Day :
- Polymers and Organic Chemistry | Medicinal and Bioorganic Chemistry | Natural Products and Heterocyclic Chemistry | Natural Products and Heterocyclic Chemistry | Aspects of Organic Chemistry
Session Introduction
Arup Dutta
North-Eastern Hill University,India
Title: Synthetic, Kinetic and mechanistic studies on the organo-nanocatalyzed synthesis of Spirooxindole derivatives under ultrasonication and its activity against raillietina sp and syphaciaobvelata
Biography:
Mr. Arup Dutta is a bonafide full time research scholar of the Department of Chemistry, NEHU, Shillong, India. He is 25 years old. He has been actively involved in his research activities since the day he joined the Ph. D. Programme in this Department and has Two publication in reputed Journal. He has a strong potential to learn new things and gets along very well with his fellow colleagues. Mr. Arup Dutta has two years research experience and excellent academic record throughout his studies. He has keen interest in research and a strong potential to learn new things.
Abstract:
A new class of organo-nanocatalysts was fabricated by encapsulating magnetic Fe2O3@SiO2 nanoparticles with thiamine hydrochloride. The prepared catalyst was characterized by various analytical techniques viz., FT-IR, TGA, TEM, SEM, EDX, Powder XRD and VSM and its catalytic activity was investigated for the synthesis of spirooxindole derivatives. Utilizing the ferromagnetic nature of core Fe2O3 nanoparticles, the encapsulated catalyst could be easily retrieved from the reaction mixture after completion of the reaction by using an external magnet. The catalyst was reused up to six runs with remarkable catalytic activity. The main advantages of this synthetic approach lie in its operational simplicity, cost effectiveness, higher yields, easy catalyst recyclability and reusability, eco-friendly procedures and shorter reaction times. Mechanistic studies for the organic transformations were also carried out to determine. The catalytic role of thiamine hydrochloride using a computational method viz. DFT: B3LYP. Also, the anthelminthic assay of the synthesized spirooxindoles was evaluated against raillietina sp and syphaciaobvelata and the results showed profound anthelmintic activities.
Hossein Mostafavi
University of Tabriz ,Iran
Title: Synthesis and biological evaluation of novel 3,4,5-trihydroxy benzoic acid derivatives
Biography:
Hossein Mostafavi is a professor working in Departmentof organic Chemistry & Biochemistry, Faculty of Chemistry, University of Tabriz. He published more than 50 peer-reviewed publications in many reputed journal
Abstract:
A diversity of biological activities and pharmaceutical uses have been attributed to phenolic acid derivatives such as antibacterial, anticancer, antiinflammatory (1-3).
A series of 3,4,5-trihydroxy benzoic acid derivatives were synthesized and their structure confirmed by FT-IR, 1HNMR, 13CNMR, elemental analysis.
In vitro biological activity of compounds was determined against proteus vulgaris ATCC 7829, Escherichia coli ATCC 25922, as (Gram-negative) bacteria and bacillus cereus ATCC 11778, Staphylococus aureus ATCC 6538 as (Gram-positive) bacteria. Antibacterial susceptibility tests was done by use of the paper disc diffusion method on Mueller Hinton agar (Merck). Chloramiphenicol, Penicilline, Streptomycin and Tetracycline were standard reference antibiotics. The zone of inhibition against bacteria was mearsured after 24 hours at 37°C. Compounds 3, 4, 5 were the main antibacterial compounds against Gram-negative bacteria but not Gram-positiv.
Konstantin Chingin East China University of Technology, Nanchang
East China University of Technology, China
Title: Direct nanoelectrospray ionization analysis of untreated biological samples
Biography:
Konstantin Chingin received his Ph.D at ETH Zurich (2010). He was a postdoc in the group of Prof. Richard N. Zare at Stanford University (2010-2011). He was a research fellow hosted by Prof. Roman Zubarev at Karolinska Institute, Stockholm (2011-2013). He is a full professor of Analytical Chemistry at East China University of Technology (2013-present). He published more than 50 peer-reviewed publications in SCI journals including PNAS, Angew. Chem., Anal. Chem., Chem. Commun., Mol. Cell. Prot., Sci. Rep.,etc. H-index = 20. His research is mainly focused on bioanalytical mass spectrometry
Abstract:
Nanoelectrospray ionization mass spectrometry (nESI-MS) is now a major approach for chemical analysis in various disciplines, including biology, medicine, chemistry, etc. However, nESI-MS analysis of untreated biological samples containing large concentrations of metal salts presents serious challenge due to the problems of the ion suppression, frequent capillary clogging and electric discharge. These problems seriously deteriorate the performance and are broadly recognized.
