Biography:

Olivier Laprévote has completed his PhD at the Paris-South University and joined the CNRS Institute of Natural Products Chemistry in 1989. He is now full Professor of Toxicology, Director of the Research Unit CNRS 8638 of the University Paris Descartes, and Director of the Biological Toxicology Department of the Paris Hospitals. He has published 180 papers in reputed journals and is board member of international journals (J. Mass Spectrom., Eur. J. Mass Spectrom, Anal. Bioanal. Chem.). He is past-President of the French Mass Spectrometry Society as well as the French representative at the International Mass Spectrometry Foundation

Abstract:

Mass Spectrometry Imaging (MSI) is now a mature analytical technique since its appearance more than fifteen years ago. Its ability to localize a variety of biomolecules on biological section surfaces and its promises in the medical field was underlined from the beginning of the IMS development. However, many years after, it seems that MS imaging in its two main instrumental modes i.e. Matrix-Assisted Laser Desorption-Ionization (MALDI) and Secondary-Ion Mass Spectrometry (SIMS) are still in their early developments for the discovery of biomarkers of diseases. Some recent results have demonstrated that MSI techniques can be used to image low mass endogenous metabolites in addition to proteins in biological tissue sections. By its ability to locate on histologically well-defined areas of tissues previously intractable classes of molecules, MSI offers enormous clinical potential. The reasons for such a delay between the early expectations for the MSI development and the actual applications of the technique for localized proteomics and/or metabolomics is due to many factors, including sample handling, instrumentation or even bio-informatics limitations. Some improvements have led to promising results in localized proteomics and metabolomics and the main goal is now to combine the MS imaging data with biochemical, signalling and metabolic pathways together with histological features. All these various aspects will be discussed in the lecture, in order to highlight the present state and the future trends of MS imaging combined with omics studies..

Biography:

Vijayabhaskar V, Ph.D., GVK BIO: Heading the department of ADME-Tox (Drug Metabolism & Pharmacokinetics) at GVK BIO, based in Hyderabad, India. He has received his Ph.D. in Pharmaceutical Sciences from the Department of Pharmacy at JJT University. Research during Vijay’s professional career was focused on understanding and troubleshooting technical issues in PK, In vitro ADME and Bioanalysis. A gold medallist in Master’s Degree of Pharmacy, he possesses an industrial experience of close to 10 years in different disciplines of DMPK. His current research interests include metabolite identification and high throughput bioanalysis.

Abstract:

Formulation excipients are used at high concentrations in preclinical formulations to solubilise NCEs of varying lipophilicities. The good (Measuring plasma concentrations of formulation excipient acts as quality control check for in vivo PK studies), the bad (Matrix effects arising from formulation excipients cause differential ionisation between calibration standards and study samples, producing false concentration levels) and the ugly (altered pharmacokinetic parameters resulting in false positive and false negatives) aspects of using formulation excipients in preclinical formulations will be discussed in detail. Bioanalytical approaches to identify and nullify the matrix effects will also be presented.

Biography:

Gilmare Antônia da Silva has completed his PhD at the age of 30 years from State University of Campinas (UNICAMP/BRAZIL). She is adjunct professor at Federal University of Ouro Preto/Brazil. She has published 15 papers in reputed journals and participated in the filing of a patent. She received two awards for two of the more than 70 works presented at scientific meetings. She has more than 25 academic supervisions including four mastering students.

Abstract:

Contaminants of emerging concern are organic compounds used in large quantities by the society for various purposes. They have shown biological activity at low concentrations and the difficulty to detect and quantify them in the environment stimulates the development of appropriate analytical methods. In this work, a chemometric approach to positive and negative ESI optimization for the simultaneous determination of contaminants of emerging concern in water samples by LC-IT-TOF-HRMS was applied. Three types of phase modifiers were used: formic acid, ammonium hydroxide and formic acid/ammonium formate. The effects of the operational parameters mobile phase modifier concentrations, mobile phase flow rate, heating block temperature and drying gas flow rate were evaluated by the 24−1 fractional factorial and Doehlert experimental designs. Factorial design indicated that ammonium hydroxide was more efficient compared to the other evaluated modifiers (higher ion intensities). Doehlert design allowed finding a region indicative of the optimum experimental conditions for most analytes. The best experimental condition observed was 3.5 mM ammonium hydroxide concentration; 0.0917 mL/min of mobile phase; 300 ºC heating block temperature; and drying gas at 200 kPa. These optimized parameters resulted in decreased detection limits of the method. The optimized method was applied to the evaluation of water samples coming from the Rio Doce basin - Minas Gerais/Brazil utilizing principal component analysis and Kohonen neural network. In this way, the use of chemometric approaches showed to be a promising way to optimize the simultaneous determination of 21 contaminants of emerging concern in water by LC-IT-TOF-HRMS using ESI. Biography

