Webinar on Catalysis and Chemical Science - Scientific Group...Title: Enantioselective Photoinduced...

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Catalysis Virtual Summit 2020

Group

Webinar on Catalysis and Chemical Science29 August, 2020 | 12:00 to 19:00 (GMT)

Theme:Advanced Research and Techniques on

Catalysis and Chemical Science

Page 2

Webinar

Time Zone (GMT)

Speaker

Time Zone

12:10 - 12:50 14:10 - 14:50

Title: Photocatalysis with main group sulphides: Visible light activity,

mechanisms and combination with enzymes for photoinduced water

splittingJose Carlos Conesa Cegarra, Institute of Catalysis and

Petroleochemistry, CSIC, Spain

12:50 - 13:30 15:50 - 16:30Title: Reaction Kinetics in Chemical EngineeringChristo Boyadjiev, Institute of Chemical Engineering, Bulgarian

Academy of Sciences, Bulgaria

13:30 - 13:50 19:00 - 19:20Title: Mesoporous Metal Phosphates Based Catalytic Materials for Biomass

Conversion into Chemicals and Fuels Abhinav Kumar, Indian Institute of Technology Ropar, India

13:50 - 14:10 18:20 - 18:40

Title: Evaluation of the inhibitory effects of some new chemical compounds

on the activity of mushroom tyrosinaseAtiyeh Mahdavi, Institute for Advanced Studies in Basic Sciences

(IASBS), Iran

14:10 - 14:30 17:10 - 17:30Title: Developing Ni based catalysts for green diesel productionEleana Kordouli, University of Patras, Greece

14:30 - 14:50 22:30 - 22:50Title: Enantioselective Photoinduced Cyclodimerization of

2-Anthracenecarboxylic Acid Adsorbed on Helical NanostructuresZhifeng Huang, Hong Kong Baptist University, China

14:50 - 15:10 11:50 - 12:10Title: Palladium catalysts supported on carbonates - synthesis and

application in the dynamic kinetic resolution of primary amines

Fernanda Amaral de Siqueira, Federal University of Sao Paulo, Brazil

15:10 - 15:30 16:10 - 16:30Title: Sustainable Development of Bioenergy from Agriculture Residues and

Environment

Abdeen Mustafa Omer, Energy Research Institute (ERI), Nottingham, UK

15:30 - 15:50 21:00 - 21:20Title: Electrochemical studies of catalysts on carbon surface with quantum

chemical evidences

Gururaj Kudur Jayaprakash, Shoolini University, India

15:50 - 16:10 21:20 - 21:40Title: Catalysis for carbon reclamation from municipal solid waste

Hitesh Suresh Pawar, Institute of Chemical Technology Matunga Mumbai,

India

16:10 - 16:30 17:10 -17:30Title: Self-assisted photocatalytic water treatment promoted by graphitic

carbon nitride

André Torres-Pinto, University of Porto, Portugal

Oral Presentations

Keynote Presentations

29-Aug-202012:00-12:10 | Introduction

Page 3

Poster Presentation

END NOTE

18:10 - 18:30 21:10 - 21:30

Title: Catalysts and Co-catalysts effect On The Thermal Decomposition

Of Potassium Peroxydisulphate In Aqueous Solution at 70OC

Mustafa. Jaip Allah Abdelmageed Abualreish, Northern Boarders

University, Saudi Arabia

18:30 - 18:50 02:30 - 02:50Title: Innovated application of RCM in stereoselective heterocycle

synthesis

Chen Muzi, Raffles Institution, Singapore

18:50 - 19:10 20:50 - 21:10Title: Synthesis and Characterization of Acidic Hierarchical Mesoporous

Acidic ZSM-5 Zeolites

Seham A. Shaban, Egyptian Petroleum Research Institute, Egypt

16:30 - 16:50 22:00 - 22:20Title: Clay Supported Copper as Green catalyst for Organic reactions

Bashir Ahmad Dar, Govt. Degree College Sopore Jammu & Kashmir, India

16:50 - 17:10 19:50 - 20:10Title: Novel Inhibitor For Covid-19 From Zinc Nano-Based AZA-PC and

CQDS

Fadi Ibrahim, Saad Bin-Alrabee Alansari School, Kuwait

17:10 - 17:30 19:10 - 19:30Title: Self-assembled oligoethylene glycols for air-stable molecular

electronics and in operando modulation

Xinkai Qiu, University of Groningen, The Netherlands

17:30 - 17:50 23:00 - 23:20Title: Prediction of the mechanism of the catalysis of environmental sulfur

compounds by dsr operon- A Bioinformatics Approach

Angshuman Bagchi, University of Kalyani, India

17:50 - 18:10 23:20 - 23:40

Title: Active sites in heterogeneous catalysts: Their nature and

determination

Narasimhaiah NAGARAJU, St. Joseph’s College Post graduate and

Research Centre, India

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29 August, 2020

Webinar on Catalysis and Chemical Science

Keynote Forum

https://irisscientificgroup.com/conferences/catalysis-and-chemical-science/webinar/

Page 6https://irisscientificgroup.com/conferences/catalysis-and-chemical-science/webinar/

29 August, 2020Webinar on Catalysis and Chemical Science

Photocatalysis with main group sulphides: Visible light activity, mechanisms and combination with enzymes for photoinduced water splittingR. Lucena1, C. Tapia1, C. Jarne1, L. Paul1, S. Zacarias2, I.A.C. Pereira2, S. Shleev3, J.C. Conesa1, M. Pita1, A.L. De Lacey1

1Inst. de Catalisis y Petroleoquímica, CSIC, Madrid, Spain2Inst. de TecnologiaQuimica e Biologica, Univ. Nova de Lisboa, Oeiras, Portugal3Biomedical Sciences, Fac. of Health and Society, Malmö University, Sweden

Jose Carlos Conesa Cegarra

Institute of Catalysis and Petroleochemistry, CSIC, Spain

Main group sulphides like In2S3, SnS2 or ZnIn2S4, with bandgaps in the 2.0-2.2 eV range, can use significant amounts of visible light. In this keynote lecture I will give an overview of the studies on these sulphides that we have undertaken in

the last 10 years.

We have shown in earlier studies (R. Lucena et al., Catal. Comm. 20 (2012) 1; ibid. Appl. Catal. A 415–416 (2012) 111; “Current Development of Photocatalysis”, X. Wang, X. Fu & M. Anpo Eds., Elsevier (2020))that these sulphides are active in the photodegradation of aqueous HCOOH with photons having wavelengths ≤ 650 nm. They are also more photoactive in the same reaction than the typical reference compound CdS, and the first two (especially SnS2) are also more resistant to photocorrosionthan the same photocatalystCdS, as shown by the analysis of sulphide components detected in solution.