Here we describe our approach based on the ion current limitation by high-ohmic resistor combined with polarity reversing for the online desalting and sequential molecular analysis of various untreated biological samples, such as liquid, juicy, viscous samples, including those with extremely high salt concentration, without any pretreatment. This mode of analysis has many advantages over conventional ESI, nESI and other types of MS analysis. The combination of ion current limitation with polarity reversing to overcomes the key problems of conventional nESI, such as poor stability and reproducibility, while retaining its beneficial performance characteristics, such as nanoflow rate of sample consumption (< 1 nL/min) as well as the high sensitivity of analysis. Analytical performance is demonstrated for the broad range of vapor, solid, liquid and viscous biological samples. We believe that the proposed approach may solve many current problems in nESI-MS and significantly advance direct mass spectrometry analysis of untreated biological samples.
Biography:
MEHDI IRANI has completed his PhD at the age of 25 years from Sharif University of Technology. Now, he works at University of Kurdistan as an assistant professor. Mehdi is a theoretical chemist working mainly on enzymatic reactions..
Abstract:
Glyoxalase I (GlxI) is a member of the glyoxalase system, which is important in cell detoxification and converts hemithioacetals of methylglyoxal (a cytotoxic byproduct of sugar metabolism) and glutathione into D-lactate. GlxI accepts both S and R enantiomers of hemithioacetal, but converts them to only the S-D enantiomer of lactoylglutathione. Interestingly, the enzyme shows this unusual specificity with a rather symmetric active site (a Zn ion coordinated to two glutamate residues; Glu-99 and Glu-172). Recently, we have studied different aspects of the GlxI reaction in four separate works using computational chemistry methods [1–4]. Our Molecular dynamics simulations and hybrid quantum mechanics/molecular mechanics calculations show that Glu-172 is more flexible and basic than Glu-99 in the catalytic reaction of GlxI and is much closer to flexible loops inside the protein. In addition, the higher basicity and flexibility of Glu-172 may explain the special stereospecificity of GlxI.
Raghuram Gujjarappa
National Institute of Technology Manipur, India
Title: Pd-Catalyzed Decarboxylation and Dual C(sp3)−H Functionalization Protocols for the Synthesis of 2,4-Diarylpyridines
Biography:
Raghuram Gujjarappa obtained M.Sc. in 2014 from Indian Academy Degree College under Bangalore University, Bangalore, India. He then moved to National Institute of Technology Manipur, Imphal, India for doctoral research work with Dr. Chandi C. Malakar in the field of metal catalysis and organocatalytic chemistry. In 2016, he received GATE Fellowship from the MHRD for his doctoral research work. Currently, he is working as a Senior Research Fellow (SRF) at Department of Chemistry National Institute of Technology Manipur under the supervision of Dr. Chandi C. Malakar. His research focuses on transition-metal catalyzed C-H activation, organocatalysis, domino reactions, and multi-component reactions.
Abstract:
The Pd-catalyzed decarboxylation and dual C(sp3)-H bond functionalization approaches have been described for the preparation of symmetrical and unsymmetrical 2,4-diarylpyridines. The developed transformations were realized using nonactivated aromatic ketones and amino acids as C-N sources. The efficacy of the catalyst and reagent combination drives the transformation toward the formation of desired products with high yields and selectivity. The described reaction conditions have seduced the self-reaction of phenylalanine via [2 + 2 + 2] cycloaddition and minimized the formation of 3,5-phenylpyridine as a side product, whereas using glycine as a C-N source, the corresponding 2,6-diarylpyridines were formed as minor products.
Kulbhushan Rana
Punjabi University, India
Title: Synthesis, in vitro Anticancer and Antimicrobial Evaluation of Novel Substituted Dihydropyrimidines
Biography:
Abstract:
Background: Anticancer drug discovery and development is one of the most essential and rapidly changing avenues for medicinal chemist. The requirement for new chemotherapeutics in cancer is evident due to the limited capacity of drugs to cure or significantly prolong the survival of patients with disseminated tumours or certain leukemias. Despite large number of antibiotics and chemotherapy available for medicinal use, the treatment of infectious diseases still remains an important and challenging problem.Pyrimidines are found to possess as biomimetic and reactive pharmacophores due to their diverse medicinal properties such as anti-viral, anticancer, antibacterial, antihypertensiveand calcium channel blockers.
