The virtual conference on chemistry and its applications, VCCA-2022, 8–12 August 2022

The 2022 edition of the virtual conference on chemistry and its applications (VCCA-2022) was organized from 8th to 12th August 2022 [1]. The theme of the virtual conference was “Resilience and Sustainable Research through Basic Sciences”.

There were 210 presentations for the virtual conference with 500 participants from 55 countries. Out of the presentations, 20 of them were from keynote speakers. A secured platform was used for virtual interactions of the participants. After the virtual conference, there was a call for full papers to be considered for publication in the conference proceedings. Participants were invited to submit full papers to be considered as book chapters for books which are to be published by De Gruyter. Keynote speakers and selected participants were invited to submit full papers to be considered for the journal Pure and Applied Chemistry (PAC). All submissions were processed and reviewed as per the policy of De Gruyter for the book chapters and PAC for journal publication. These proceedings are in continuation with those [2], [3], [4], [5], [6], [7], [8], [9] from VCCA-2020.

This special issue of PAC is a collection of 11 accepted manuscripts covering topics ranging from pure to applied chemistry and computational chemistry. Several additional manuscripts from the conference are in preparation will be published in a future issue.

Nkosi et al. reported on the extraction of the bioflocculant from P. mirabilis AB 932526.1 using the solvent extraction method. They characterized the synthesized bioflocculant using different standard methods, and applied it in treating domestic wastewater and dye removal in comparison with other chemical flocculants. Moloto and co-workers studied the activation of H_nA–AH_n bonds (AH_n = CH₃, NH₂, OH, F) by PdL_n catalysts with L_n = no ligand, PH₃, (PH₃)₂, using relativistic density functional theory at ZORA-BLYP/TZ2P level. This computational research provides a deep physical insight into the factors controlling reactivity of the compounds studied. Deoghare presented a systematic computational study for understanding the mechanism of the atom transfer radical polymerization of itaconimide monomers and methyl methacrylate. The bond dissociation enthalpy, bond dissociation free energy, equilibrium constant, rate constant of propagation and activation energy involved in dimers and trimers formation were calculated using density functional theory methods. Oozeer and co-workers presented a new freely-downloadable hands-on density functional theory workbook using a freely downloadable version of deMon2k. The research of Mkhondwane and Pullabhotla was focused on the liquid phase selective oxidation of cyclohexane using gamma alumina doped manganese catalysts and ozone to have an insight into reaction mechanism. Saha and Bhattacharyya explored the alkali metal cation⋯hydrogen interaction in the formation half sandwich complexes with cycloalkanes based on density functional theory approach. The group of Costanzi illustrated how the Australia Group’s (AG) Chemical Weapons Precursors list can be made more comprehensive by adopting a family-based approach for the listing of some of the chemicals of concern. They explained how cheminformatics solutions can enable such a change, thus fostering a closer alignment between the AG Chemical Weapons Precursors list and the Chemical Weapons Convention Schedules and ultimately helping to close gaps that could be exploited by proliferators. Beebeejaun-Boodoo and Rademeyer reported on the crystal structures of six new coordination complexes prepared from the combination of N-((3-pyridyl)methyl)-1,8-naphthalimide and divalent metal halides, including CoX₂ (X = Cl⁻, Br⁻) and ZnX₂ (X = Cl⁻, Br⁻), in different solvents, together with their fluorescence properties. There were interested to determine the effect of the metal ion, halido ion and solvent of crystallisation on the structural characteristics and fluorescence properties of the coordination compounds. Mumuni et al. provided evidence from in vivo proton magnetic resonance spectroscopy study to show that peripheral inflammation is associated with alterations in brain biochemistry and mood. Tahmid and Syeda research work was to investigate gaps in conceptual process design and existing sustainability assessment methods. A possible workflow that incorporates safety and environmental impact in a holistic multi-criterion decision-making framework (MCDM) was proposed to select the most sustainable process route. Margetić reviewed on the recent developments in the fast growing field of organic mechanochemistry. The advantages of mechanochemistry are versatile, from reduction of solvent use, increase of reaction efficiency to better environmental sustainability.

It is hoped the full papers from this special issue will add to literature and they will be useful references for researchers.

To conclude, VCCA-2022 was a successful event and acknowledgements go to all those who have contributed, the Organising and International Advisory committee members, the participants and the reviewers. It is worth to point out the sponsorship from the Organisation of Prohibition of Chemical Weapons [10] and The Abdus Salam International Centre for Theoretical Physics [11] and the endorsement from the International Union of Pure and Applied Chemistry [12].