1st International Electronic Conference on Catalysis Sciences
10–30 Nov 2020
Sustainable Energy, Environmental Protection, Chemical Manufacture, Catalysts
- Go to the Sessions
- Event Details
Warmest congratulations on the success of the 1st International Electronic Conference on Catalysis Sciences in 2020 (ECCS 2020). Many thanks for your participation.
All participants of ECCS2020 are welcome to submit the extended work to the Catalysts Special Issue "Selected Papers From the 1st International Electronic Conference on Catalysis Sciences".
Award Winners Announcement
Best Paper Award and Best Poster Award—Winners Announcement
We are pleased to announce the winners of Conference Awards here.
Best Paper Award:
Discovery and Biochemical Characterization of a Novel Polyesterase for the Degradation of Synthetic Plastics
Efstratios Nikolaivits, Phaedra Dimopoulou, Veselin Maslak, Jasmina Nikodinovic-Runic, Evangelos Topakas
Available Online: https://sciforum.net/paper/view/7572
Single-Molecule Fluorescence Spectroscopy Studies of the Microenvironment of Graded Amine-Functionalized Silica Surfaces
Abdulhafiz Usman, Daniel Higgins, Keith Hohn
Available Online: https://sciforum.net/paper/view/7607
Congratulation to the winners on their accomplishments. The winner (corresponding author) of each award will receive a prize of 500 CHF.
We would like to take this opportunity to thank all the participants for their contributions to 1st International Electronic Conference on Catalysis Sciences.
Your ECCS2020 Conference Committee
Welcome from the Chair
It is my pleasure to invite you to join the 1st International Electronic Conference on Catalysis Sciences in 2020 (ECCS 2020) that is hosted online by: https://sciforum.net/conference/ECCS2020.
An often-quoted statistic is that catalysts are used in 90% of all chemical products, a reflection of the importance of catalysis in powering a modern society. This includes the role that catalysis plays in the production of fuels, chemical manufacture, fertilizer production, environmental protection and cleanup, pharmaceutical manufacture, sustainable energy, biomass conversion, polymer chemistry, and electrochemistry. ECCS 2020 will present the latest research on the use of catalysts in these critical areas. Topics of interest include but are not limited to:
- Single Atom Catalysts (Session A)
- Electrocatalysis (Session B)
- Photocatalysis (Session C)
- Catalysts for Natural Gas Conversion (Session D)
- Catalysts for Biomass Conversion(Session E)
- Computational Catalysis (Session F)
- Catalyst Synthesis and Characterization (Session G)
- Biocatalysis (Session H)
- e-WSeS 2020 (Session I)
Despite being considered by many to be a mature field, catalysis research continues to be a vibrant topic of research throughout the world, with publications continually increasing over time. The continued interest in catalysis cries out for a new way for cutting edge research in the field to be shared. ECCS 2020 seeks to fulfill this need by offering a completely digital (online) method for running a scientific conference. ECCS 2020 will allow its participants to share their latest research results and receive near-instantaneous feedback from catalysis researchers throughout the world through online question and answer sessions and discussion groups. In this way, ECCS 2020 will serve as a platform for advancing the state-of-the-art in catalysis. There is no cost to participate in ECCS 2020.
All submitted abstracts will be evaluated by the conference committee. Upon acceptance of their abstract, authors will contribute an extended abstract for the conference proceedings and a slide presentation of their work. The authors of the most outstanding contributions will be invited to submit a full manuscript for potential publication in Catalysts (https://www.mdpi.com/journal/catalysts).
I hope you will choose to be a part of this exciting conference and present your most transformative research on catalysis.
Ms. Caroline Zhan
MDPI Branch Office, Beijing
E-mail: [email protected]
Ms. Veakie Jia
MDPI Branch Office, Beijing
E-mail: [email protected]
Prof. Dr. Keith L. Hohn
Chemical, Paper, and Biomedical Engineering Department, Miami University, USA
Dr. Keith L. Hohn is the Editor-in-Chief of Catalysts, an open access journal published by MDPI, and Chair and Professor of the Department of Chemical, Paper, and Biomedical Engineering at Miami University. He received his PhD in chemical engineering at the University of Minnesota in 1999. He then joined the Department of Chemical Engineering at Kansas State University, where we worked for 20 years before moving to Miami University in 2019. Dr. Hohn’s research interests are in heterogeneous catalysis, with emphasis on energy applications. In particular, he has researched the conversion of hydrocarbons and alcohols to hydrogen and catalytic processes for converting biomass to fuels and chemicals.
