Scientific Program

Conference Series Ltd invites all the participants across the globe to attend 4th Edition of International Conference on Polymer Science and Technology Hotel Panorama Prague , Czech Republic.

Day 1 :

Biography:

Gilles Goetz is a Principal Scientist at Pfizer in Groton, Connecticut, USA. He received his BSc (1991) and PhD (1995) at the University of Strasbourg in France. After his Post-doctoral studies at the University of Hawaii (1996-97) and of Neuchatel (CH) (1998-99) studying marine and fungal natural products, he joined Monsanto in 2000. There, he worked through mergers and acquisitions for Pharmacia and Pfizer successively in the natural product group, the HTS group (analytical support), and the purification group. In 2010, he transferred to the expert purification group at Pfizer Groton and in 2011 to the molecular properties group. He is a part of the team influencing medicinal chemistry design through insights into molecular properties such as polarity, lipophilicity, shape, and conformation that will impact molecular behaviors like solubility, permeability, and efflux. They develop and use mainly chromatographic techniques (EPSA) to assess those properties, and work towards predicting molecular behaviors.

 

Abstract:

Applications of a new chromatographic method using SFC technology developed recently at Pfizer are described here. The EPSA method, as readout of polarity, correlates retention on a specific stationary phase with the exposed polarity of a molecule. Changes in retention can be interpreted by changes in polarity induced by the presence of intra-molecular hydrogen bonding (IMHB): indeed, IMHBs tend to impact molecular conformation, inducing hidden polarity that results in a decrease in analyte retention on the EPSA support. We demonstrate here the impact of this method on multiple beyond rule of five projects (NS5A, Oxytocin Receptor, CXCR7 Modulator, others). Given that conformational changes (induced and/or stabilized by the formation of IMHB) increases potential for membrane permeability, we show here that EPSA, and the EPSA prediction model, have significant impact in peptide drug design.

 

 

 

 

 

Keynote Forum

Károly Héberger

Hungarian Academy of Sciences, Hungary

Keynote: Separation selectivity of liquid chromatographic columns: a comparison by nonparametric methods

Time : 10:15-10:55

Biography:

 

Károly Héberger has completed his PhD, Cand. scient., DSc and t. Prof. In his early career, he investigated liquid phase oxidation (radical) processes and determined rate constants by kinetic ESR spectroscopy. Later, he studied quantitative structure activity (property) relationships like QSAR, QSPR and QSRR. Now, he deals with chemometrics such as multivariate data evaluation techniques, principal component analysis, stepwise linear regression, partial least squares regression, variable selection, model building and validation, pattern recognition (supervised and unsupervised), classification of food products, clustering, method comparison and ranking etc. His scientific results were presented in more than 160 papers (including book chapters) and has given more than 300 lectures (or posters) with h-index=34 and i-10 index=83 (Web of Science). The papers were cited above 3500 times.

Abstract:

 


There are two legitimate aims for column selection: i) to determine similar ones to an existing one and ii) to find diverse (orthogonal) one(s) for optimal separation. Several different methods have already been elaborated to compare selectivity of chromatographic columns. All comparisons realize empirical approaches and based on measuring retention data of several well-chosen test compounds. Proper multivariate analyses can find similarities and differences in retention behavior of test compounds and stationary phases. As an illustration we adopted Wilson et al.’s data of 67 test compounds and 10 highly similar columns (C18-bonded silica stationary phases). The inherent characteristic groupings by physical properties were revealed with correct statistical tests and several independent methodologies. Generalized pair correlation method (GPCM)2 and sum of (absolute) ranking differences (SRD)3,4 unambiguously showed the same ranking pattern. The clustering by SRD is delivered to the reference. Therefore, all columns have been chosen as gold standard once and only once (comparison with one variable at a time). All lines of boxes correspond to an SRD ordering always with a different reference column (Figure 1). COVAT heatmaps show destroying the true pattern if the hydrophobic-subtraction model (HSM) evaluation is used. The ranking (clustering) pattern of chromatographic columns based on retention data (log k values) of 67 compounds and selectivity parameters of hydrophobic-subtraction model (HSM) provided various column groupings. Loss of information is inevitable for using the HSM data handling. Processing of retention data resulted in patterns that are consistent with differences in the columns’ physicochemical parameters, whereas HSM results are deviating to a higher or lesser degree, depending on the particular chemometric approach. GPCM, SRD and COVAT procedures can be carried out on any data sets partially and on the whole to select the most similar and dissimilar columns, though our calculations were completed to the data set of Wilson et al.