Besides, by substituting in In2S3 and SnS2 part of the In and S atoms by vanadium we showed (R. Lucenaet al. J. Mater. Chem. A 2 (2014) 8236; P. Wahnón et al., Phys. Chem. Chem. Phys. 13 (2011) 20401) that one can extend the photocatalytic response in the same reaction to longer wavelengths, covering the full visible light range. For In2S3 we could also show, using photoluminescence spectra, that photon upconversion occurs in the same wavelength range where the photocatalytic response is broadened. This means that the so-called in-gap band (IGB) phenomenon, which we predicted to occur in this system with DFT and GW-type calculations, is in operation. The extension of the photocatalytic response of SnS2 may have the same origin.

Also with In2S3 we have been able to study in depth the mechanism of the photodegradation by visible light of the Rhodamine B dye (R. Lucena et al., “Current Development of Photocatalysis”, X. Wang, X. Fu & M. Anpo Eds., Elsevier (2020) ), evidencing that the attack of the core aromatic rings depends on the presence of O2 while the attack to the N-based alkyl residues does not require O2, being based rather on the generation of OH radicals.

More recently we have undertaken the study of their combination with enzymes for photoinduced water splitting. Thus, combining In2S3 with a hydrogenase enzyme allowed the photocatalytic generation of H2 using a sacrificial agent (C. Tapia et al., ACS Catal. 6 (2016) 5691); the results suggested furthermore that the process was not limited by the transfer of electrons from the semiconductor to the enzyme. Later we have verified, for the first time ever, the photoelectrochemical generation of O2 coupling a laccase-type enzyme with these sulphides; first with In2S3 (C. Tapia et al., ACS Catal. 17 (2017) 4881) and later with SnS2 (C. Jarneet al., ChemElectroChem 9 (2019) 2755). It could be shown that a substantial decrease in the overvoltage needed was found in the presence of light. There were some problems with the stability of these enzymes in these O2photogeneration conditions; as expected, SnS2 could be shown to be more stable than In2S3.

Audience Take Away:

• First, the presentation will show how efficient photocatalytic processes can be achieved with visible light using main group sulphides.

• The possibility of implementing effectively the so-called in-gap band, extending the photocatalytic response of these sulphides, will be also evidenced.

• The possibility of investigating in detail photocatalytic reaction mechanisms of these sulphides, using the Rhodamine B dye as example, will be shown as well.

• The audience will learn that it is possible to couple these sulphide semiconductors with electroactive enzymes, which contain only very common metals (Ni and Fe in the hydrogenase case, Cu in the laccase case), in order to evolve H2 or O2 under irradiation with light.

BiographyDr. J.C. Conesa entered the permanent scientific staff of its institute in 1979, obtaining the maximum scientific level (Research Professor) in 2004. He was in its institute Department Director in the late nineties, ViceDirector from 2010 to 2014 and Institute Director from 2014 to 2018; belonging now to its Scientific Advisory Committee.He participated in European projects of several Framework Programmes; also in several COST Actions, being involved now in one devoted to modeling of catalysts for water splitting. He belongs to the Steering Committee of AMPEA, a Joint Programme of the European initiative EERA devoted to sustainable energy research.



Reaction Kinetics in Chemical EngineeringChristo BoyadjievInstitute of Chemical Engineering, Bulgarian Academy of Sciences, Bulgaria

In the lecture is presented a theoretical analysis of the role of the reaction kinetics in chemical engineering for the solution of the main problems in the chemical industry (biotechnology, heat energy), i.e. the optimal design of new devices and the

optimal control of active processes. The thermodynamic and hydrodynamic approximations for the modeling of the industrial process rates are presented and analyzed.The industrial processes are the result of reactions, i.e. creation or disappearance of a substance and (or) heat as a result of chemical and (or) physical processes and their rate is determined by the reaction kinetics.

The reactions deviate the systems from the thermodynamic equilibrium and as a result processes arise, who are trying to restore that equilibrium. The rate of these processes can be determined by Onsager's "linearity principle", where the rate of the process depends linearly on the deviation from the thermodynamic equilibrium. The Onsager’s linearity coefficient can be determined after solving the hydrodynamics, mass transfer and heat transfer equations, where it is proportional to the mass transfer (heat transfer) coefficient. The relations between the Onsager’s linearity coefficient and mass transfer coefficient are presented for different processes.

Audience Take Away:

Theoretical foundations of the modeling and simulation in chemical engineering.

BiographyEducation and degrees: 1. Education (1954 – 1960) - Higher Institute of Chemical Technology (Sofia, Bulgaria); 2. PhD (1968) – USSR, Moscow Institute of Chemical Mechanical Engineering; 3. Doctor of Technical Sciences (1978), Higher Institute of Chemical Technology (Sofia, Bulgaria).Specializations: 1963, USSR, Moscow, Supervisor-Prof. V.G. Levich, 4 months; 1968, USSR, Novosibirsk, Supervisor-Prof. M.G. Slinko, 4 month.Awards: Bulgarian Order of Cyril and Methodius (first class); Russian Federation Order of MihailoLomonosow (National Committee for Public Prizes).International activity: Editor-in-Chief of the “Transactions of Academenergo” (Scientific journal of the Russian Academy of Science); Chairman of the Scientific Council of the International Scientific Centre for Power and Chemical Engineering Problems (http://www.int-sci-center.bas.bg).

29 August, 2020


Oral Sessions




Mesoporous Metal Phosphates Based Catalytic Materials for Biomass Conversion into Chemicals and FuelsAbhinav KumarIndian Institute of Technology Ropar, India

My presentation will be focused on the synthesis and catalytic applications of metal phosphates for biomass conversion into value-added chemicals and fuels. The presentation will start with a brief introduction to biomass conversion for

renewable and fine chemicals' sustainable development. In this section, various strategies for efficient biomass conversion, and their utilization for sustainable development will be discussed. Then I will discuss the synthesis and characterization of metal phosphate followed by their applications in various important biomass transformations, for example, carbohydrates to 5-hydroxymethylfurfural conversion, 5-hydroxymethylfurfural oxidation into 2,5-diformylfuran, levulinic acid to gamma-valerolactone conversion, and many more. The correlation of activities of the metal phosphates with their Lewis and Brönsted acidities will also be presented. At the end of my presentation, future perspectives, and directions for the development of new strategies for the production of new biomass-derived value-added chemicals will be discussed.

Audience Take Away:

• This presentation will motivate the researchers and industrialists to work on biomass for the production fuel and chemicals.

• The presentation also highlights the development of low cost, easy to fabricate, and highly active multifunctional catalytic materials.

• The careful design of a catalyst with defined active sites will also be discussed.

• Also, the audience will get new ideas to work on biomass.