Prof. Dr. Jingyue Liu
Department of Physics, Arizona State University, USA
Jingyue Liu received his bachelor’s in Metal Physics from the University of Science and Technology Beijing, China, and his doctorate in Condensed Matter Physics from Arizona State University under the guidance of Professor John M. Cowley. He served as a postdoctoral research associate and research scientist at the LeRoy-Eyring Center for Solid State Science of ASU before joining Monsanto Corporate Research as a research specialist and group leader in 1994. After a series of promotions, he was appointed as a Science Fellow of Monsanto in 2000 and a Senior Science Fellow in 2003 for sustained outstanding technical leadership and significant impacts on Monsanto’s businesses. He received the prestigious 2001 Edgar M. Queeny Award for Science and Technology, the highest award within Monsanto for scientific achievement and business impact. In 2006, he joined the University of Missouri—St. Louis as Director of the Center for Molecular Electronics and Professor of Physics and Chemistry and became the founding director of the Center for Nanoscience in 2007. He joined ASU as Professor of Physics in 2011 and became a fellow of the Microscopy Society of America in 2012.
Dr. Vincenzo Baglio
CNR-ITAE Institute for Advanced Energy Technologies "N. Giordano", Italy
VINCENZO BAGLIO is a senior researcher at CNR – Institute for Advanced Energy Technologies “Nicola Giordano” (ITAE) of Messina, Italy. He obtained a B.Sc. degree in chemistry (1998) from University of Messina (Italy) and a PhD in “Materials for Environment and Energy” (2005) from University of Rome “Tor Vergata” (Italy). His current research is focused on energy conversion and storage, in particular in the field of fuel cells, batteries and electrolysers. He published more than 170 articles (more than 6000 citations and H-index 46 from SCOPUS) in international journals, 8 book chapters, 1 book and 1 international patent. He is Editor-in-chief of section “Electro-catalysis” in “Catalysts” MDPI journal, and member of the Editorial Board of the journals “Materials”, “Energies” and “Polymers” (MDPI).
Prof. Dr. Vincenzo Vaiano
Department of Industrial Engineering, University Salerno, Italy
Dr. Vincenzo Vaiano is an Associate Professor of Industrial Chemistry in the Department of Industrial Engineering of the University of Salerno. In March 2006 he received the title of Doctor of Philosophy (PhD) in Chemical Engineering (Thesis: "Heterogeneous Photocatalytic Selective Oxidation of Cyclohexane"). In 2005, he conducted research activities at the University of Bradford (UK), under the supervision of Prof. Roger I. Bickley (pioneer in the field of heterogeneous photocatalysis and author of several scientific papers dealing on heterogeneous photocatalysts). Prof. Vaiano is a reviewer for several international scientific journals, such as: Catalysis Today, Chemical Engineering Journal, Applied Catalysis A, Applied Catalysis B, Chemosphere, Chemical Engineering Science, Solid State and Material Science, Industrial and Engineering Chemistry Research, International Journal of Hydrogen Energy and Water Research. He is a member of the Editorial Board of the Journal of Advanced Chemical Engineering (ISSN: 2090-4568), Journal of Advanced Engineering (ISSN 2576-8506) and Catalysts (ISSN 2073-4344). He has published more than 150 papers in international journals (h-index 32 from SCOPUS). His main research focuses are photocatalysis for sustainable chemistry, photocatalytic and photo-Fenton processes for pollutant removal in wastewater, catalytic combustion of sewage sludge, decomposition and oxidative decomposition of H2S, and hydrolysis of COS in the liquid phase.
Prof. Dr. Christophe LEN
Chimie ParisTech - CNRS, Institute of Chem. For Life & Health Sciences, France
Christophe Len was promoted to full Professor in 2004 at the University of Poitiers (France) and then the University of Technology of Compiègne - UTC (France) in 2010. For 2017, CL develops his research in Chimie ParisTech on the reactivity of biomass-derived molecules using alternative methods and specially continuous flow technology. His scientific work has been published in ca. 185 original international publications and review articles, 8 chapters and 9 patents and among the recent awards and recognition to his scientific career, CL was promoted: Fellow of Royal Society of Chemistry (FRSC, 2015); Fellow of Association of Carbohydrate Chemists and Technologists (ACCTI, 2015); Honorary Life Fellow of Indian Society of Chemists and Biologists (ISCB, 2014); Honorary Professor of the University of Hull, England (2012-2018); Full Professor Exceptional Class (2017); ACI/NBB Glycerine Innovation Research Award (2017).
Prof. Dr. C. Heath Turner
Department of Chemical and Biological Engineering, The University of Alabama, USA
Heath Turner is a Professor and the Head of the Chemical and Biological Engineering Department at The University of Alabama. He completed his B.S. in Chemical Engineering from Auburn University and his Ph.D. in Chemical Engineering from NC State University with Prof. Keith Gubbins. Prior to his academic appointment, he spent several years working in industry with Monsanto, Birmingham Steel, and Trinity Consultants. Over the past few years, he has been a visiting Faculty Fellow at NASA-Langley, the Naval Research Lab, and the Air Force Research Lab, Visiting Professor at Vanderbilt University, and an International Distinguished Professor at Shanghai University of Engineering Science. His theoretical research focuses on computational catalysis, adsorption, thin film deposition, and kinetic Monte Carlo simulations.