 

Keynote Forum

Hong Xue

Hong Kong University of Science and Technology, Hongkong

Keynote: Dispersed mobile-phase countercurrent chromatography

Time : 11:10-11:50

Biography:

 Hong Xue has obtained her MD from the Shanghai Second Military Medical University in 1983, PhD from the Institute of Medical Sciences and Department of Biochemistry, University of Toronto in 1992, and carried out Post-doctoral studies at the Department of Genetics, University of Glasgow before joining the Department of Biochemistry, Hong Kong University of Science & Technology (HKUST). Currently, she is the Director of Applied Genomics Center of HKUST, and Professor of Life Science at Hong Kong University of Science and Technology. Her group research focuses on genomics, bioinformatics and evolution biology to decipher the mechanisms of human complex diseases, in particular, schizophrenia. The group is also interested in translational research on novel therapeutics and diagnostics for complex neuropsychiatric disorders including anxiety, depression and neurodegenerative disorders, with a focus on GABAA receptors as the drug targets. In order to effectively isolate active components from medicinal herbs, her group has recently developed a novel chromatographic method designated as Disbursed Mobile-Phase Countercurrent Chromatography (DMCC). In 2003, she and her team discovered the association between schizophrenia and a segment of the GABRB2 gene encoding the b2-subunit of GABAA receptors, the positive selection of genotypes and haplotypes in this segment, determinant role of this segment in the alternate splicing of the b2 subunit protein, and the differential modulation of the GABA-induced membrane current by the long and short forms. These discoveries represent therefore the first instance where a schizophrenia-susceptibility gene has been linked to protein processing and further to electrophysiological response of neurons, thereby opening the door toward understanding the mechanism of schizophrenia etiology leading from gene to neuronal phenotype.

Abstract:

Countercurrent distribution based on liquid-liquid partition is a powerful separation method with minimal incurrence of loss of solutes, but its industrial application has been limited by cumbersome shifting of immiscible solvents. Although centrifugation has been employed to facilitate equilibration between phases, process scaling-up remains difficult. In this study, a dispersed mobile-phase countercurrent chromatography (DMCC) method has been developed to adapt the countercurrent distribution principle to a continuous column chromatography format. Continuous solute-exchange between two immiscible phases within a series of separation columns is achieved by mechanical dispersion of an influx of mobile phase into an upward stream of small droplets travelling through the columns filled with stationary phase. The diameter, length and number of columns and the number of stationary phases employed in the different columns can be varied to match the requisite scale and resolution of operation. Illustrations of DMCC were provided by examples of solute separations where the fractionated solutes could be collected either from the eluate of the series of columns or from drainage of the stationary phases in the individual columns at the end of a chromatographic run.

  • Applications of Chromatography | Analytical Chromatography | High Performance Liquid Chromatography | Polymer and the Environment | Biopolymers
Speaker

Chair

Károly Héberger

Hungarian Academy of Sciences

Session Introduction

Gómez-López Alicia

Mycology Reference and Research Laboratory, Spain

Title: Triazoles therapeutic drug monitoring: from recommendation to applicability

Time : 11:50-12:15

Biography:

 

Gómez-López Alicia (representative investigator of this research team) has been part of the CNM Mycology Reference Laboratory since 2000. Since her incorporation as a PhD student, has participated in several research projects related to research in human fungal infection. In 2007 she was in charge of creating a new research line into the Laboratory. This is a line of cutting-edge research in Medical Mycology, which seeks to define relationships between dose and therapeutic response, and also better explain the clinical significance of resistance, by evaluating parameters PK/PD of antifungals and their relationship with efficacy. New strategies using alternative models of infection are now on going in this field with interesting perspectives and applications. This research is also evaluating the effect of the patient genetic background in treatment efficacy (pharmacogenetic). This new line is nowadays working actively in the lab. Each year new staff is incorporating to advance in this research by means of competitive applications. Thanks to these resources new methods have been developed and validated, contributing positivity to assist the national health system in fungal infection management.