BiographyAbhinav Kumar is a Senior Research Scholar in the Department of Chemistry at the Indian Institute of Technology Ropar, India. He qualified Graduate Aptitude Test in Engineering (GATE) in 2016 and joined as a Research Fellow in July 2016. Currently, he is working in a catalysis research group under the supervision of Dr. Rajendra Srivastava (Associate Professor), Department of Chemistry, IIT Ropar, India. His research thesis focuses on the synthesis and catalytic applications of low cost, easy to fabricate, and highly active Metal oxide/phosphate-based purely heterogeneous catalytic materials, especially for biomass transformations. Also, he is working on the synthesis and applications of graphitic carbon nitride-based photocatalytic materials.



Evaluation of the inhibitory effects of some new chemical compounds on the activity of mushroom tyrosinaseNahidMohammadsadeghi (Msc)1, Atiyeh Mahdavi2 (PhD), Fakhrossadat Mohammadi3 (PhD), Fariba Saadati4 (PhD)1MSc student in institute for advanced studies in basic sciences (IASBS)2Faculty member in department of biological sciences in IASBS3Faculty member in department of chemistry in IASBS4Faculty member in deprtment of chemistry in the University of Zanjan and the University of British Columbia

Atiyeh MahdaviInstitute for Advanced Studies in Basic Sciences (IASBS), Iran

Tyrosinase (EC 1. 14. 18.1) is a copper-containing enzyme widely distributed in microorganisms, animals, and plants. It catalyzes two distinct reactions in melanin biosynthesis, the hydroxylation of L-tyrosine by monophenolase action and the

oxidation of L-DOPA to the corresponding o-dopaquinone by diphenolase activity. Although melanin production is beneficial and protective for organisms, its abnormal production and distribution can cause several problems such as hyperpigmentation, melasma, skin spots, ephelides (freckles), etc. Studying tyrosinase inhibitors and activators and discovery new compounds in this field has attracted a lot of research interests for their broad applications in medicinal, food, agriculture, pharmaceutical and cosmetic industries. In the present study, some new chemical compounds were synthesized. All reactions were monitored by TLC and the spots were visualized with UV light. The structures of the synthetic compounds were finally confirmed by spectral data (1H NMR and 13C NMR) and their effects on mushroom tyrosinasediphenolase activity were then investigated for the first time. The results revealed that all compounds had inhibitory effects on the enzyme activity at low concentrations. The modes of the inhibition were determined by kinetic studies. Evaluation of the enzyme-ligand interactions was also carried out using fluorescence quenching and molecular docking approaches. Analysis of the intrinsic fluorescence spectra showed that desired compounds quenched the fluorescence emission of the enzyme. The CD spectra of the enzyme treated with ligand showed its secondary structure has affected by the ligand binding. Molecular docking data revealed more details of enzyme-ligand interactions. The results totally suggest that these compounds can be considered as the candidates for tyrosinase inhibition.

Audience Take Away:

• The discovery of new natural or synthetic chemicals with the inhibitory effects on tyrosinase enzyme is very important in agriculture and food industries and these compounds can inhibit the unfavourable browning of raw vegetables and fruits.

• The discovery of new natural or synthetic chemicals with the inhibitory effects on tyrosinase enzyme is very important in treatment of dermatological disorders, such as senile lentigo, melasma, age spots and freckles.

• Development of safe and effective tyrosinase inhibitors as insecticides can also be undoubtedly important for insect control.

• The discovery of new natural or synthetic chemicals with the activatory effects on tyrosinase is very important in treatment of some disorders such as vitiligo.

BiographyDr. Atiyeh Mahdavi, PhD in biochemistry, Faculty member in department of biological sciences of institute for advanced studies in basic sciences (IASBS) Research interests:• Enzymology,• Ligand-binding (investigation of the inhibitory or activatory effects of newly synthetic or natural compounds on the industrially or pharmaceutically important proteins and enzymes (especially the study of the effects of chemical compounds on tyrosinase and Hsp90 chaperone). • Isolation and characterization of new enzymes active in harsh conditions from bacteria



Developing Ni based catalysts for green diesel production Eleana Kordouli, Ph.D., IoannisNikolopoulos, MSc, Nikos Mourgkogiannis, MSc, Sotiris Lycourghiotis, MSc, George Petropoulos, MSc, John Zafeiropoulos, MSc, HrissiKarapanagioti, Assoc. Prof., Kyriakos Bourikas, Assoc. Prof., Christos Kordulis, Prof., Alexis Lycourghiotis, Prof.University of Patras, Greece

Triglycerides-based biomass such as plant oils and animal fats can be used for the production of biodiesel (Fatty Acid Methyl Esters- FAME) and green diesel (C12-C20 Hydrocarbons). The competition between foods and biofuels sources and the

world food crisis have raised interest for alternative non–edible or waste feedstocks. The advantage of the latter concerns their low cost and the protection of water environment from their disposal. Waste triglyceride biomass is a difficult feedstock for FAME production because of its high free fatty acid content. FAME as biofuel has been already widely used, although it has crucial disadvantages due to the oxygen presence. On the other hand, green diesel is an oxygen free drop in fuel, produced via hydrotreatment following co-processing of waste triglyceride feedstock with a petroleum fraction or the stand alone methodology (SAM). Conventional HDS catalysts have extensively studied for SAM also. However, their performance is not stable in case that a sulfur containing compound is not added in the feed. To overcome this difficulty, research has turned towards metallic catalysts for the aforementioned process. Noble metal catalysts have proved very active but their cost is prohibiting for industrial application.

Some pioneer groups have tried to develop such catalysts based on base transition metals (e.g. Ni, Co, Fe, Cu, etc.). In the frame of this effort, our group has focused its recent research on the development of Ni based catalysts. The simultaneous achievement of high activity, selectivity for hydrocarbons in the diesel range with small amounts of branched hydrocarbons for obtaining good pour properties together with high catalyst stability and low hydrogen demand were our main targets. Considerable progress has been pointed out towards this ambitious goals. It seems that catalysts with high surface/active metal area, medium acidity and mesoporous structure and suitable formulation are very promising.

We have developed high Ni surface area Ni-Al2O3 or Ni-ZrO2 nanostructured catalysts with high nickel content following a co-precipitation method under severely controlled conditions. The promoting action of Cu, Zn, Mo and W, on these catalysts has extensively studied. The synergistic atomic ratios have been determined in each case and the mechanism of the promoting action has been investigated. In the frame of the same project, deposition-precipitation Ni catalysts have also prepared on various pre-existing supports (TiO2, SiO2, palygorskite, biochars etc.) and studied for green diesel production from various triglyceride feedstocks.

Audience Take Away:

• The importance of catalyst formulation and surface characteristics for green diesel production will be stressed.

• High active site density is very important for Ni catalysts used for green diesel production via hydrotreatment.

• Co-precipitation and deposition-precipitation under controlled conditions are suitable preparation methods for achieving Ni catalysts with high Ni content (>30%), dispersion and surface area ensuring thus high active site density.