Biography:

Rahmatollah Rahimi has completed his PhD at Howard University (USA). He has been now serving as a full Professor in the Department of Chemistry, Iran University of Science and Technology. He has published about 90 papers in reputed journals

Abstract:

Sulfur/graphene catalyst was invented to be recyclable and impressive for selective oxidation of benzyl alcohol under simple reaction conditions.In this study, graphene oxide (GO) was prepared by a Hummers and Offman method. A one-step environmentally way is developed to prepare sulfur/reduced graphene. Sulfur/reduced graphene oxide (S/RGO) composite has been synthesized using a simple and low cost method with thiosulfate and graphene oxide (GO) as precursors. The powder was determined by X-ray diffraction, Fourier transform infrared spectroscopy and scanning electron microscopy images. After that, As-prepared sulfur graphene has been used for oxidation of benzyl alcohols to benzaldehyde. Acetonitrile has been used as solvent in the reaction. This composite were able to oxidation of benzyl alcohol to benzaldehyde with high efficiency (about 96%). This conversion has been demonstrated by gas chromatography equipped with mass spectroscopy. Substituted benzyl alcohols also can be oxidized by O2 to corresponding aldehydes with high selectivity in presence of catalyst. However this conversion has been reported difference yield with graphene oxide and another composite of graphene, but the first time was reported sulfur/graphene.

Biography:

Dr. Rahmatollah Rahimi has completed his PhD at Howard University (USA). He has been now serving as a full Professor in the Department of Chemistry, Iran University of Science and Technology. He has published about 90 papers in reputed journals

Abstract:

Disulfides are the key component of organic and bioorganic process such as disulfide bond formation on peptides, control cellular redox potential in biological systems and they are used as protecting agent of thiols under oxidative condition. The most important method of producing disulfides is the oxidation of thiols. A board range of reagent and catalysts are used for oxidation of thiols to disulfides like molecular oxygen, metal oxides, nitric oxides, halogens, sodium perborate and DMSO. Tin oxide is a metal oxide that is wildly used in different area like electrode material, a transparent electrode, glass sensing electrode and they are used as hydrogen, carbon monoxide, hydrocarbon and alcohol sensor. In this work SnO2 nanostructures were synthesized by simple precipitation method by adding ammonia directly to SnCl2 solution and it was used as catalyst for oxidation of thiols derivatives to disulfides. It was a selective and highly efficient catalyst. SnO2 nanostructures were characterized by XRD and SEM and products of thiol oxidation were identified by GC-mass spectroscopy.

Biography:

Dr. Rahmatollah Rahimi has completed his PhD at Howard University (USA). He has been now serving as a full Professor in the Department of Chemistry, Iran University of Science and Technology. He has published about 90 papers in reputed journals

Abstract:

In this study, ZnO nanoparticles have been immobilized on the surface of Zn-Fe2O4 nanohallow spheres by sol-gel method and the core-shell structure of Zn-Fe2O4@ZnO nanohallow spheres were characterization by scanning electron microscopy (SEM), transmission electron microscopy (TEM) and vibration sample magnetometery (VSM). The SEM images reveal formation of sphere structure. The TEM micrographs confirm that the size of catalyst is about 150 nm and the thickness of ZnO shell is smaller than 30 nm. Results of VSM illustrate that Zn-Fe2O4@ZnOparticles are superparamagnetic. The catalytic activity of Zn-Fe2O4@ZnO nanohallow spheres was investigated for oxidation of benzylic alcohols using H2O2 as an oxidant. The resultant Zn-Fe2O4@ZnO nanohallow spheres were highly selective for oxidation of benzyl alcohols to corresponding benzaldehydes. It was found that the as–prepared catalyst display the excellent performance, whereby, 100% selectivity of benzaldehyde was achieved at close to 92% conversion.