 

Abstract:

The past three decades have seen a considerable expansion in antifungal drug research that led to the clinical development of antifungal agents with different pharmacologic properties. The new antifungal triazoles (fluconazole FCZ, voriconazole VCZ, itraconazole ICZ, posaconazole PCZ and isavuconazole ISvZ) are widely used for the management of invasive fungal infections (IFI). With the exception of fluconazole, these triazoles exhibit significant inter- and intrapatient pharmacokinetic variability and are associated to multiple drug interactions. Thus, unexpected blood concentrations often need to be evaluated in patients treated with them, to prevent treatment failure or toxicity. A large number of recent studies suggested that the efficacy and tolerance of azoles can be increased through TDM. Measuring blood concentrations of these antifungals and their metabolites could be used for quick identification of patients with impaired metabolism, a suitable strategy to improve effectiveness of this type of treatment. So, to facilitate dosage adjustment, easy, accurate and precise TDM methods need to be routinely used.

Objective: The aim of the study was to describe systemic azoles pharmacokinetic in a collection of clinical samples using a validated HPLC-PDA assay. The method also allows the simultaneous quantification of triazoles and some of their major metabolites (voriconazole N-oxide VCZ N-oxide, and hidroxy-itraconazole OH-ICZ) in the same run.

Biography:

 

Abraham George is working as the Section Head of Analysis at ADNOC Refining Research Centre. He has 25 years of experience in the area of Petroleum Inspection and Laboratory Analysis. He has completed his Bachelor's Degree in Chemistry and obtained his Master’s Degree in Business Administration from Mahatma Gandhi University, India. He worked in various capacities in managing laboratories in India, Saudi Arabia and in UAE, and involved in inspection and analysis of entire range of crude Oil, petroleum products and other materials. He is a certified Lead Auditor in ISO 9001:2008 QMS from Lloyds Register Quality Assurance.

 

Abstract:

Statement of the Problem: Petroleum product slop generated in products distribution terminals contains different products handled within the terminal, specifically unleaded gasoline which contains MTBE (Methyl tertiary butyl ether) blended as additive. These slops are injected into the atmospheric residue stream feeding the refinery vacuum distillation unit as a recycling option. Due to this optional blending of MTBE containing slops to the Vacuum distillation (VD) feeds, there are concerns over possibility of MTBE carry over in the vacuum distillation products, which might have an impact on the hydrocracking catalyst and the quality of the products specifically naphtha. The objective of this case study is to determine the MTBE content in the vacuum distillation products like light vacuum gas oil and heavy vacuum gas oils (LVGO and HVGO). Since there are no standard test methods exists to determine the content MTBE in VD products. The purpose of this study is to develop a chromatographic method for identification and quantification of MTBE in heavy hydrocarbon matrices.

Methodology & Theoretical Orientation: Various heavy hydrocarbon matrices starting with light vacuum gas oil, heavy vacuum gas oil, and straight run residue were selected as representative heavy hydrocarbon matrix. Temperature conditions from 90°C to 180°C with an increment of 30°C were selected for study in GC-HS and optimized GC headspace parameters and GC parameters for all the matrices.

Findings: After the laboratory study using various heavy hydrocarbon matrices at various temperatures, it is observed that gas chromatography headspace technique can be used for the identification and quantification of MTBE. Also, derive a theoretical equation for the quantitation in specific matrix. Results obtained theoretically and practical measurements are well within the repeatability window of the gas chromatography headspace technique.

 

Biography:

Dawei Cao is a PhD student under the supervision of Prof. Shuming Peng in China Academy of Engineering Physics and Prof. Zhengjun Zhang in Tsinghua University. He completed his Graduate degree from Amoy University in 2012. His current research concentrates on the separation and analysis of hydrogen isotopes.

