract:

The new design of compact TOF mass spectrometer with laser ion source based on the wedge-shaped reflector is presented. For achievement of the best results during designing the instrument key problems are solved in two directions: 1) generation of ions; 2) separation by masses. Throughout the generation of laser plasma the differences in degree of ionization elements take place. This problem can be overcomed by choosing raised laser power density, that provides full ionization of all sample components, that are evaporated. Analytical signal is formed like a summing of single-charged and multi-charged ions. For levelling negative effects of wide spread by energy of ions the TOF analyzer with wedge-shaped reflector and integration mass spectrums in the total energy range is used. The proposed instrument is effective for analysis of solids and has extremely small overall dimensions. The detail project of mass spectrometer is analyzed, the key units are assessed. The competitive abilities in compare to spectroscopic analyzers are discussing.

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. 

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. 

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. 

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.

Biography:

Professor Chu’s group has been innovative in advancing the understanding of radical-mediated protein oxidation. Their pioneering studies of the molecular mechanisms of pathological processes under oxidative stress have extended to biophysical, bioanalytical, and biomedical applications and drug discovery. They have made many inroads implementing and applying new multidimensional liquid chromatography/mass spectrometric hardware for novel research purposes. A faculty member in the Department of Chemistry at the University of Hong Kong since 2002, Chu is an editorial board member for the Journal of the American Society for Mass Spectrometry, Journal of Mass Spectrometry, Mass Spectrometry Letters. His research into biological mass spectrometry has crystallized over 100 refereed articles.

Abstract:

Herein we report the propensity of radical migration and hence isomerization, or there lack of, in four tripeptide structures (FGW) that differ only in their initial radical locations: the π-system of Trp, the indole nitrogen, the α-carbon of Gly, and C-4 of the Phe ring.  These radicals were generated by well-defined means and examined using tandem mass spectrometry.  The π- and the N-radical centered on Trp interconvert after collisional activation; by contrast, the α-radical and the ζ-radical (on Phe) retain their distinctness even after collisional activation.  Density functional calculations reveal a relatively low (31.1 kcal mol^-1) barrier against interconversion between the π- and the N-radical, while interconversion between the α-radical and the ζ-radical exhibits much higher barriers, and these radicals will dissociate before they can interconvert.  This study illustrates the intricate balance between radical migration and dissociation as exhibited by the four isomeric tripeptide radicals.

Biography:

Abstract:

Although the phenomena of atomic collisions have been the subject of extensive research, much more can  be  learned  about  these  complex  and variant  processes.  Further experimental  and theoretical studies of ion-molecule collision will provide a better understanding of the atomic structure, collision phenomena, and molecular ion formation. The use of the 90o hemispheric electrostatic high resolution analyzer [1] in conjunction with time of flight techniques  allowed us to identify the various  events associated with charged ion- molecular  collision.  

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.

Biography:

Dr. Xinhua Guo received her PhD in 2004 from University of The Sciences, US. Currently, she is a full professor at the college of chemistry, Jilin University, P. R. China. Her researches are focused on the development of various methods for structural studies and assemblies of DNA strands, new matrixes and materials for sensitive MALDI-MS analysis and studies of peptide fragmentation mechanism. She has published more than 30 scientific articles and held 2 patents. She was a member of council of Chinese Mass Spectrometry Society (CMSS) from 2008 -2016.             

Abstract:

Several unusual peptide fragment ions including b_n-44, c_n and b_n+H₂O ions are initially observed in the MS/MS spectrum of a singly charged deuterohemine N-terminated peptide (DhHP-6, Deuterohemin-βAHTVEK-NH₂). A detailed investigation on formation pathways of these characteristic ions are performed by using high resolution mass determination, H/D exchange, isotope labeling and density functional theory (DFT). Results indicate that the production of these ions is related to the presence of threonine (Thr) residue in the peptide. Also the N-terminal fixed charge carried by deuterohemine group may play a critical role for the activation of the hydrogen connecting with carbon, and McLafferty-type rearrangement reactions are proposed as the potential mechanism for explaining the generation of the b_n-CH₃CHO and c_n ions. In this study, we also propose a rearrangement fragmentation pathway for the production of b_n+H₂O ions from the Thr/Ser residue. In that case, the N→O acyl shift occurs to generate an ester intermediate which is the first and the most critical step, following that a further fragmentation of the ester isomer leads to the formation of b_n+H₂O ions. Detections of these diagnostic ions from the MS/MS spectra of sodiated Thr containing peptides further support the proposed charge-remote fragmentation pathways. Present work provides mechanism insights into the production of special ions, such as c_n and b_n + H₂O ions, in the low energy CID process.