Prof. Dr. Rafael Luque
Department of Organic Chemistry, Universidad de Cordoba, Spain
Rafael Luque (Dpt. Quimica Organica, Universidad de Cordoba) has a significant experience on biomass and waste valorisation practises to materials, fuels and chemicals as well as nanoscale chemistry and green engineering. Prof. Luque has published over 400 research articles (>24,000 citations, h-index 73), filed 5 patent applications and edited 10 books as well as numerous contributions to book chapters and invited, guest, keynote and plenary lectures in scientific events worldwide. Prof. Luque is Editor in chief of Molecular Catalysis (Elsevier) and also member of the Editorial Advisory Board of prestigious International Journals (>15). Prod. Luque was named 2018 and 2019 Highly Cited Researcher by Clarivate Analytics, being currently Director of the Center for Molecular Design and Synthesis of Innovative Compounds for Medicine from RUDN University in Moscow, Russia and Chair Professor from the Chemistry Department at Xi´an Jiaotong University.
Dr. Evangelos Topakas
Biotechnology Laboratory, School of Chemical Engineering, National Technical University of Athens, Greece
Evangelos Topakas is an Associate Professor leading the Industrial Biotechnology and Biocatalysis group in the School of Chemical Engineering of the National Technical University of Athens, Greece. He is the Editor-in-Chief of Biocatalysis section of the Catalyst journal (MDPI), as well as Associate Editor in Frontiers in Bioengineering and Biotechnology, section of Industrial Biotechnology and Frontiers in Microbiology, section of Systems Microbiology. Dr Topakas has also been appointed as a visiting Associate Professor in the Chemical Engineering Division of the Department of Civil, Environmental and Natural Resources Engineering, Lulea University of Technology, Sweden, expanding his collaboration and experience in North Europe. His research experience includes the discovery and design of industrial enzymes and bioprocesses for the utilization of residual biomass for the production of 2nd generation liquid biofuels and high-added value compounds in the field of Biorefineries. His research activity is documented in 115 refereed publications in International Scientific Journals and Book chapters and presented in more than 160 International and National Conferences.
Prof. Dr. Claudio Santi
Department Pharmaceutical Sciences, University of Perugia, Italy
Claudio Santi received his PhD in Chemical Sciences from University of Perugia under the supervision of Prof Marcello Tiecco. Currently, he is Professor of Organic Chemistry and teaches the courses of Spectroscopy for Organic Chemistry and Organic Chemistry of Natural Compounds. He leads the group of Catalysis and Organic Green Chemistry in the department of Pharmaceutical Sciences and is a worldwide recognized expert on organoselenium chemistry. His research interests range from the application of selenium reagents in green chemistry to the development of new organoselenium-containing drugs. He is author of more than 140 publications, including review articles and book chapters.
Dr. K Indira Priyadarsini
UM-DAE Centre for Excellence in Basic Sciences, University of Mumbai, India
Dr. K. Indira Priyadarsini joined the Chemistry Division, Bhabha Atomic Research Centre (BARC), in 1983, where she worked until July 2019. She has also served as Senior Professor of Homi Bhabha National Institute. She received her PhD from Mumbai University in 1990 and conducted her Postdoctoral Fellowship as European Communities Marie Curie Fellow at Gray Laboratory Cancer Research Centre, UK. She has worked in the multidisciplinary research areas of chemistry and biology on the development of antioxidants and radioprotectors from natural products and organoselenium compounds. She has developed technologies for nutraceuticals and transferred them to Indian industries. She has published 240 research papers in peer reviewed journals, review articles, and book chapters. She is currently serving as Visiting Professor and also as DAE Raja Ramanna Fellow at Centre for Excellence in Basic Sciences at University of Mumbai.