Biography:

Abstract:

Surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS) using nanomaterials as matrix has become a powerful technique for the analysis of biomolecules, including proteins, DNA, peptides, aminothiols, and carbohydrates. SALDI-MS has been developed to improve sensitivity and quantitation, with minimum problems associated with sweet spots. Several successful examples of the analysis of biomolecules through SALDI-MS will be discussed in my talk. SALDI-MS with HgTe nanostructures as matrix is useful for the detection of proteins such as IgG, protein G, and their complexes. SALDI-MS allows simultaneous detection of single- and double-stranded oligodeoxynucleotides, with limits of detection at the femtomole-to-picomole level and sample-to-sample intensity variation < 23%. SALDI-MS using gold nanoparticles (Au NPs) is sensitive for the detection of the digest of Cyt c in the HeLa cells treated with etoposide (a commercial drug) or carbon dots (potential drug).

Biography:

Erik Dümichen is a PhD student at the Federal Institute for Materials Research and Testing (BAM) in Germany since 2012. He is a young scientist with experience in investigation of polymers by thermo-analytical and chromatographic methods. He developed a robust and easy to handle method for the identification and quantification of thermal- and thermo-oxidative degradation products.

Abstract:

The common analyzing techniques for polymer degradation mechanism are thermogravimetry (TGA) coupled to Fourier transformed infrared spectroscopy or mass spectrometry (TGA-FTIR/MS) and pyrolysis gas chromatography mass spectrometry (Py-GC-MS). TGA-FTIR and TGA-MS are powerful tools for the analysis of decomposition molecules like water, methane, carbon dioxide or ammonia due the specific signals of these small molecules with high symmetry. With Py-GC-MS the hydrocarbon decomposition products can be separated by a chromatographic column and identified over mass spectrometry. Therefore, an unambiguous identification of characteristic polymeric decomposition product is possible. However, using Py-GC-MS only small sample amounts can be analyzed (0,1 – 0,5 mg) and small transfer capillaries are used which cause problems through contamination or even blockage. Therefore, a quantification or semi-quantification of decomposition products is difficult to do. A new technique was established that is called thermal extraction and desorption gas chromatography mass spectrometry (TED-GC-MS). The method combines the advantage of using the thermogravimetry as thermal extractor: mass signal, using inert and oxidizing atmosphere, designed to work under the formation of big amounts of dirt, easy sample preparation, as well as the advantage of a chromatographic system that can separate the degradation products. These decomposition products can be certainly identified with reference mass spectra. The extraction was realized by the adsorption of the degradation products out of the TGA on twister. These twister are small stir bras with an defined amount of adsorption material (PDMS) on the surface. Subsequently these twisters were analyzed by thermal desorption gas chromatography mass spectrometry. The desorption is carried out with ambient temperatures (about 200 °C). Thus, the MS-system stays clean and no problems with contamination or even a blockage were observed. Quantitative as well as semi-quantitative measurements can be carried out due to this defined adsorption capacity. We will present some results about various topics using this new method. Advantages and disadvantages will be presented and a comparison with established methods.

Biography:

Benjamin J. Bythell received his MChem. degree from the University of Bath, UK, in 2002 and Ph.D. from Oregon State University in 2007. He held postdoctoral fellowships at the German Cancer Research Center in Heidelberg (2008-2010) and at the National High Magnetic Field Laboratory at Florida State University (2010-2013). He joined the University of Missouri-St. Louis faculty in 2013. Dr. Bythell works at the interface between analytical, computational and biophysical chemistry where he strives to understand the structure, reactivity and gas-phase behavior of biologically- and industrially-important chemicals.

Abstract:

Fundamentally, chemical structure determines the properties and potential functions of any given molecule. Consequently, to effectively and consistently identify chemicals with tandem mass spectrometry the gas-phase structures occupied by our analyte ions will have direct influence on which fragmentation pathways are populated, and thus, on the resulting mass spectrum. Ideally, we desire the ability to decipher both the elemental composition (CcHhNnOoSsPp) and structural information on unknown compounds. To accomplish this successfully, an understanding of the gas-phase fragmentation chemistries likely to be in play is of substantial benefit. Consequently we need a reasonable means of modelling the processes occurring within the mass spectrometer or a spectral database of all possible compounds under the particular experimental conditions employed. The latter, optimal approach is impractical for many compound types as it requires reference spectra generated from prior confident identification of each possible synthesized/isolated analyte. Thus, we require a robust model for our particular compound class that is flexible and accurate enough to deal with how and why different analyte ions form particular conformations, and what affect this has on their gas-phase fragmentation chemistry and resultant mass spectra. I will discuss recent density functional theory and experimental findings and their implications for structural identification of protonated systems with MS/MS.

