Volume 3 Computational, Education, and Materials Science Aspects

Published by De Gruyter 2022

Volume 3 Computational, Education, and Materials Science Aspects

Edited by: Ponnadurai Ramasami

Part of the multi-volume work Chemical Sciences for the New Decade

https://doi.org/10.1515/9783110783643

Overview
Contents

About this book

Chapters collected from “The Virtual Conference on Chemistry and its Applications (VCCA-2021) – Research and Innovations in Chemical Sciences: Paving the Way Forward”. This conference was held in August 2021 and organized by the Computational Chemistry Group of the University of Mauritius. These peer-reviewed chapters offer insights into research on fundamental and applied chemistry with interdisciplinary subject matter.

Volume 3 contains peer-reviewed chapters on topics in computation chemistry, chemical education, and materials science.

Chapters submitted from attendees of the VCCA 2021 Conference.

Author / Editor information

Prof Ponnadurai Ramasami, CSci, CChem, FRSC, FICCE, MMast, received his PhD in Physical Chemistry and became full Professor in 2013. He leads the Computational Chemistry Group, Department of Chemistry, Faculty of Science at the University of Mauritius. The research group focuses on the use of computational methods to solve chemistry and interdisciplinary problems. The group is particularly interested to collaborate with experimentalists and try to use computational methods to complement experimental research. He has already published 260 research papers in peer-reviewed journals and he has edited several books. He is the chairman of the annual Virtual Conference on Chemistry and its Applications.

Topics

Frontmatter Publicly Available Download PDF	I
Preface Publicly Available Download PDF	V
Contents Publicly Available Download PDF	VII
List of contributing authors Publicly Available Download PDF	XIII
1 Synthesis, characterization, DFT and molecular docking studies of acetone O-((2,5-dichlorophenyl)sulfonyl) oxime Adem Korkmaz, Lydia Rhyman and Ponnadurai Ramasami Requires Authentication Unlicensed Licensed Download PDF	1
2 Photovoltaic properties of novel reactive azobenzoquinolines: experimental and theoretical investigations Hitler Louis, Ededet A. Eno, Tomsmith O. Unimuke, Ernest C. Agwamba, Anita T. Etim, Justina I. Mbonu, Henry O. Edet, ThankGod Egemoye, Kayode A. Adegoke and Umar S. Ameuru Requires Authentication Unlicensed Licensed Download PDF	13
3 Social media and learning in an era of coronavirus among chemistry students in tertiary institutions in Rivers State Chinda Worokwu and Kechinyere Chinda Requires Authentication Unlicensed Licensed Download PDF	37
4 A conversation on the quartic equation of the secular determinant of methylenecyclopropene Ponnadurai Ramasami Requires Authentication Unlicensed Licensed Download PDF	55
5 Modification of kaolinite/muscovite clay for the removal of Pb(II) ions from aqueous media Samuel Tetteh, Albert Ofori, Andrew Quashie, Sirpa Jääskeläinen and Sari Suvanto Requires Authentication Unlicensed Licensed Download PDF	65
6 In silico design of ACE2 mutants for competitive binding of SARS-CoV-2 receptor binding domain with hACE2 Yee Siew Choong and Theam Soon Lim Requires Authentication Unlicensed Licensed Download PDF	83
7 Computational study of Cu_nAgAu (n = 1–4) clusters invoking DFT based descriptors Prabhat Ranjan, Tanmoy Chakraborty and Shayeri Das Requires Authentication Unlicensed Licensed Download PDF	93
8 Antibreast cancer activities of phytochemicals from Anonna muricata using computer-aided drug design (CADD) approach Misbaudeen Abdul-Hammed, Ibrahim Olaide Adedotun, Karimot Motunrayo Mufutau, Bamidele Toheeb Towolawi, Tolulope Irapada Afolabi and Christianah Otoame Irabor Requires Authentication Unlicensed Licensed Download PDF	103
9 Development of an online assessment system to evaluate knowledge on chemical safety and security Imee Su Martinez, Daniel Ashok Maria Innasi and Rohan P. Perera Requires Authentication Unlicensed Licensed Download PDF	123
10 Optimizing Cr(VI) adsorption parameters on magnetite (Fe₃O₄) and manganese doped magnetite (Mn_xFe_(3-x)O₄) nanoparticles Linda Ouma, Agnes Pholosi and Martin Onani Requires Authentication Unlicensed Licensed Download PDF	137
11 The spontaneity of chemical reactions: challenges with handling the concept and its implications Liliana Mammino Requires Authentication Unlicensed Licensed Download PDF	149
12 Conformational preferences and intramolecular hydrogen bonding patterns of tetraflavaspidic acid BBBB – a tetrameric acylphloroglucinol Liliana Mammino Requires Authentication Unlicensed Licensed Download PDF	175
13 Synthesis, characterization, and theoretical investigation of 4-chloro-6(phenylamino)- 1,3,5-triazin-2-yl)asmino-4- (2,4-dichlorophenyl)thiazol-5-yl-diazenyl) phenyl as potential SARS-CoV-2 agent Hitler Louis, Ededet A. Eno, Tomsmith O. Unimuke, ThankGod C. Egemonye, Stephen A. Adalikwu, John A. Agwupuye, Diana O. Odey, Abu Solomon Abu, Ishegbe J. Eko, Chukwudubem E. Ifeatu and Tabe N. Ntui Requires Authentication Unlicensed Licensed Download PDF	197
14 Educators’ reflections on the teaching and learning of the periodic table of elements at the upper secondary level: a case study Fawzia Narod and Vickren Narrainsawmy Requires Authentication Unlicensed Licensed Download PDF	217
Index Requires Authentication Unlicensed Licensed Download PDF	233

(Deutsch)

Language: English
Publisher: De Gruyter
Audience: Chemists, chemical engineers and materials scientists.
Pages
- Front matter: 16
- Main content: 238
Illustrations
- Illustrations: 30
- Coloured Illustrations: 30
- Tables: 30
Keywords: Chemistry; Chemical Engineering

eBook

Published: October 3, 2022
ISBN: 9783110783643

Hardcover

Published: October 3, 2022
ISBN: 9783110783599