 

Abstract:

Hydrogen isotope separation is among the key technological problems, in the utilization of nuclear fusion energy and moreover, in gas atmosphere in the process flow of ITER fuel cycle it is more than complexity. Thus, making effective separation and analysis of hydrogen isotopic mixtures is necessary and an urgent task to be addressed. As hydrogen isotopes share almost identical shape, size and chemical properties, separating and analyzing of hydrogen isotopes is really not an easy task. In this letter, ultralow temperature separation of H2/D2 mixture through quantum sieving was experimentally examined on two metal-organic framework (MOF) materials, with an extreme two-dimensional confinement formed within the material of {[Fe(OH)(H2bta)](H2O)}n experienced by hydrogen molecules, an extraordinary separation factor of H2/D2 as high as 41.4±0.4 at 20 K was finally experimentally obtained. Furthermore, MOF material CPL-1 ([Cu2(pzdc)2(pyz)]n) was further tested as the stationary phase of gas chromatography for the analysis of H2/HD/D2 mixtures with a large specific surface area and uniform pore size, CPL-1 showed a better adsorption of H2/D2 in capacity than that of MnCl2@γ-Al2O3 and γ-Al2O3 and CPL-1 packed column showed more rapidly in signal detection, i.e., less retention time, than that of MnCl2@γ-Al2O3 toward H2/HD/D2 under a condition of 77 K and carrier gas (Ne) flow rate of 3 ml/min. With a sampling volume of 0.25~2.0 ml, GC with CPL-1 packed column showed good linear respondence toward measurement of H2/HD/D2 mixtures with mean relative error less than 4%, showing promising potential use of MOF material in hydrogen isotope chromatographic analysis. 

Biography:

Abstract:

The present work is focused on the optimization and validation of the analytical methods by fast-GC-MS for the determination of cocaine and identification of minor alkaloids and most common cutting agents in powders seized by the law enforcement. Optimization procedure was a deal between the sensibility, signal saturation and time analysis for the identification of minor alkaloids in the presence of a large amount of substances as it occurs in some real cases. Injection temperature and volume, split ratio as well as the temperature ramp for the separation were the optimized instrumental variables. The validation was performed using inter-laboratory samples of cocaine. For this purpose, the accuracy profile procedure was applied in order to evaluate the capability of the method to quantify samples with a known accuracy and a fixed risk at 5%. The analytical method was accredited by the Swiss Accreditation Service (SAS) according to the UNE-EN ISO/IEC 17025:2005 guidelines. The method is used as a routine analysis in the forensic laboratory and allows not only the quantification of cocaine but also the profiling analysis of the minor alkaloids in less than 6 min per run. The profiling study provides information as an added value to the law enforcement, since it provides information about links among cocaine street samples using Pearson correlation coefficients, principal components analysis (PCA) and hierarchical cluster analysis (HCA).

 

F.Picchioni

University of Groningen, The Netherlands

Title: Synthesis, processing and application of renewable and/or biobased polymeric products

Time : 14:30-14:55

Biography:

 

F.Picchioni has completed his PhD in 2000 from the University of Pisa (Italy) and postdoctoral studies from the Technical University of Eindhoven (The Netherlands). Since 2013 he is full professor and chair of the group Chemcial Product Engineering at the University of Groningen (The Netherlands). He has published more than 100 papers in reputed journals.

 

Abstract:

The development of new (or improved) chemical products finds its starting point in the definition of a chemical structure for a given application. Already at this stage of the design process, sustainability-driven consideration can be taken into account. In the last 20 years, a clear trend can be detected in the use of monomeric units derived from biomass for the design of new polymeric materials. However, “going green” might not provide an exhaustive answer to the sustainability issue as it could still result in the use of polluting polymeric products. The case of polyethylene produced from ethanol (via ethylene) is paradigmatic in this context. The combination of biomass derived synthetic strategies with relatively novel concepts from the polymer world, such as self-healing and re-workability (conceptually linked to the underlying concept of thermally reversible networks), represents a viable option. In this work we will provide an overview of our current research activities at the University of Groningen dealing with the synthesis, processing and application of renewable and/or biobased polymeric materials. Starting with the use of starch in bioplastics and the corresponding “green” processing strategy (in supercritical CO2), the concept of thermally reversible networks will be subsequently introduced. Application of the latter to oil-based resins (e.g. epoxy) and then to bio-based ones (e.g. vegetable-oil derivatives) will be discussed in terms of the necessary synthetic steps and the final product properties (including reworkability).