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.

Biography:

Dr. Siu then accepted a position as Research Associate with the Division of Chemistry at the National Research Council of Canada. Over the following 16 years, Dr. Siu held positions with the NRC as Research Officer, Institute for Environmental Research and Technology (formerly Institute for Environmental Chemistry) and Senior Research Officer, Institute for National Measurement Standards.  In 1998, Dr. Siu relocated to York University as Professor of Chemistry and NSERC/SCIEX (now AB SCIEX) Senior Industrial Research Chair in Analytical Mass Spectrometry.  He was the Founding Director of the Centre for Research in Mass Spectrometry. Dr. Siu was named Distinguished Research Professor in 2007; in July of 2005, he accepted the first of two, three-year appointments as the Associate Vice-President Research, Science and Technology at York University. Dr. Siu is recognized globally as a leader in the fundamentals as well as applications in the field of mass spectrometry.  He has coauthored more than 240 refereed articles, and he and his group have given in excess of 440 presentations of which 50% were in the invited, keynote or plenary category. 

Abstract:

Loss of water is a common reaction after collisional activation of protonated polypeptides.  We selected polyglycines as prototypical polypeptides for examination of the source of the water loss.  Polyglycines labeled with ¹⁸O at specific peptide linkages were custom-synthesized using Wang resin.  Protonated tetraglycine loses water predominantly from its first peptide linkage.  Loss of water from the second peptide linkage increases in abundance with increasing peptide length, and becomes the predominant channel in hexaglycine.  For tetraglycine, both density functional theory (DFT) calculations and infrared multiple photon dissociation (IRMPD) experiment strongly suggest that the dehydration product is formed by loss of water from the first peptide bond that results in a protonated imidazole-4-one (U.H. Verkerk et al. J. Phys. Chem. A 2011, 115, 6683; J.K.-C. Lau et al. Int. J. Mass Spectrom. 2012, 316, 268).  Preliminary DFT and collision-induced dissociation (CID) results continue to support this structural interpretation for the dehydration products of pentaglycine and hexaglycine that involve loss of water from the first peptide bond.  Those results that involve water loss from the second peptide bond suggest a series of rearrangement reactions prior to dissociation.  Our results thus far indicate multiple pathways of polyglycine dehydration that are competitive.

Biography:

Yong-Xi Li has completed his PhD in Beijing Institute of Petroleum Research in China and Postdoctoral training at Cornell University, USA. Currently he is Executive Director at Medpace Bioanalytical Laboratories focusing on bioanalytical analysis, including TK, PK, ADA and Nab method developments, validations and sample analysis for small molecule, polypeptides, protein and antibody therapies. He has published more than 100 papers and one book in reputed journals and publishing house and serving as one of organizers in a biotech conference.    

Abstract:

Since Nicotine is like a neurotransmitter. With receptors they are involved in many functions in human. Rats were selected to simulate smokers, and distributions of Nicotine and Cotinine in tooth, alveolar bone and brain are investigated. Quantitative methods by LC-MS/MS are developed after extraction methods were established. Total of 18 SD rats had intraperitoneal injection once a day, then sacrificed after three months. Tooth, alveolar bone and brain were collected. Analytes and internal standards were extracted from tooth and alveolar bone using SPE procedure. Ground teeth was dissolved in HCl overnight. The analytes were spiked to liquidized tooth or bone for preparing calibration standards and QCs. Then neutralized sample was loaded on SPE, eluent was for analysis. Brain samples were homogenized, extracted using protein precipitation procedure. The LC-MS/MS analysis was carried out on Sciex 5500 LC-MS/MS system.  The chromatographic separation was achieved on C18 column (100 × 2.1 mm) with gradient operation. The MRM transitions on +ESI mode were monitored at m/z 163.1 ® 130.1 for nicotine, m/z 177.1 ® 80.1 for cotinine. Calibration range was from 5 ng/g to 1,000 ng/g. Preliminary results have shown that under dosing of 0.8 mg/kg, the highest distributions are: 19.8 ng/g in teeth, 20.1 in alveolar bone and 11.5 in brain for Nicotine, and notably, 25.9 in teeth→58.4 in alveolar bone→103 ng/g in brain for cotinine. Compared to the results from smoker teeth, the impacts on dental health are discussed from cotinine deposition acumination, and as well as brain neuro system. 

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.