Prof. Dr. Mostafa Khouili
Department of Chemistry and Environment, University Sultan Moulay Slimane, Morocco
Mostafa Khouili obtained his PhD in Organic Chemistry from the University of Orleans (France) under the supervision of Professors G. Coudert and G. Guillaumet. A teaching position at the University Institute of Technology (IUT) in Orleans (1991–1993) was followed by postdoctoral research (1994–1995) on anti-inflammatory drugs at the Institute of Organic and Analytical Chemistry (ICOA) at the University from Orleans (France). In September 1996, he joined the Sultan Moulay Slimane University of Beni Mellal (Morocco) as Assistant Professor. He is currently Professor of Organic and Analytical Chemistry, Head of the “Applied Organic and Organometallic Chemistry” research team, Expert Evaluator affiliated with CNRST Morocco, and former Director of the UFR of Chemistry and Physico-Chemistry of Natural and Synthetic Substances of Biological Interest (CPCSNSIB). He has also previously served as Visiting Professor at the University of Orleans (1999–2009), and at the Clermont Auvergne University in Clermont-Ferrand (2010–2011). His research activity is focused on heterocyclic chemistry and the valuation of Moroccan and African aromatic and medicinal plants (MAP) (extraction, purification, physicochemical study, and hemisynthesis). Other fields of scientific interest include the electrochemical study of organic substances (corrosion and biocorrosion), chemical and physicochemical characterizations, and the development of materials based on layered double hydroxides (LDHs) as nanomaterials to be used for heterogeneous catalysis in organic synthesis.
Dr. Eduardo E. Alberto
Department of Chemistry, Federal University of Minas Gerais., Brazil
Eduardo E. Alberto received his PhD in Organic Chemistry from the Federal University of Santa Maria (Brazil) under the supervision of Prof Antonio L. Braga. Following a period as a Postdoc at the State University of New York at Buffalo (USA) in the group of Prof Michael R. Detty, he move back to Brazil to start his independent career as Professor of Organic Chemistry at Federal University of Minas Gerais. His scientific interests include the development of novel organocatalysts for oxidation reactions with hydrogen peroxide, such as in the oxidation of thiols (glutathione peroxidase-like activity), and halogenation of organic substrates by oxidation of halide salts (haloperoxidase-like Activity). Furthermore, considering an environmental point of view, his group is dedicated to the design and preparation of state-of-the-art organochalcogen catalysts incorporated into solid supports (silica monoliths) or as task-specific ionic liquids for synthetic transformations in aqueous solutions.
Prof. Angeliki Lemonidou
Department of Chemical Engineering, Aristotle University of Thessaloniki, Greece
Angeliki Lemonidou has been a Professor of Chemical Engineering at Aristotle University of Thessaloniki since 2011. Her research interests are in the area of catalysis and reaction engineering aiming at the development of new materials and processes with minimum carbon footprint on natural gas valorization, biomass conversion, and carbon capture and utilization. Process intensification principles related to chemical looping, heat integration and in situ formation are applied in the processes under development. Expertise lies on the synthesis of nanomaterials (catalysts), mechanistic studies, kinetic modeling, and reactor design. Prof. Lemonidou earned her BSc and PhD both with honors from Aristotle University. She has been the Director of the Petrochemical Technology Lab and Vice Chair of the Department of Chemical Engineering since 2014. She also served the European Federation of Catalysis Societies (EFCATS) as Vice President in 2017–2019.
Prof. Anna Maria Raspolli Galletti
Department of Chemistry and Industrial Chemistry, University of Pisa, Italy
Anna Maria Raspolli Galletti is currently a Full Professor of Industrial Chemistry at the University of Pisa (UNIPI) and works in the Department of Chemistry and Industrial Chemistry. She was awarded a PhD in Chemistry Sciences (1986) and entered at the University of Pisa as a researcher in the Faculty of Sciences. In 2000 she became an Associate Professor and in 2015 a Full Professor. Her research is devoted to applied catalysis, catalyst synthesis and process optimization, in particular studying oligomerization, polymerization, chemoselective reactions of hydrogenation and oxidation for the synthesis of valuable intermediates. She has conducted various studies on the catalytic conversion of renewables to intermediates and biofuels, adopting green reaction conditions (water medium, MW irradiation, high gravity approach). Her dedication to the field of chemistry can be seen in her 160 scientific papers and 25 patents. In addition, she has made more than 250 contributions to national and international congresses and international schools. H index: 33; total citations: more than 3800 (Scopus).
Prof. Claudia Antonetti
Department of Chemistry and Industrial Chemistry, University of Pisa, Italy
Claudia Antonetti is an Associate Professor of Industrial Chemistry at University of Pisa. She received her master’s degree cum laude at University of Pisa in 2006 and received her PhD cum laude at Scuola Normale Superiore (Pisa) in 2010. In 2008–2009, she spent six months at the Chemistry Department of University of Cambridge (UK). In 2015, she completed a Postgraduate Certificate in Bioenergy and Environment at University of Florence and C.R.E.A.R. (Research Center for Alternative and Renewable Energy). Her main research interests concern the applied catalysis and the production of important platform chemicals from renewable resources. In particular, C.A. has dealt with the synthesis, characterization and applications of nanostructured catalysts based on Ru, Pd, Au, Cu and Ag, developing an in-depth knowledge and expertise regarding their preparation under sustainable reaction conditions. She has tested the obtained systems in many reactions, with special attention to the hydrogenation ones. At the same time, C.A. has studied the integrated conversion of several types of biomasses, including waste ones, for the recovery of sugars and chemicals of relevant industrial interest, such as 5-hydroxymethylfurfural, furfural and levulinic acid. She is interested in how such sugars and chemicals can be further exploited as biofuels, energy sources, chemical products and advanced plastic materials through sustainable processes with low environmental impact, autocatalytic and/or catalytic processes and processes employing traditional and/or microwave heating. C.A. is co-author of more than 50 scientific publications in international journals, 1 patent and more than 90 communications to national and international congresses. Finally, C.A. has collaborated and/or taken part in many European, national and regional projects, and she has an H-index of 21.