Objective: To synthesize new dihydropyrimidine derivatives and check their anticancer, antibacterial and antifungal activities.
Methods: A series of 1,4-dihydropyrimidine derivatives were prepared from Biginelli reactions by using ethyl acetoacetate, substituted benzaldehyde and thiourea in the presence of piperidine and ethanol. The compounds were reacted with dimethylsulphate, diethylsulphate, butyl bromide and benzyl chloride to give the new series of compounds. The structures of the newly synthesized compounds were established by IR, 1H NMR, Mass spectra and elemental analysis. The synthesized compounds were evaluated for theirin-vitro anticancer activity by using SRB assay method against the growth of four humans cancer cell lines, antibacterial activity against Staphylococcus aureus, Bacillus subtilis, Pseudomonas aeruginosa, Escherichia coli and for antifungal activity against Candida albicans and Aspergillus niger.
Results: The compounds exhibited good anticancer activity and moderate antibacterial and antifungal activities.Some of these dihydropyrimidine derivates showed significant anticancer activity when compared with the doxorubicin as a standard reference drug.
Conclusion: The results of anticancer activity evaluation demonstrated that the in vitro anticancer effect of some of the synthesized compounds are significant, however still there is a need for further exploration of these for other synthetic & biological possibilities so that this skeleton can be used as a novel anticancer scaffold for further modification and design of novel potent compounds.
Premlata Kumari
S.V. National Institute of Technology, India
Title: Identification and Quantification of Three Xanthones and Two Polyisoprenylated Benzophenones Simultaneously in fruit rind of Eight Garcinia Species via Validated UHPLC-PDA Method
Biography:
Dr. Premlata Kumari, is Associate professor and Former head of the Applied Chemistry Department, S.V. National Instiute of Technology, Surat, Gujarat, India. She has completed her PhD at the age of 27 years from University of Allahabad. Three research scholars awarded Ph.D degree and five are working currently under her supervision. On her credit she has about 10 book chapters and 50 research papers published in reputed peer reviewed journals. She has been serving as a reviewer for many journal of repute.
Abstract:
Xanthones and polyisoprenylated benzophenones (PIBs) are two significant classes of plant secondary metabolites with a wide range of bioactivities. Garcinia species synthesize numerous xanthones and PIBs. Till now no method available claiming simultaneous identification and quantification of three xanthones, α-mangostin, β-mangostin, γ-mangostin, and two PIBs, xanthochymol, isoxanthochymol. Methodology & Theoretical Orientation: A validated ultra-HPLC (UHPLC)- photodiode array (PDA) method for the simultaneous identification and quantification of five compounds in different extracts of eight Indian Garcinia species was developed. The compounds were separated on a Waters ACQUITY™ UPLC H-Class column using a mobile phase consisting of solvents 0.1% formic acid in water (A) and methanol (B) in gradient elution mode. The total run time was 9 min. Conclusion & Significance: From fruit rinds of eight Indian Garcinia species, namely Garcinia cambogia, G. cowa, G. indica, G. loniceroides, G. mangostana, G. morella, G. pedunculata, and G. xanthochymus, extracts were prepared using solvents of varying polarity. These extracts were analyzed for five biologically important compounds, namely α-mangostin, β-mangostin, γ-mangostin, xanthochymol, and isoxanthochymol. The results revealed that there is a wide variation in concentration of these compounds in extracts of Garcinia species. The developed and validated UHPLC-PDA method could be used for simultaneous identification and quantification of these five compounds for bioprospection of other Garcinia species.
Tofik Nagiev
Baku State University, Azerbaijan
Title: Selective oxidation of 2-picoline by “green oxidant†- N2O
Biography:
Tofik Nagiev is a Vice-president of Azerbaijan National Academy of Sciences, Director of Research Center of “Azerbaijan National Encyclopedia” and Department chief of Nagiev Institute of Catalysis and inorganic chemistry of ANAS. The Professor of the department of the physical and colloid chemistry of Baku State University.
He is author of the monography “Coherent Synchronized Oxidation Reactions by Hydrogen Peroxide”, Amsterdam: “Elsevier”, p. 325, 2007.