Biography:

Dr. Mohammed A. Al-Meetani has received his PhD Degree in applied analytical chemistry from Colorado School of Mines, Colorado, USA in 2003. His research encompasses various topics in the areas of pyrolysis mass spectrometry of the peptide and proteins, degradation of organic water pollutants using advanced oxidation processes, determination of human derived chemicals in ground and wastewater, and development of analytical methods for detection and determination of designer drugs of abuse. Dr. Meetani’s work has resulted over 40 articles in reputed journals and international conference proceedings. He has worked at different international universities and research institutes such as national renewable energy laboratory (NREL), CO, USA, University of Wyoming, Wy, USA, and Sam’s Nobel Foundation, OK, USA.

 

Abstract:

A statement of the Problem: the latest version of new designer substances (NDS) is called “bath salts” and they g spread in the drug of abuse market. Bath salts are a group of central nervous system stimulants that consists mainly of synthetic cathinone derivatives. They are chiral substances that exist as a racmic mixture. Objectives: Development and validation of sensitive and selective method for enantioseparation and quantitation of synthetic cathinones “bath salts” has been done by using GC-MS (SIM) with chemical ionization source in negative mode (NCI). Methodology:  Indirect chiral separation of thirty six synthetic cathinone compounds has been conducted by using optically pure chiral derivatizing agent (CDA) called (S)-(–)-N- (trifluoroacetyl)pyrrolidine-2-carbonyl chloride (L-TPC) which converts cathinone enantiomers into diastereoisomers that can be separated on achiral GC-MS columns. Ultra inert 60 m column was used. Slow heating rate (2 oC/min) on the GC oven has resulted an observed enhancement in enantiomer peak resolution. An internal standard, (+)-cathinone, was used for quantitation of synthetic cathinone. Conclusion & Significance:  Method validation in terms of linearities, limits of detection (LOD), limits of quantitation (LOQ), recoveries and reproducibilities have been obtained for fourteen selected compounds that ran simultaneously as a mixture after being spiked in urine and plasma. Unlike the Electron Impact ion source (EI), NCI showed higher sensitivity by three orders of magnitude by comparing with the previous results.. Moreover, signal intensity improvement observation after changing the CI reagent gas from methane to isobutane, argon or methane/ammonia (95:5) will be discussed.

 

Biography:

Abstract:

In this study, a simple, efficient and reliable HPLC method was developed for determination of ibuprofen and diclofenac belong to group of Painkiller and anti-inflammatory drugs in wastewater influents and effluents from WWTP. The method involves pre-concentration and clean-up by solid phase extraction (SPE). Final analysis of the selected pharmaceutical compounds was carried out by high-performance liquid chromatography (HPLC) on a reversed- phase C18 column using by gradient elution with methanol , acetonitrile and a  0.05 M phosphate-buffer (pH=4.5) at a flow-rate of 1 ml min-1 with diode array detector (DAD). The recoveries for all samples were more than 70%. The calibration curves obtained for studied drugs show reasonable linearity (R2 > 0.99) and the Limits of quantification were 0.05 ng ml-1 and 0.1 ng ml-1for ibuprofen and diclofenac, respectively. The described method was applied to the determination of the drugs in wastewater samples from WWTP in the south of Tehran.

Biography:

 

Giulia Caron’s primary scientific activity was lipophilicity, then she moved to the design, experimental determination and computational prediction of physicochemical properties related to ADME properties and to permeability measurements. The integration of Intramolecular Hydrogen Bonding (IMHB) considerations in drug design and the development and application of a tool named Block Relevance (BR) analysis to provide a mechanistic interpretation of QSAR/QSPR models based on the PLS algorithm are two of her main field of interest. To fit new drug discovery exigences she is now focusing on defining a set of experimental and in silico tools for molecular properties evaluation in the bRo5 chemical space

Abstract:

Statement of the Problem: The Block Relevance (BR) analysis is a computational tool that can be conveniently used to characterize and compare chromatographic scales. Immobilised Artificial Membranes (IAM) chromatography is expected to predict drug membrane permeability, a pivotal molecular property in drug discovery processes. The purpose of this study is to extract by BR analysis the balance of intermolecular interactions governing IAM descriptors (log KwIAM, log KwIAM) and verify their relationship with passive permeability. Methodology: Experimental: The RP-HPLC analyses were performed with 20 mM ammonium/acetate at pH 7.0 in water or in mixture with acetonitrile at various percentages. The stationary phase was IAM.PC.DD.2: its surface is formed by covalently bonding the membrane forming phospholipids to silica (Regis, 10cmx4.6cm 10um packing 300Å pore size). The flow rate was 1.0 ml/min. Computational: VolSurf+ (Vs+) software (version 1.0.7, http://www.moldiscovery.com) was used to generate PLS models with default settings and four probes (OH2, DRY, N1, and O probes that mimic, respectively, water, hydrophobic, HBA, and HBD properties of the environment). BR analysis was performed using an in-house software. Findings: BR analysis showed that 

successful prediction of permeability using log KwIAM alone is unlikely to occur but its combination with PSA can reasonably well predict PAMPA log Peff of neutral and ionized compounds. Conversely, log KwIAM is a polarity descriptor and thus plays a very relevant role in the prediction of cellular permeability Conclusion: IAM chromatography provides two descriptors (log KwIAM and log KwIAM) of interest in the prediction of permeability, which is a crucial issue of any drug discovery project. Overall, this study highlights that, prior to their application to biological/toxicological topics, any chromatographic descriptor should be characterized for its information content using a tool like BR analysis.

Biography:

Chengjian Xiao has his expertise in deuterium-tritium fuel cycle of nuclear fusion energy. The group is dedicated to the extraction, separation and purification technology of hydrogen isotopes in order to meet the requirements of the tritium extraction process, the Tokamak DT gas recycling and the tritium wastewater treatment.

 

Abstract:

 

The separation of large-scale hydrogen isotopes is important in the process of nuclear fusion energy development and utilization. So far, there are few hydrogen isotope separation techniques suitable for industrial scale applications, and cryogenic preparative chromatography has advantages in terms of simple equipment, reliable operation, large separation factor, high product purity, and low retention of tritium. In this paper, a cryogenic chromatography method for reprocessing Tokamak exhaust gas is described. The experimental apparatus consists of a column with carbon molecular sieve used as exhaust storing and purification unit, four columns with 5A molecular sieve operated at the temperature of liquid nitrogen to adsorb hydrogen isotopes. In order to raise the efficiency and to shorten the total time of isotope separation and the total length of columns between two columns, a disproportionate equilibrator for isotope exchange of HD and HT was inserted. After passing through the cascade columns, the protium, deuterium and tritium are separated cleanly. The overall recoveries of deuterium and tritium for cleanup isotope separation procedure are greater than 97%, and the protium removing efficiency is larger than 98%. Further refining the process operating parameters, be able to get an ideal result, and is expected to meet the requirements of self-sustaining tritium fuel cycle.

Biography:

Swati sharma  is persuing her Ph.D programe in polymer chemistry, from Institute of science, Banaras Hindu university. She has published four papers in reputed journal, and three are in under review. She is now Ph.D research scholar in chemistry department, Banaras hindu university, INDIA.

Abstract:

Hydrogels are 3D polymeric networks, which are hydrophilic and cross-linked via covalent or non-covalent interactions. Because of their soft nature with similar physical properties to soft tissues attracts more attention in biomedical application but due to its weak mechanical strength and non-healable nature, its application are still restricted in biomedical field. This article introduces a simple approach of preparing self-healable guar gum-graft-acrylic acid (GG-PAA) hydrogel using first time L-alanine as a cross-linking agent which alters the various properties of hydrogel such as mechanical strength (G’=90,570Pa). A series of guar gum (GG) based hydrogel were synthesized by varying the concentration of L-alanine (from 0.4-1% w/v) which was used as a cross-linking agent. Hydrogel was characterized by HRSEM and Rheology studies which explore the morphology and mechanical strength of hydrogel; further it was investigated that synthesized GG based hydrogel showed good swelling ability with excellent self-healing property. The highly water soluble drugs have a tendency to burst rapidly into human body which is undesirable and thus, this hydrogel may be helpful to overcome this problem too and found fruitful applications in biomedical field.