List of accepted submissions (70)
|Id||Title||Authors||Presentation Video||Presentation Pdf|
Synthesis of Symmetrical Diorganoyl Tellurides Using Te0 and Silver Catalysis
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Submitted: 31 Jul 2020
Abstract: Show Abstract
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The synthesis of organic compounds containing tellurium atom is shortly explored in the literature compared to their analogues selenium and sulfur. However, it is of great interest to obtain these compounds, among them a class of great importance are the symmetrical tellurides, which can be used as synthetic intermediates in a series of organic reactions, regarding their potential to the formation of new carbon-carbon bonds. Recent advances related to the preparation of diaryl tellurides have been described using boronic acids with different catalysts, such as copper, indium, iron, among others. The Ag-catalyzed reaction can be considered an efficient and attractive alternative, since AgNO3 is not expensive and is easily handled. In this context, we have developed a efficient methodology for obtaining a series of symmetrical tellurides.
This work reports the synthesis of symmetrical tellurides starting from different arylboronic acids and tellurium powder through a simple methodology using silver catalysis. The developed method tolerates a series of arylboronic acids containing electron withdrawing or electron donating groups, obtaining a wide reaction scope using only 10 mol% of AgNO3 as a catalyst, DMSO as solvent and three equivalents of Te0 for five hours. Using this methodology we are able to obtain a plethora of symmetrical tellurides in moderate to good yields.
Single-Molecule Fluorescence Spectroscopy Studies of the Microenvironment of Graded Amine-Functionalized Silica Surfaces
Submitted: 06 Jul 2020
Abstract: Show Abstract
Single-molecule fluorescence spectroscopy was used to study the behavior of a 2-hydroxy substituted nile red (NR-OH) dye in silica films incorporating amine gradients. These amine gradients were made by the vapor-phase deposition of 3-aminopropyltrimethoxysilane (3-APTMOS) onto microporous silica base layers in a humidity-controlled chamber. Water contact angle and ellipsometry measurements were used to confirm the formation of amine gradients. X-ray photoelectron spectroscopy (XPS) measurement of the nitrogen content of the gradient films showed that there was a gradual decrease in the amine content of the gradient films away from the 3-APTMOS reservoir. Bulk fluorescence studies of the dye in basic media of varying strengths showed that there is a hypsochromic shift in the emission maxima of the spectra with increasing basicity. Two-color fluorescence videos acquired along the gradients showed that the fluorescence of the dye was more intense in the 580/40 nm channel (where the deprotonated form of the dye is more prevalent) than the 640/40 nm channel at the high amine end of the films. With decrease in the amine content of the films, the fluorescence of the 580/40 nm channel decreases relative to the 640/40 nm channel. This study can aid in understanding the nature of active sites of bifunctional catalysts for an aldol condensation reaction carried out at the single molecule level.
Nanoparticle Conjugates of Selenium Compounds: Preparation, Characterisation and Electron Transfer Reactions
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Submitted: 28 Jul 2020
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Organoselenium compounds find many applications in biology, medicine and material science. One of the important features of selenium influencing the biological application is its redox state, which in turn is affected by its interactions with nearby heteroatoms. To modulate the biological action of selenium, researchers have designed new structural motifs and also developed new formulations using inorganic nanoparticles. Metal nanoparticles like gold nanoparticles (GNP) have been extensively studied for conjugation with many heteroatoms (sulphur, nitrogen, oxygen) containing ligands. Selenium being more polarisable than sulphur can induce significant surface passivation thereby providing easy modulations in physico-chemical properties. With this aim, we investigated the physico-chemical properties of a few selenium compounds conjugated to GNP and iron oxide (Fe3O4) based magnetic nanoparticles (MNP) Two water soluble selenium compounds (an aliphatic selenide and a selenolane ) were conjugated with GNP and characterised by spectroscopic and microscopic tools like optical absorption, Raman spectroscopy, DLS, Zeta potential and TEM. The results confirmed that the selenium atom was covalently conjugated to GNP and this conjugation has not only increased their electron transfer ability but also their antioxidant ability. In another study two asymmetric phenyl selenides were conjugated with MNP and characterised by XRD, TEM, DLS and zeta-potential. The radical scavenging ability of the selenium compound improved on conjugation with the MNPs. Thus, the above studies confirmed that the redox activities of selenium compounds can be modulated on conjugating with inorganic nanoparticles like GNP and MNP, which in turn provide new avenues for delivering organoselenium compounds.