Biography:

Wenjie Cao is a Staff Scientist of the Analytical at the SABIC Technology Center at Riyadh. Received his Ph.D. from Professor John Calvin Giddings’ Group at the University of Utah. Ph.D. research was on polymer separation and characterization by Thermal Field-Flow Fractionation. He was working for DuPont as a Research Investigator for four years before joined SABIC in 2012. Contributor to the book of the Encyclopedia of Chromatography. More than eighteen publications and presentations in peer-reviewed scientific journals and international conferences. Filed five patents since joined SABIC in 2012.

Abstract:

For the triple quadrupole LC-MS/MS instrument, the primary purpose or the most significant feature is the highest sensitivity among almost all, if not all, of the LC-MS/MS instruments by doing the Multiple Reaction Monitoring (MRM) testing. The ionization of a chemical in LC-MS/MS could be done with different ionization modes. The common ones are Electron Spray Ionization (ESI), the Atmospheric Pressure Chemical Ionization (APCI), and the Atmospheric Pressure Photo Ionization (APPI). The species and amount of adduct ions produced at each mode are quite different. Some type of the adduct ions may complicate the MRM testing by decreasing the sensitivities while some other adduct ions may prevent any reliable MRM testing. This research is going to do investigation on the differences of the types of adduct ions produced, and the amount of adduct ions produced at different ionization techniques. Some examples will be presented to show how the adduct ions may complicate the MRM testing, and the best ionization mode for some type of the targeted chemicals.

Biography:

Tatsuya Fujino, male, spectroscopy, Dr. of sc. from Tokyo Institute of Technology in 1998. He worked as a postdoctoral researcher of Japan Society for the Promotion of Science (JSPS) at Institute of Molecular Science (IMS) 1998-2002 and as a special postdoctoral researcher at RIKEN 2002-2005. Since 2005-till date, he is an associate professor at Tokyo Metropolitan University. New century award from the Japan Society for Analytical Chemistry (JSAC) in 2006. Best presentation awards from the Spectroscopical Society of Japan (SPSJ) in 2004 and from the Kanto branch of Chemical Society of Japan (CSJ) in 2007.

Abstract:

Nanometer-sized cadmium telluride particles were used as an inorganic matrix for the laser desorption/ionization mass spectrometry of free fatty acids in human serum. By changing the excitation power and the amount of a hole scavenger, the peak of deprotonated fatty acids was investigated. It was understood that the ionization of fatty acids were due to the biexciton Auger recombination and electron ejection from CdTe. CdTe were then loaded on zeolite surface. The peak intensity enhancement of the deprotonated ion of fatty acid were observed. This phenomenon was explained by measuring the carrier lifetime for Auger recombination in CdTe. In addition, reproducibility of fatty acid ions was highly improved reflecting homogeneous distribution of CdTe on zeolite surface. CdTe loaded on a zeolite surface (HM20) was successfully applied to the quantitative analysis of Ste in human serum by isotope dilution using 13C18-Ste. The concentration of Ste in human serum samples was estimated to be 76.62 mg/kg with the standard deviation (SD) of 2.37 mg/kg.

Biography:

R.K. Vatsa completed his Ph.D. from Bombay University, INDIA and did his postdoctoral studies at Heidelberg University, Germany. He is currently heading the Structural Chemistry Section in Chemistry Division of BARC. He has published more than 125 papers in reputed journals. He is vice-president of Indian Society for Mass Spectrometry (ISMAS) and elected fellow of National Academy of Sciences, INDIA.

Abstract:

This presentation will focus on multiple ionization and Coulomb explosion observed in different atomic and molecular cluster systems at laser intensities of 109 W/cm2. Clusters were prepared by supersonic expansion and ionized by Nd:YAG laser (10 ns pulse width). Multiply charged atomic ions possessing high kinetic energies were detected by time-of-flight mass spectrometry. Along with this, presence of energetic electrons (with 25-30 eV kinetic energy) was also confirmed by retarding field method. Formation of such highly charged atomic ions at these intensities is quite unusual and difficult to explain theoretically. In order to understand different factors responsible for enhanced ionization, a systematic study was conducted in which wavelength, cluster size and cluster composition were varied. Ionisation wavelength was found to have a pronounced effect on the charge state of ions and a threshold cluster size is essential. For gigawatt pulses interacting with a cluster, primary step is multiphoton ionization of atoms/molecules giving rise to an ion and electron, the latter then absorbs energy from the optical field. In case of clusters, electrons which have been detached from parent atom, but are trapped inside the cluster are called quasi-free electrons. The results show that presence of quasi-free electrons and their confinement inside the cluster is very crucial for generation of multiply charged ions.