Abstract:
In recent years, nitrous oxide has been used as a selective oxidizing agent for the conversion of pyridine bases [1–2]. In this regard, we have experimentally studied oxidation of 2-picoline by nitrous oxide in the gas phase, without the use of catalysts, at atmospheric pressure.
For the first time, 2,2-ethylene dipyridine and 2,2-methylenedipyridine were obtained as a result of oxidation of 2-picoline by nitrous oxide. It was experimentally demonstrated that the yields of 2.2 ethylenedipyridine and 2,2-methylenedipyridine were as 30.3 wt.% and 1.5 wt.%, respectively. It was also shown that in the system of coherently synchronized free-radical reactions of nitrous oxide thermal decomposition and 2-picoline oxidation, the dimerization of 2-picoline mainly occurs.
Thus, the reaction of 2-picolinan oxidation by nitrous oxide demonstrates new development in heterocyclic synthesis, whereby 2,2-ethylene dipyridine was synthesized. The region where the reaction of coherently-synchronized oxidation of 2-picoline by nitrous oxide selectively occurs was identified and optimal conditions for obtaining the above products, necessary in the petrochemical, chemical, and pharmaceutical industries, were found.
Biography:
Abstract:
In this study, conducting polymer – SiO2 hybrid conductive strain sensors fabricated via simultaneous co-vaporization of conductive polymer (CP) with tetraethyl orthosilicate (TEOS) are reported. Poly(3,4-ethylenedioxythiophene) (PEDOT) and polypyrrole (PPy) systems prepared using the oxidant, iron (III) p-toluenesulfonate(FTS) with thermoplastic polyurethane (TPU) as the substrate are both explored and the effect of hybridization on the sensing performance and mechanical properties of the sensors was investigated. The SiO2 was formed mostly on the surface and the CP was still successfully polymerized within the TPU matrix. It was found out that the hybrid sensor had enhanced mechanical property, specifically, greater stretchability than its pristine counterpart. Electromechanical test at stretch-release cycles have shown that hybridization is able to enhance relative resistance of the sensor, thereby improving its sensitivity. The use of VPP in creating organic-inorganic hybrid sensor was demonstrated. The combined elastic property and processability of the elastomer, the conductive property of the conducting polymer, the mechanical versatility of the silica and the advantages of the VPP process was successfully integrated in this study.
Biography:
Abstract:
Land leveling is one of the most important steps in soil preparation for agricultural and other purposes. . New techniques based on artificial intelligence, such as Artificial Neural Network, integrating Artificial Neural Network and Imperialist Competitive Algorithm (ICA-ANN), or Genetic Algorithms (GA-ANN), or Particle Swarm Optimization (PSO-ANN) have been employed for developing predictive models to estimate the energy related parameters and the results were compared to SPSS and Sensitivity Analysis results. In this study, several soil properties such as cut/fill volume, compressibility factor, specific gravity, moisture content, slope of the area, sand percent, and swelling index were measured and their effects on energy consumption were investigated. Totally 90 samples were collected from 3 land areas by grid size of 20m×20m. The aim of this work was to develop predictive models based on artificial intelligence techniques to predict the environmental indicators of land leveling . Results of sensitivity analysis illustrated that only three parameters consist of soil density, soil compressibility, and soil cut/fill volume had meaningful effects on energy consumption. Among the proposed methods, the GA-ANN had the most capability in prediction of the environmental energy parameters. However, for prediction of LE and FE the ANN and ICA-ANN algorithms had better performance.
On the other hand, SPSS software had higher R 2 value than Minitab software and sensitivity analysis and in fact close to the ANN values. Keywords: Energy; Imperialist competitive algorithm; Sensitivity analysis; ANN; Land levelling; Environmental indicators.
Avisikta Upadhyay
Indian Institute of Science Education and Research, India
Title: Development of Pro-transporters with Enzyme-cleavable Anion Transport Activity
Biography:
Abstract:
Biological membranes are primarily self-assembled phospholipid structures, which play crucial role in the survival of living cells by protecting these from the extreme external environments. Although, hydrophobic species such gases, small organic molecules can pass through the lipid membranes, the permeation of hydrophilic entities e.g. inorganic cations, inorganic anions, amino acids, ATP, proteins etc. are prevented completely. Therefore, nature has developed membrane proteins, which allow the selective transport of ions to regulate the cellular pH, osmotic pressure, and also help in the cellular signalling process. The transport of ions across biological membranes is facilitated by molecules that act either as carriers or channels. Channels are usually membrane-bound proteins, while carriers may or may not be membrane-associated. Carriers that shuttle their guests from one side of the membrane to the other side of the membrane need to be lipophilic enough to diffuse through the hydrophobic part of the bilayer. Channels, on the other hand, typically traverse the width of the bilayer membrane and provide a hydrophilic pathway for ions to move across the phospholipid barrier.