Expanding the Valorization Routes of Cheese Whey: Lactose Hydrolysis Using A. awamori-derived β-Galactosidase for the Subsequent Production of Bacterial Cellulose
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Submitted: 31 Oct 2020
Abstract: Show Abstract
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Cheese whey constitutes one of the most polluting by-products of food industry. Regardless the numerous bioprocessing approaches that have been proposed for whey lactose utilization, still, valorization options are restricted by the fact that the majority of strains do not express the gene that encodes β-galactosidase. As a result, the formulation of several high value-added products is hindered, entailing at the same time definite end applications.
The aim of this work was to undertake the cost-effective production of crude enzymes, including β-galactosidase, and the subsequent exploitation of whey hydrolysate in an upstream bioconversion process resulting in bacterial cellulose (BC) production.
The ability of Aspergillus awamori to secrete β-galactosidase was evaluated via SSF using wheat bran as substrate. Specifically β-galactosidase was assessed at 60-75 % initial moisture content. Crude enzyme extracts produced, were employed in whey hydrolysis at different temperatures (50-70°C) to estimate the effect of temperature in lactose hydrolysis. Subsequently, hydrolyzed whey was used for BC production by Acetobacter xylinum.
Results demonstrate that β-galactosidase production was notably affected by moisture content and fermentation time, whereas the maximum activity of 148 U/g was observed at 70% initial moisture content after 79h of SSF. Hydrolysis kinetics showed a 93% lactose hydrolysis at 48h. The produced crude hydrolyzate was subsequently utilized in BC fermentations, leading to the production of up to 5.5 g/L of BC.
Evidently, the above findings exhibit a novel and promising approach with respect to cheese whey hydrolysis, thereby expanding the output potential for end products.
Integrating Diphenyl Diselenide and Its MeHg+ Detoxificant Mechanism on a Conceptual DFT Framework
Submitted: 31 Jul 2020
Abstract: Show Abstract
Methylmercury is an important environmental contaminant and its toxicity in vertebrates is associated with its interaction with selenium (e.g., selenol groups of selenoproteins or HSe- the pivotal metabolite for selenium incorporation into selenoproteins). In a previous study, we demonstrated that diphenyl diselenide (PhSe)2 decreased the deposition of Hg in mice treated with MeHg+. We hypothesized that (PhSe)2 could be reduced metabolically to its selenol intermediate phenylselenol (PhSeH), which reacted with MeHg+ to form PhSeHgMe. To further support our hypothesis, in this work, we investigate the electronic chemical reactivity descriptors at ZORA-OPBE-D3(BJ)/ level of theory using the Fukui functions and the Dual descriptors. The results indicate that (PhSe)2 and diphenyl disulfide (PhS)2 (f+ > f- ) act as poor nucleophiles towards MeHg+ and thus cannot be the detoxificant agent. As further proof, the reaction between diphenyl diselenide and MeHgCl was followed via UV-vis spectrophotometry and the spectra of the relevant species were computed using time-dependent density functional theory (TD-DFT) (CPCM-ZORA-CAM-B3LYP/ZORA-def2-TZVP). The large aromatic system in (PhSe)2 ensures the delocalization of electrons and directly influences the HOMO-LUMO gap (HLG) (3.34 eV) < HLG of PhSeH (3.99 eV). A similar trend was observed with HLG (2.65 eV) for (PhS)2 and 4.13 eV for PhSH. This selenol intermediate is the active reactant, experimentally generated from the reduction of (PhSe)2 by NaBH4, which in presence of MeHgCl forms methylmercury phenylselenide complex (PhSeHgMe), i.e. a non-toxic metabolite of methylmercury formed after administration of (PhSe)2 to mice.
Call for Papers
The 1st International Electronic Conference on Catalysis Sciences will be held on 10–30 November 2020. ECCS 2020 aims to promote and advance the exciting and rapidly changing field of catalysis. All proceedings will be held online at https://sciforum.net/conference/ECCS2020.
Topics of interest include, but are not limited to:
- Single Atom catalysts
- Catalysts for Natural Gas Conversion
- Catalysts for Biomass Conversion
- Computational Catalysis
- Catalyst Synthesis and Characterization
- e-WSeS 2020
ECCS 2020 is a virtual conference sponsored by Catalysts. Participation is free of charge for authors and attendees. Accepted papers will be gathered in the proceedings of the conference. Selected extended versions of the papers will be published in a Special Issue of Catalysts and undergo full peer review (ISSN 2073-4344; impact factor: 3.520 (2019)) with a 20% discount on the article processing charge. ECCS 2020 offers you the opportunity to participate in this international, scholarly conference without the concerns or expenditure of travel—all you need is your computer and access to the internet. We would like to invite you to attend this conference and present your latest work.