• Mo and W exhibit the most important promoting action.

BiographyEleana Kordouli is a postdoctoral researcher in the laboratory of heterogeneous catalysis and interfacial chemistry for environmental applications, at the Department of Chemistry of the University of Patras. She received her Ph.D. in the field of Catalysis, entitled “Development of reduced Mo promoted Ni catalysts for biofuels production via hydrodeoxygenation” at the Department of Chemistry of the University of Patras, in 2017. She also holds her MSc in Catalysis for Environmental Protection and Clean Energy Production, from the same university. Dr.’s Kordouli research interests lie in the area of renewable energy sources and more specifically in the development innovative catalytic solid materials for biofuels production from waste biomass resources.



Enantioselective Photoinduced Cyclodimerization of 2-Anthracenecarboxylic Acid Adsorbed on Helical NanostructuresZhifeng HuangHong Kong Baptist University, China

The generation of molecular chirality in the absence of any molecular chiral inductor is challenging and of fundamental interestfor developing a better understanding of homochirality. In this talk, I will show the manipulation of molecular

chirality through controlof the handedness of helical metal nanostructures (referred to as nanohelices) that are produced by glancing angle depositiononto a substrate that rotates in either a clockwise or counterclockwise direction. A prochiral molecule, 2-anthracenecarboxylicacid, is stereoselectively adsorbed on the metal nanohelices as enantiomorphous anti-head-to-head dimers. The dimers showeither Si–Si or Re–Re facial stacking depending on the handedness of the nanohelices, which results in a specific enantiopreferenceduring their photoinducedcyclodimerization: a left-handed nanohelix leads to the formation of (+)-cyclodimers, whereasa right-handed one gives (–)-cyclodimers. Density functional theory calculations, in good agreement with the experimentalresults, point to the enantioselectivity mainly arising from the selective spatial matching of either Si–Si or Re–Re facial stackingat the helical surface; it may also be influenced by chiroplasmonic effects.

Audience Take Away:

• This work shows an unprecedent chirality transmission from the macro- to molecular scale;

• It provides a facile approach to manipulate molecular chirality, which has been long an important fundamental topic in modern Chemistry.

BiographyDr. Zhifeng Huang is Associate Professor in Department of Physics, and Associate Director (Nanomaterials) in Golden Meditech Centre for NeuroRegeneration Sciences at Hong Kong Baptist University. He is member of The Hong Kong Young Academy of Sciences, and serves as Vice President in Hong Kong Materials Research Society. Dr. Huang was presented 2019 TechConnect Innovation Award, Gold Medal with Congratulations of Jury (The 46th International Exhibition of Inventions of Geneva, 2018), Outstanding Research Achievement (APSMR, 2017 and 2018), the Prof. Rudolph A. Marcus Award 2016, the Incentive Award for Outstanding Research Achievement (Faculty of Science, HKBU, 2015), and National-level Technology Project Award for Advanced Individual (2012, 2014). He is serving asReview Editor for Frontiers in Chemistry, Associate Editor for Science Advances Today and Science Letters Journal (Cognizure). Dr. Huang, together with Prof. Ken Yung (Department of Biology, HKBU), co-founded a spin-off, Mat-A-Cell Ltd., to commercialize a new-generation medical device for cell culture.



Palladium catalysts supported on carbonates - synthesis and application in the dynamic kinetic resolution of primary aminesFernanda Amaral de SiqueiraFederal University of Sao Paulo, Brazil

Enantiomerically pure amines are useful building blocks in organic chemistry. One method that has become an exceedingly efficacious tool to synthesize these compounds is dynamic kinetic resolution (DKR). This methodology combines the

enzymatic kinetic resolution with in situ metal catalyzed racemization of the non-converted substrate. Many racemization catalysts have been reported including ruthenium complex, palladium nanoparticles, raney nickel and platinum. Among them, palladium metal supported on alkaline earth catalysts proved to be extremely attractive, because they avoid the occurrence of side reactions during the racemization step. The selectivity was assigned to the nature of the support. The objective of this work was to develop new metal palladium catalysts supported on different materials and loadings of the metal, followed by the application in the DKR of racemic amines. The inorganic materials chosen to support the catalysts were magnesium carbonate and the double carbonate of calcium and magnesium (Dolomite). The metal loading was varied from 2.5 to 10% of palladium in the metallic form. After complete characterization all the catalysts were used in the chemoenzymatic DKR mediated by Candida antarctica Lipase (CaL-B) and palladium. Ethyl, isoamyl and isopropyl acetates were used as the acyl donors. The effects of the temperature, acylating agent and reaction time were also studied. The corresponding acetamides were obtained in excellent yields and enantiomeric excesses.

Audience Take Away:

• The audience will be able to use what they have learned to improve the concepts concerning the dynamic kinetic resolution methodology.

• This will help the public by providing options for using alternative metal catalysts that can replace others described in the literature.

• This can help the audience in their research.

BiographyDr. Fernanda A. de Siqueira is an Associate Professor of Organic Chemistry at Federal University of São Paulo, São Paulo, Brazil. She obtained her undergraduate degree in Chemistry (2001) from Federal University of Juiz de Fora, Minas Gerais, Brazil.,Siqueira received her Ph. D. in Chemistry from the University of São Paulo at São Paulo in 2008. After 2 years as a postdoctoral fellow at University of Campinas (2008 and 2009), she was appointed to the Department of Chemistry at Federal University of São Paulo as a Lecturer. She was promoted to Associate Professor in 2018. Current research in the Siqueira’s Lab emphasize the preparation of metal heterogeneous catalysts and its application in the dynamic kinetic resolution, including total synthesis ofmolecules with potential biological activities.



Sustainable Development of Bioenergy from Agriculture Residues and EnvironmentAbdeen Mustafa OmerEnergy Research Institute (ERI), Nottingham, UK

This communication discusses a comprehensive review of biomass energy sources, environment and sustainable development. This includes all the biomass energy technologies, energy efficiency systems, energy conservation scenarios,

energy savings and other mitigation measures necessary to reduce emissions globally. This study highlights the energy problems and their possible saving that can be achieved through the use of biomass energy sources. Also, this piece of work clarifies the background of the study, highlights the potential energy saving that could be achieved. The use of biomass energy source describes the objectives, approach and scope of the theme. However, to be truly competitive in an open market situation, higher value products are required. Results suggest that biomass technology must be encouraged, promoted, invested, implemented, and demonstrated as a whole while especially in remote rural areas.