Any defect in these channel forming proteins, mainly caused by mutation, results in the imbalance of ion transport process, leading to different types of diseases. For example, cystic fibrosis, Bartter syndrome, Dent’s disease, Myotonia, epilepsy, hyperekplexia, lysosomal storage disease, etc. are diseases, which are caused by the dysfunction of chloride channel forming proteins. There are also evidences that chloride flux has direct correlation to cell death via impairing the intrinsic pathway of apoptosis, without effecting the extrinsic pathway. Considering the role of apoptosis in cancer, there has been tremendous interest in developing synthetic ion transporters which facilitate are capable of selectively transport the Cl- at low concentration. For example, Prodigiosin and ceramide, naturally occurring anionophores have shown significant anion-transport ability and anticancer activity. The diamide-strapped calix[4]pyrroles, reported by Sessler et al. transport Cl- and Na+ to the intracellular region of cell, and bis-sulfonamide, bis-diol derivatives, reported by our group, transport Cl- in to the cell via ion carrier and channel forming mechanism. The increase of Cl- ion concentration in the cell by the transporter molecules leads to reactive oxygen species generation followed by cytochrome-c release from the mitochondria, which subsequently resulted in the apoptosis, so called program cell death.
However, many of the channels forming molecules are too large to be considered as a drug like molecules. Therefore, there has been recent interest in developing small synthetic transporter molecules which are capable of transporting anions across plasma membrane via mobile carrier mechanism. These small molecules can bind with complex anionic guest by employing electrostatic interactions like hydrogen bonding, anion-π interactions, halogen bonds, anion dipole interactions etc.
Zhiwei Miao
Nankai University School of Chemistry, China
Title: Diastereoselective Synthesis of Cyclopentene Spiro-rhodanines Containing Three Contiguous Stereocenters via Phosphine-catalyzed [3+2] Cycloaddition or One-pot Sequential [3+2]/[3+2] Cycloaddition
Biography:
Abstract:
Konstantin Chingin
University of Technology, China
Title: Direct nanoelectrospray ionization analysis of untreated biological samples
Biography:
Konstantin Chingin received his Ph.D at ETH Zurich (2010). He was a postdoc in the group of Prof. Richard N. Zare at Stanford University (2010-2011). He was a research fellow hosted by Prof. Roman Zubarev at Karolinska Institute, Stockholm (2011-2013). He is a full professor of Analytical Chemistry at East China University of Technology (2013-present). He published more than 50 peer-reviewed publications in SCI journals including PNAS, Angew. Chem., Anal. Chem., Chem. Commun., Mol. Cell. Prot., Sci. Rep.,etc. H-index = 20. His research is mainly focused on bioanalytical mass spectrometry.
Abstract:
Nanoelectrospray ionization mass spectrometry (nESI-MS) is now a major approach for chemical analysis in various disciplines, including biology, medicine, chemistry, etc. However, nESI-MS analysis of untreated biological samples containing large concentrations of metal salts presents serious challenge due to the problems of the ion suppression, frequent capillary clogging and electric discharge. These problems seriously deteriorate the performance and are broadly recognized.
Here we describe our approach based on the ion current limitation by high-ohmic resistor combined with polarity reversing for the online desalting and sequential molecular analysis of various untreated biological samples, such as liquid, juicy, viscous samples, including those with extremely high salt concentration, without any pretreatment. This mode of analysis has many advantages over conventional ESI, nESI and other types of MS analysis. The combination of ion current limitation with polarity reversing to overcomes the key problems of conventional nESI, such as poor stability and reproducibility, while retaining its beneficial performance characteristics, such as nanoflow rate of sample consumption (<1 nL/min) as well as the high sensitivity of analysis. Analytical performance is demonstrated for the broad range of vapor, solid, liquid and viscous biological samples. We believe that the proposed approach may solve many current problems in nESI-MS and significantly advance direct mass spectrometry analysis of untreated biological samples.