Abstracts (in English) should be submitted online by 31 July 2020 at https://sciforum.net/conference/ECCS2020. For accepted abstracts, the proceedings can be submitted by 30 September 2020. The conference will be held on 10–30 November 2020.
Paper Submission Guidelines
For information about the submission procedure and preparation of a full presentation, please refer to the "Instructions for Authors".
- Abstract Submission: 31 July 2020
- Notification of Acceptance: 10 August 2020
- Paper Submission Deadline: 30 September 2020
- Conference Open: 10–30 November 2020
We thank you in advance for your attendance of this conference and look forward to a stimulating exchange.
Instructions for Authors
Submissions should be submitted by the authors online by registering at https://sciforum.net/conference/ECCS2020, and using the “Submit Abstract” function once logged into system.
- Scholars interested in participating with the conference can submit their abstract (about 200–250 words covering the areas of manuscripts for the proceedings issue) online at this website up to 31 July 2020.
- The Conference Committee will conduct a pre-evaluation, based on the submitted abstract, of whether the contribution from the authors of the abstract will be welcome for the 1st International Electronic Conference on Catalysis Sciences. All authors will be notified by 10 August 2020 about the acceptance of their abstract.
- If the abstract is accepted for this conference, the author is asked to submit the manuscript optionally along with a PowerPoint and/or video presentation of his/her paper (only PDF), up to the submission deadline of 30 September 2020.
- The conference proceedings papers and presentations will be available at https://sciforum.net/conference/ECCS2020 for discussion during the time of the conference, 10–30 November 2020, and will be published in Journal Chemistry Proceedings.
- The open access journal Catalysts will publish a Special Issue of the conference and accepted papers will be published in the proceedings of the conference itself. After the conference, the Conference Committee will select manuscripts that may be included for publication in the Special Issue of the journal Catalysts (the submission to the journal is independent from the conference proceedings and will follow the usual process of the journal, including peer-review, APC, etc.).
- Full author names
- Affiliations (including full postal address) and authors’ e-mail addresses
- Abstract (200–250 words)
- Results and Discussion
Authors that wish to present only a poster, i.e., without a proceedings paper, can do so in section J. Posters will be available on the conference website during and after the event. Similarly to papers presented at the conference, participants will be able to ask questions and make comments about the posters. Posters that are submitted without a paper will not be included in the proceedings of the conference.
- MS Word: Manuscript prepared in MS Word must be converted into a single file before submission. When preparing manuscripts in MS Word, the 1st International Electronic Conference on Catalysis Sciences Microsoft Word template file (see download below) must be used. Please do not insert any graphics (schemes, figures, etc.) into a movable frame which can superimpose the text and make layout very difficult.
- LaTeX: Manuscripts prepared in LaTeX must be collated into one ZIP folder (include all source files and images so that the Conference Secretariat can recompile the submitted PDF). When preparing manuscripts in LaTeX, please use the 1st International Electronic Conference on Catalysis Sciences LaTeX template files.
- Paper Format: A4 paper format, the printing area is 17.5 cm × 26.2 cm. The margins should be 1.75 cm on each side of the paper (top, bottom, left, and right sides).
- Paper Length: The conference proceedings paper should not be longer than 6 pages. The conference manuscript should be as concise as possible.
- Formatting/Style: The paper style of the journal Chemistry Proceedings should be followed. You may download the template file to prepare your paper (see above). The full titles of the cited papers must be given. Reference numbers should be placed in square brackets [ ], and placed before punctuation; for example  or [1–3], and all the references should be listed separately and as the last section at the end of the manuscript.
- Authors List and Affiliation Format: Authors’ full first and last names must be given. Abbreviated middle name(s) can be added. For papers written by various contributors, a corresponding author must be designated. The PubMed/MEDLINE format is used for affiliations: complete street address information including city, zip code, state/province, country, and email address should be added. All authors who contributed significantly to the manuscript (including writing a section) should be listed on the first page of the manuscript, below the title of the article. Other parties who provided only minor contributions should only be listed under Acknowledgments. A minor contribution might be a discussion with the author, reading through the draft of the manuscript, or performing English corrections.
- Figures, Schemes, and Tables: Authors are encouraged to prepare figures and schemes in color. Full color graphics will be published free of charge. Figure and schemes must be numbered (Figure 1, Scheme I, Figure 2, Scheme II, etc.) and an explanatory title must be added. Tables should be inserted into the main text, and numbers and titles for all tables supplied. All table columns should have an explanatory heading. Please supply legends for all figures, schemes, and tables. The legends should be prepared as a separate paragraph of the main text and placed in the main text before a table, figure, or scheme.