BiographyDr. Abdeen Mustafa Omer (BSc, MSc, PhD) is an Associate Researcher at Energy Research Institute (ERI). He obtained both his PhD degree in the Built Environment and Master of Philosophy degree in Renewable Energy Technologies from the University of Nottingham. He is qualified Mechanical Engineer with a proven track record within the water industry and renewable energy technologies. He has been graduated from University of El Menoufia, Egypt, BSc in Mechanical Engineering. His previous experience involved being a member of the research team at the National Council for Research/Energy Research Institute in Sudan and working director of research and development for National Water Equipment Manufacturing Co. Ltd., Sudan. He has been listed in the book WHO’S WHO in the World 2005, 2006, 2007 and 2010. He has published over 300 papers in peer-reviewed journals, 200 review articles, 15 books and 150 chapters in books.



Electrochemical studies of catalysts on carbon surface with quantum chemical evidencesGururaj Kudur JayaprakashShoolini University, India

Catalysts are useful in electrochemical sensing technologies to improve the performance (sensitivity and selectivity) of carbon based working electrodes. In the past few decades, electrochemists have analyzed the catalyst performance of amino

acids, surfactants, organometallic on the carbon electrode surface. Even though plenty of works are already available in this field, still finding economical and Eco-friendly catalysts for modifying carbon electrode surfaces is exciting and unfortunately, molecular-level understanding of these types of the electrode interface is still missing.

Catalytic activities of the modifiers at the electrode interface can be analyzed using simple electro-analytical methods like cyclic voltammetry. The modified (amino acids, surfactants, organometallic) carbon electrodes displayed excellent sensing electrochemical catalytic activities for sensing biomolecules like dopamine. Experimental results predict that there may be a catalyst mediated electron transfer process at the modified electrode interface. To support experimental results, we have used the theoretical calculations.

Quantum chemical modeling of electrode surfaces is useful in electro-analysis for understanding catalytic properties of the catalyst modified electrode interfaces. We have modeled amino acids, surfactants, organometallic modified carbon (graphene) surfaces to know their arrangement at the electrode interface. Theoretical concepts like frontier molecular orbitals and analytical Fukui functions can be useful to locate the electron transfer sites at the catalyst modified carbon electrode interfaces.

In this talk, I will discuss with the audience how to prepare and modify economical carbon electrodes and to analyze electro-catalytical properties of the modified electrode interface. I will also show the audience how they can support their experimental results from the quantum chemical calculations.

Audience Take Away:

• Audience will learn how to prepare homemade carbon paste electrodes.

• Researchers can learn how they can use simple electro-analytical methods like cyclic voltammetry to understand electron transfer properties of the materials.

• Researchers will also know how to inter link quantum chemistry and electrochemistry for understanding mediated electron transfer properties of the catalyst modified electrode interface.

BiographyDr. GururajKudurJayaprakash is working as an Assistant Professor at the School of Chemistry, Shoolini University. He is the head of the Quantum-Electrochemistry research group. He has been awarded a CONACyT Ph.D. scholarship from the Govt of Mexico to pursue his doctoral degree from the GDL Quantum Chemistry group, Department of Material Science, University of Guadalajara, CUCEI, Guadalajara, Mexico. He has also got a postdoctoral scholarship from the Tsinghua University for his postdoctoral studies at the Prof. ZhigangShuai research (MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering), Department of Chemistry, Tsinghua University, Beijing 100084, PR China.



Catalysis for carbon reclamation from municipal solid wasteHitesh Suresh PawarInstitute of Chemical Technology Matunga, India

Waste management is not only a serious challenge in India but also around the world despite attempts at moving away from disposal to waste prevention, resource recovery and recycling. Therefore there is a need to adopt advanced ‘Waste-

to-Energy’ (WtE) technologies that shall allow for processing of wastes in a manner that leads to the generation of substantial quantities of energy (or other value-added products) without generating any secondary waste. Municipal solid waste (MSW) is a complex and heterogeneous mix of organic and inorganic matter. An efficient solid waste treatment technology can provides an effective and economical way to convert organic biodegradable and organic non-biodegradable fraction from MSW into liquid and gaseous fuel products. The present talk summarize a brief overview of the novel catalysis strategy i.e. Catalytic Thermo Liquidation (CTL) for converting organic biodegradable municipal solid waste into carbon densified liquid (CTL-Oil). The CTL process is advantages from many perspective’s such as moderate operating condition, no formation of char and gases, high yield of oil etc. The CTL-Oil is a carbon rich feedstock and can be used for multiple energy and fuel application. Thus, the integration of novel catalyst provides a new horizon for resource recovery from municipal solid waste.

Audience Take Away:

• New horizon for integration of catalysis for waste treatment and resource recovery

• New strategies for recovery of carbon from municipal solid waste

• Importance of carbon recovery from waste

• Potential of municipal solid waste for energy and fuel production

• Strategies for converting Waste to energy

BiographyDr. Hitesh Pawar is working as Assistant Professor at DBT-ICT Centre for Energy Biosciences, Institute of Chemical Technology Matunga, Mumbai India. His research group working in the field of catalysis, process engineering, green chemistry and waste treatment. Presently, his research group is dealing with development of technologies for treatment of municipal solid waste, industrial effluent and CO2 reclamation. They have developed an in-house basket of several indigenous catalysts for multiple energy and fuel application. He has published more than 10 Patents and more than 15 international publications in the area of catalysis and process engineering. They are demonstrating a novel indigenous technology for converting municipal solid waste into energy. Integrations of novel process and catalysis innovations motivating them to develop the sustainable process for clean and pollution free environment.



Self-assisted photocatalytic water treatment promoted by graphitic carbon nitrideAndré Torres-Pinto (MSc), Maria J. Sampaio (PhD), Claudia G. Silva (PhD), Joaquim L. Faria (PhD), Adrian M.T.Silva(PhD)University of Porto, Portugal

The global water crisis is hindering healthy human endurance and societal development. Water treatment is crucial for a sustainable balance between society and the environment. The industry must treat its wastewaters adequately as they are

particularly rich in potentially hazardous compounds. The United Nations recognised the crisis and led to the establishment of the Sustainable Development Goals in 2015. A significant cause of water pollution is the inadequate release of organic contaminants to the environment. In particular, olive mill wastewaters (OMWW) are considered as hazard to environmental sustainability in the Mediterranean region.

Advanced oxidation processes (AOPs) represent an efficient, low cost and safe solution for the removal of recalcitrant compounds present in OMWW. Heterogeneous photocatalysis with graphitic carbon nitride (GCN) activated by visible light using LEDs has been proven to be efficient in the degradation of several organic pollutants. In this study, we investigated the use of GCN, prepared by a thermal treatment method, in the photocatalytic degradation of phenolic compounds often present in OMWW. We explored the simultaneous in situ evolution of hydrogen peroxide (H2O2) as a mean to enhance pollutant degradation.

The GCN photocatalysts were capable to remove different probe molecules, both individually and in simulated mixtures. The removal of the more recalcitrant compounds owns to the relatively high H2O2 production rates obtained in less than 120 min. The improvement of the mineralization process was sought with the addition of iron to mimic photo-Fenton-like conditions. An impact superior than 20% in mineralization was observed with relatively low dosages of iron ions (according to EU legislation) and under natural pH, which could enable a greater ease on the discharge of treated liquid effluents.

Audience take away:

• Comprehend contamination issues in water streams despite wastewater treatment;

• Understand the benefits of a light-activated GCN with the ability to self-promote the oxidation of organics through on-site generated H2O2 (i.e., achieving a faster and more efficient contaminants removal);

• Rely on a system that can aid liquid effluent treatment, due to naturally-abundant precursors, easypreparation and low-cost synthesis route in the fabrication of GCN;

• Enable the high mineralization of phenolic mixtures under ambient conditions at natural pH levels and with energy-efficient light sources

BiographyAndré Torres Pinto is a PhD student, with a fellowship provided by the Fundação para a Ciência e a Tecnologia (FCT) at the Associate Laboratory LSRE-LCM, which is working in a project entitled "Smart Conception of Photocatalytic Carbon Membranes for Water Treatment". He completed his Master degree in Chemical Engineering at FEUP in 2018, culminating in his Dissertation "Structured metal-free carbon materials for photocatalytic wastewater treatment”. André worked in 3 different research fellowships at LSRE-LCM related with studies on environmental impacts mitigation through sustainable advanced oxidation technologies. He has attended international training schools in "Photochemical, Photophysical and Photobiological Processes”, "Catalyst Characterization" and “Ageing, Climate Change and Citizenship”. André co-authored 1 book and is the first author of 3 articles in high-impact peer-reviewed journals. He was also involved in several scientific dissemination events organized by different entities.



Clay Supported Copper as Green catalyst for Organic reactionsBashir Ahmad DarGovt. Degree College Sopore J & K, India

Designing clean or ‘green’ chemical transformations is one of the key challenges before chemists. This problem has received extensive interest owing to our better understanding of the causes of environmental degradation. Industries and scientific

organizations have put clean technology as an important R & D concern. The area of chemistry, which is particularly directed to achieve such goals, is called green chemistry. In achieving many of these goals, catalysts help the synthetic chemist in a big way. An important family of catalysts that has received considerable attention of the synthetic chemist in recent times is derived from the soil, the most noteworthy ones being clays and zeolites. Clays are solid acidic catalysts which can function as both Bronsted and Lewis acids in their natural and ion-exchanged form. Using clay catalysts, environmentally benign green chemistry can be done both at industrial level and laboratory scale. Cu-Clay has developed into trendy heterogeneous catalyst in our group owing to its characteristic properties such as enhanced reactivity, selectivity and a straight forward work-up procedure.

Audience Take Away

In this presentation I am going to talk about clay supported catalysts (which are heterogeneous in nature) and their applications in organic synthesis. These catalysts pave way towards green chemistry which is demand of chemical industries nowadays. Knowledge of preparation and applications of such catalysts can help the audience in their jobs (whether finding or promotion). This field of research will help and off course is helping researchers as well as teachers to expand their fields. Lot of research in this field has been done and practically applied to industries and incorporated in academia but a lot more is still to be done.

BiographyDr Bashir is presently working as Assistant Professor at Govt. Degree College boys SoporeKashmir (Department of Higher Education Govt. of Jammu and Kashmir). Prior to this he was lecturer at University of Kashmir, North campusBaramulla Kashmir. He has also worked as Assistant Professor at Maulana Azad College Aurangabad Maharastra India, Senior Project Fellow IIIM Jammu, Senior Research Fellow IIIM Jammu, Junior Research Fellow IIIM Jammu, Junior Research Fellow (IICT Hyderabad), Lecturer (Maulana Azad College, Aurangabad Maharastra India) and Visiting Lecturer (Post Graduate Department of Chemistry, VasantroaNayak College, of Science Aurangabad Maharastra India. He has 13 years of experience in teaching and research. Dr Bashir has published more than 60 research papers in highly reputed journal. He has also published some books on heterogeneous catalysis. He is editor and peer reviewer of many chemistry journals. He has many talks as an invited speaker in national and international conferences and hasparticipated in the scientific committee of several conferences and associations.



Novel Inhibitor for Covid-19 from Zinc Nano-Based AZA-PC and CQDSFadi IbrahimSaad Bin-AlrabeeAlansari School, Kuwait

In this article, the antiviral activity of seven different carbon quantum dots (CQDs) with Azaphthalocyanin (Az-Pcs) for the treatment of human coronavirus infections was investigated. Az-Pcs used to adsorb UV light and concentrate it to CQDs to

avoid destruction of tissue and cells by high energy. The first generation Az- Pcs-CQDs antiviral with nanostructures showed a concentration-dependent virus inactivation with an expected estimated EC50 of 50±8 μ gmL-1. The underlying mechanism of action of these Az-Pcs-CQDs could be due to interaction of the functional groups of the CQDs with COVID-19 entry receptors; surprisingly, an equally large inhibition activity was observed at the viral replication step. Az-Pcs with boronic acid derivatives have been proposed as low toxicity agents for inhibiting the entry various viruses. The underlying mechanism of action of these CQDs was revealed to be the CQDs interaction with the COVID-19 S-protein. The antiviral activity of Az-Pcs-CQDs with different Zn nano-size need to be evaluated on Huh-7 cell monolayers infected with COVID-19.



Self-assembled oligoethylene glycols for air-stable molecular electronics and in operando modulationXinkaiQiu,a,b and Dr. Ryan C. Chiechia,aNijenborgh 4, Stratingh Institute for Chemistry, University of Groningen, The Netherlands.bNijenborgh 4, Zernike Institute for Advanced Materials, University of Groningen, The Netherlands

Self-assembled monolayers (SAMs) are widely used to engineer the surface properties of metals. The relatively simple and versatile chemistry of metal-thiolate bonds makes thiolate SAMs the preferred option in a range of applications, yet fragility

and a tendency to oxidize in air limit their long-term use. In our recently published paper in Nature Materials, we report the formation of thiol-free self-assembled mono- and bilayers of glycol ethers, which bind to the surface of coinage metals through the spontaneous chemisorption of glycol ether-functionalized fullerenes. As-prepared assemblies are bilayers presenting fullerene cages at both the substrate and ambient interface. Subsequent exposure to functionalized glycol ethers displaces the topmost layer of glycol ether-functionalized fullerenes, and the resulting assemblies expose functional groups to the ambient interface. These layers exhibit the key properties of thiolate SAMs, yet they are stable to ambient conditions for several weeks, as shown by the performance of tunneling junctions formed from SAMs of alkyl-functionalized glycol ethers. Glycol ether-functionalized spiropyrans incorporated into mixed monolayers lead to reversible, light-driven conductance switching. Self-assemblies of glycol ethers are drop-in replacements for thiolate SAMs that retain all of their useful properties while avoiding the drawbacks of metal-thiolate bonds.[1]