To acknowledge the support of the conference esteemed authors and recognize their outstanding scientific accomplishments, we are pleased to launch the Best Paper Awards and Best Poster Awards.
The Best Paper Award is presented to the paper judged to make the most significant contribution to the conference.
The Best Poster Award was established to recognize the scientific merit exhibited in poster presentation and preparation.
Terms and Conditions:
Best Paper Award
As a sponsor, Catalysts would like to award the best paper as elected by the conference committee. The award will consist of 500 Swiss Francs. We look forward to posting your contributions.
Criteria for Evaluation of Best Paper Award:
- Full paper must be submitted to ECCS 2020;
- Originality/novelty of the paper;
- Significance of content;
- Scientific soundness;
- Interest to the readers;
- English language and style.
- Each Evaluation Committee member will give an assessment for each applicant in terms of the criteria outlined above;
- The total score for each presentation will be ranked from highest to lowest;
- If two or more authors receive the same score, further evaluation will be carried out;
- All decisions made by the Evaluation Committee are final.
Best Poster Award
As a sponsor, Catalysts would like to grant an award (500 Swiss Francs) for the best poster presented at the conference. This prize is awarded by a jury to the best designed poster presented at the conference.
Posters should have the following information.
- Title (with authors and affiliations)
- Contact information
- A 3-minute video presentation
During the conference, the chair is invited to judge the quality of the 3-minute video presentation and poster. Criteria for judgement of the presentation will be the ability to summarize the content of the work and motivate the interest in looking at the poster. In addition, the clarity of poster and appearance quality will be considered.
Prof. Dr. Vincenzo Vaiano, Department of Industrial Engineering, University Salerno, Via Giovanni Paolo 2 132, I-84084 Fisciano, Salerno, Italy
E. Catalysts for Biomass Conversion
Prof. Dr. Christophe Len, Chimie ParisTech - CNRS, Institute of Chem. For Life & Health Sciences, 11 rue P&M Curie, F-75231 Paris Cedex 05, France, Centre de Recherche Royallieu, Université de Technologie de Compiègne – UTC, F-60200 Compiègne, France, http://lenresearch.com
F. Computational Catalysis
Prof. Dr. C. Heath Turner, Department of Chemical and Biological Engineering The University of Alabama, Tuscaloosa, AL, USA
G. Catalyst Synthesis and Characterization
Prof. Dr. Rafael Luque, Department of Organic Chemistry, Universidad de Cordoba, Cordoba, Spain
Dr. Evangelos Topakas, Biotechnology Laboratory, School of Chemical Engineering, National Technical University of Athens
I. Invited Session. e-WSeS 2020
This Special Session will focus on the thematics developed within the Selenium Sulphur Redox and Catalysis Network (SeSRedCat) in the year of the global lockdown and mobility restrictions connected with COVID-19. e-WSeS 2020 is a special edition that will replace the physical meeting whose 9th edition in Lodz (Poland) has been postponed to 2021. Our intention is to create a safe opportunity for all our students and researchers to share ideas and results, even during this particularly challenging period, and we agreed with the proposal to establish the 1st International Electronic Conference on Catalysis Sciences as an invited session of this event.
Participation is free of charge for authors and attendees. Accepted papers will be gathered in the proceedings of the conference (unless otherwise requested by the authors). Selected extended versions of the papers will be invited to publish in a Special Issue of Catalysts and undergo full peer review (ISSN 2073-4344; impact factor: 3.444 (2018)) with a 20% discount on the article processing charge. We would like to invite all SeSRedCat members to attend this conference, presenting their works in one of the formats accepted and described in the "Instructions for Authors" (including, also, the possibility to submit a short video). We also invite all interested scholars to join the network for free by filling in an online request at https://www.sesredcat.org/.
Abstracts (in English) should be submitted online by 31 July 2020 at https://eccs2020.sciforum.net. For accepted abstracts, the proceedings can be submitted by 15 September 2020. The conference will be held on 10–30 November 2020.
Looking forward to meeting all of you soon, and we hope that you remain healthy and safe during this challenging and complicated period.
Prof. Dr. Claudio Santi, Department Pharmaceutical Sciences, University of Perugia, Perugia, Italy
Dr. K Indira Priyadarsini, UM-DAE Centre for Excellence in Basic Sciences, University of Mumbai, Maharashtra, India
Prof. Dr. Mostafa Khouili, Department of Chemistry and Environment, University Sultan Moulay Slimane, Beni-Mellal, Morocco
Dr. Eduardo E. Alberto, Department of Chemistry, Federal University of Minas Gerais, Belo Horizonte, MG, Brazil