In a follow-up work, we demonstrate the reconfiguration of molecular tunneling junctions while in operation via the self-assembly of bilayers of glycol ethers. We use well-established functional groups to modulate the magnitude and direction of rectification in assembled tunneling junctions by exposing them to solutions containing different glycol ethers. Variable temperature measurements reveal that rectification occurs by a bias-dependent tunneling-hopping mechanism and that glycol ethers, besides being unusually efficient tunneling medium, behave identically to alkanes. We fabricated memory bits from crossbar junctions prepared by injecting eutectic Ga-In in microfluidic channels. Two 8-bit registers were able to perform logical AND operations on bit strings encoded into chemical packets as microfluidic droplets that alter the composition of the crossbar junctions through self-assembly to effect memristor-like properties. This proof-of-concept work demonstrates the potential for fieldable molecular-electronic devices based on tunneling junctions of self-assembled monolayers and bilayers.[2]

References:

[1] Qiu, X., Ivasyshyn, V., Qiu, L., Enache, M., Dong, J., Rousseva, S., Portale, G., Stöhr, M., Hummelen, J.C. and Chiechi, R.C. “Thiol-free self-assembled oligoethylene glycols enable robust air-stable molecular electronics.” Nat. Mater.19, 330-337 (2020).

[2] Qiu, X., Rousseva, S., Ye, G., Hummelen, J.C. and Chiechi, R.C. “Stochastic computing via in operando modulation of rectification in molecular tunneling junctions.” ChemRxiv, 2020.

Audience Take Away

1. Molecular electronics studies charge transport through molecules and the applications in electronic devices comprising these molecules as building blocks. 2. Changes at the Angstrom scale translate into exponential changes in the electrical output of a molecular junctions, which can arise from chemical phenomena and bond topology.3. The stability of molecular self-assemblies is crucial to their practical applications.4. Molecular self-assemblies that utilize non-covalent interactions provide an alternative strategy to achieve tunable molecular junctions and mitigate synthetic challenges. 5. Molecular self-assemblies can potentially mimic the functional of human brains and achieve neuromorphic computing.

BiographyXinkai earned his B. Sc. in Polymer Chemistry in 2009 from the University of Science and Technology of China (Hefei, China). He then moved to the University of Groningen (Groningen, the Netherlands) where he earned his M. Sc. in the prestigious TopmasterNanoscience program in the Zernike Institute for Advanced Materials. He then continued as a PhD candidate in Stratingh Institute for Chemistry at the University of Groningen studying mechanical and charge transport properties of molecular self-assemblies and their applications in electronics. He also investigates the morphological transition in nonconventional organic (semi)conductive materials.



Prediction of the mechanism of the catalysis of environmental sulfur compounds by dsr operon- A Bioinformatics ApproachAngshuman BagchiUniversity of Kalyani, India

Metabolic reactions of inorganic sulfur compounds, mediated by prokaryotes of the domain archea and bacteria, are abundant in soil and water, and are the major reactions in volcanic and other extreme environments. Sulfur has a wide

range of oxidation states that vary from –2 to +6. The electrons derived from the reactions are used by the microbes for energy transformation of the respiratory chain and for carbon dioxide reduction. The catalytic reactions of the metabolism of sulfur compounds are dependent on the complex interplay between different enzymes encoded by dsroperon. Though a considerable progress in genetics of sulfur lithotrophy is noted, the detailed mechanisms of these catalytic reactions are still poorly understood. In the present perspective, the main aim of my study is to propose the structural basis of the molecular mechanism of sulfur metabolism with the help of modern day structural bioinformatics techniques, which can be used to mimic the cellular environment in silico. A detailed analysis of the binding interactions between the different enzymes among themselves as well as with sulfur substrates will pave the pathway for the elucidation of the hitherto unknown molecular mechanism of the process.

Audience Take Away

The work is mainly aimed at identification of the molecular mechanism of sulfur metabolism. The work is computational and the predictions made by the work would point towards the different binding modes of the enzymes involved in the process biological sulfur metabolic reactions. Bioinformatics and computational biology have widened the knowledge of modern day biology. The techniques used in computational biology provide a good approximation of what is happening in a live cell. Bioinformatics would help to streamline a biological problem and would therefore be considered to be a first hand guide towards solving complex biological problems. Now-a-days computational biology and bioinformatics are becoming an alternative approach along-with traditional wet-lab techniques. Bioinformatics have an essential role in drug-designing industries.

BiographyDr. Angshuman Bagchi received his PhD degree from Bose Institute, Kankurgachi, Kolkata in Bioinformatics in 2007. Dr. Bagchi went to pursue his postdoctoral research work in the laboratory of Prof. Sean D. Mooney in Indiana University Purdue University Indianapolis, Indiana, USA. He did another postdoc at the Buck Institute for Age Research, Novato, CA, USA. His work in the field of structural bioinformatics and machine learning received considerable acclaim. Dr. Bagchi was invited by the Prof. Michael Lappe, Max Planck Institute for MolecularGenetics, Berlin, Germany to deliver lectures onStructural Biology of sulphur oxidation. He was also invited by Prof.Lindsay G. Cowell, Duke University, North Carolina, USA to deliver lecture on Machine Learning. Dr. Bagchi also delivered lectures on Structural Bioinformatics at the Pittsburgh Super Computer Center, USA. Dr. Bagchi was appointed as the Visiting Research Scientist in the lab of Prof. Hailong Zhu, Department of Computer Science, Hong Kong Baptist University, Hong Kong and in the lab of Prof. Anny Slama-Schwok, Virologie et ImmunologieMoléculaires, Paris Saclay University, UR892, INRA Domaine de Vilvert, 78352 Jouy-en-Josas, France. Dr. Bagchi has so far published more than 80 research and review papers in international journals and conferences. He has attended many international conferences throughout the world. Dr. Bagchi is the recipient of Travel Fellowship Award by the National Science Foundation, USA. Currently, Dr. Bagchi is the Associate Professor of Biochemistry in the Department of Biochemistry and Biophysics, and Coordinator of Bioinformatics Center, University of Kalyani.



Active sites in heterogeneous catalysts: Their nature and determinationNarasimhaiah NAGARAJUSt. Joseph’s College Post graduate and Research Centre, India

Heterogeneous catalysts, such as metals, metal oxides, mixed metal oxides and their modified forms, for example play a vital role in enhancing the rate of a number of industrially important organic reactions. In the presence of these catalysts

reactions take place on the surface of the material used as the catalysts. Further only certain regions of the catalyst surface are active in enhancing the rate of organic transformation. These active centers are presumed to be either acid-base or redox centres. There are a number of examples where the catalysts with different kinds of active centres, are found exhibit activity in a chosen organic transformation. Then what is the driving force for their catalytic activity?. Is it acid-base or Redox properties of the material Or something different?. Understanding and Determination of the nature of the active centres on the surface of solid catalysts is thus, very challenging as well as interesting. In this presentation it is proposed to discuss the nature of active centres on a few well known heterogeneous catalysts and discuss their nature in a critical point of view, with respect a few industrially important organic reactions.

Audience Take Away

• Audience will be prompted to view the active centres on the heterogeneous catalysts in a different prospective than what is actually taught and learnt at graduate and post graduate levels.

• How will this help the audience in their job? A person with good knowledge and practical experience in the area of heterogeneous catalysis always find a good job, as this field is closely associated with a number of chemical industries, all over the world.

• Is this research that other faculty could use to expand their research or teaching? Certainly, there is no doubt in it.• Does this provide a practical solution to a problem that could simplify or make a designer’s job more efficient? • Yes , the presentation prompts the researcher to view his work in a broader sense and hence can simplify his problem

and design a catalyst to suit his reaction.• Will it improve the accuracy of a design, or provide new information to assist in a design problem? List all other

benefits. . Yes.

Biography• The author obtained his Ph.D degree in the area of heterogeneous catalysis in the year 1989, from Bangalore University, India.• He joined the department of Chemistry, St Joseph’s college Bangalore, as a lecturer and retired as a professor in the year 2018, after serving the institute for 33 years.• During his tenure at St. Josephs College, he initiated a small catalysis research lab, which in due course obtained recognition as a research Centre, by other universities of the neighboring states.• He has guided 10 Ph.D students and published over 90 research articles in peer reviewed national and international journals. • He also has filed two patents.• He has presented his research work in a number of National and International conferences in India and abroad.• He was felicitated by St. Josephs College management, for his outstanding contribution in research.• He is governing committee member of catalysis society of India ( Bangalore Chapter)

29 August, 2020


Poster Presentation




Catalysts and Co-catalysts effect Onthe Thermal Decomposition of Potassium Peroxydisulphate in Aqueous Solution at 70CO

Mustafa. Jaip Allah AbdelmageedAbualreishNorthern Boarders University, Saudi Arabia

The thermal decomposition of potassium peroxydisulphate was the subject of study of many workers but study the effect of catalysis on the decomposition has a little attention. The presentation will show how catalysis and co catalysis has a great

influence in the decomposition, especially at temperature 70OC.

Audience Take Away

• The audience will be able to differentiate between the various patterns of the peroxydisulphate decomposition?• Researchers can expand their research in studying the effect of different elements other than silver and copper? • Provide a practical solution to a problem of autocatalysis? • Improve the accuracy of to design A co-system catalyst,

BiographyDate of birth: 2\7\1970Place of birth: New halfa - SudanMarital status: Married with four childrenLanguages: Arabic, EnglishAcademic Progression:1. B.Sc.(Chemistry, very good), Department of chemistry, Faculty Of Science, University of Khartoum , Sudan (1993).2. M.Sc (Chemistry), Department of chemistry, Faculty of Science, University of Khartoum, Sudan (1996).3. PhD (Analytical Chemistry), Department of chemistry, Faculty of Science, University of Khartoum, Sudan (2001). Title of theB.ScThesis:The physical properties of polymersTitle of theM.ScThesis: Spectrophotometric determination of the stability constants of hydroxamic acid reagent with V(IV), Fe(III), CO(II) and Cu(II ) Title of the PhD Thesis:Stoichiometric study in the oxidation-reduction reactions between some carbohydrates and potassiumPeroxydisulphate.



Innovated application of RCM in stereoselective heterocycle synthesisChen MuziRaffles Institution, Singapore

In modern synthetic organic chemistry, many biologically active natural and non-natural compounds contain heterocyclic structure, and their synthesis has been a great interest for researchers. Ring-Closing Metathesis (RCM) is a potent ring-

forming synthetic tool. Amongst various carbon-carbon bond-forming reactions, RCM has a wide range of advantages, including high stereoselectivity, high reactivity and commendable stability. Suitable catalysts are critical to the success and yield of RCM reactions. So far, common catalysts used for RCM reactions include molybdenum-based catalysts (Shrock’s catalysts) as well as ruthenium-based catalysts (Grubbs catalysts), where the latter one is more prevalently used in recent RCM applications. Currently, the second generation of Grubbs catalyst (Grubbs II catalyst) has shown high tolerance towards moisture and air compared to Grubbs I catalyst, granting RCM additional advantages in synthesis. This presentation firstly discusses the application of RCM reactions in nitrogen-containing heterocycles, identifying that the reaction is generally viable using Grubbs catalysts in toluene (sterically hindered dienes require the more active Grubbs II catalyst); but extra protecting steps must be taken to prevent the basic lone pair on the nitrogen atom in the amine group that may deactivate the metal catalyst. Then the synthesis of oxygen-containing heterocycles is examined, primarily focusing on macrolactone synthesis. Ruthenium-based catalysts performed outstandingly in macrolactone synthesis as well: not only due to its high activity, but also due to its high E-Z selectivity. The synthesis of simple sulphur and phosphorus-containing heterocycles is also shown possible using Grubbs catalysts. Therefore, RCM reactions could become a highly useful tool in a wide range of heterocycle synthesis and its catalysis would worth further study and development in the future.

Audience Take Away

• An overview of recent development in Ring-closing metathesis.• Development and refinements in the catalysts used forsome of RCM reactions in heterocycle synthesis.• Innovated stereoselective heterocycle synthesis using RCM.• A brief overview on the viability of RCM reactions in S- and P-heterocycle synthesis.

BiographyChen Muzi is currently a junior college Year 2 student in Raffles Junior College, Singapore. Studying in Raffles Academy of Chemistry, he is highly interested and passionate in organic chemistry studies and has won the Silver Medal in the Singapore Chemistry Olympiad in 2019.



Synthesis and Characterization of Acidic Hierarchical Mesoporous Acidic ZSM-5 ZeolitesSeham A. Shaban, Ahmed O. Abo El Naga, Mohamed S. Abdel Salam, Fathy Y. El KadyRefining Division, Egyptian Petroleum Research Institute, Nasr City, Cairo 11727, Egypt

In this paper, hierarchical micro-mesoporous ZSM-5 Zeolites was hydrothermally prepared through the soft-templating approach using amphiphilicorganosilane surfactants as a soft-template. The synthesized samples were characterized using

different physicochemical techniques including X-ray powder diffraction (XRD) and N2 physisorption measurements at 77 K. The characterization techniques revealed the successful preparation of pure mesoporous ZSM-5 zeolites. The synthesized hierarchical micro-mesoporous ZSM-5 Zeolites are expected to have superior catalytic performance especially in catalytic reactions involving bulky substrate.

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