Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Articles Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource A novel laccase-based biocatalyst for selective electro-oxidation of 2-thiophene methanol Subject The topic of the resource 2-thiophene carboxaldehyde; Carbon fiber paper electrode; Immobilization; Laccase; Poly (3-aminobenzoic acid); TEMPO Description An account of the resource An effective biocatalyst was fabricated for TEMPO-mediated electrooxidation of 2-thiophene methanol. Laccase obtained from Trametes versicolor was covalently immobilized onto electrochemically polymerized ortho-amino benzoic acid (PABA) layer on carbon fiber paper (CFP) electrode. The composite material was characterized by Fourier transformed infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), Optical profilometry (OP), and scanning electron microscopy (SEM). Electrochemical parameters were studied using cyclic voltammetry (CV). Moreover, the developed biocatalyst (Lac-PABA/CFP) was used for selective conversion of 2-thiophene methanol to 2-thiophene carboxaldehyde using 2,2,6,6-Tetramethyl-1-piperidinyloxy, free radical (TEMPO) as a mediator. The formation of the product was confirmed via FTIR, GCMS, 1HNMR and 13CNMR. The enzyme activity of free and immobilized laccase was studied using 2, 2?-Azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) substrate at optimal conditions. Computational In silico analysis also suggested the presence of active sites (T2/T3 trimeric sites-copper ions) in laccase (PDB id: 1KYA's) interacting amino acid residues with the TEMPO and 2-thiophene methanol. Additionally, molecular dynamics simulations revealed that 2-thiophene methanol as compared to TEMPO is more stable (better RMSD, RMSF) in interacting with laccase specifically having strong interaction residues at Asp206, Glu242, Gly262, Gln293, and Glu302. Furthermore, the proposed strategy was confirmed by assessing the various interactions using computational tools. This work would be highly beneficial to develop an electrocatalyst for effective synthesis of 2-thiophene carboxaldehyde, a common intermediate in pharmaceutical, agrochemical, dye, fertilizer and chemical industries. 2021 Creator An entity primarily responsible for making the resource Benny L.; Cherian A.R.; Varghese A.; Sangwan N.; Avti P.K.; Hegde G. Source A related resource from which the described resource is derived Molecular Catalysis, Vol-516 Publisher An entity responsible for making the resource available Elsevier B.V. Date A point or period of time associated with an event in the lifecycle of the resource 2021-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1016/j.mcat.2021.111999" target="_blank" rel="noreferrer noopener">https://doi.org/10.1016/j.mcat.2021.111999</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85119287683&amp;doi=10.1016%2Fj.mcat.2021.111999&amp;partnerID=40&amp;md5=eb1538da8a533179a641f58f36e74f93" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85119287683&amp;doi=10.1016%2fj.mcat.2021.111999&amp;partnerID=40&amp;md5=eb1538da8a533179a641f58f36e74f93</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 24688231; CODEN: MCOAD Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Benny L., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Cherian A.R., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Varghese A., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Sangwan N., Department of Biophysics, Post Graduate Institute of Medical Education and Research, Chandigarh, 160012, India; Avti P.K., Department of Biophysics, Post Graduate Institute of Medical Education and Research, Chandigarh, 160012, India; Hegde G., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India, Center for Advanced Research and Development (CARD), CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India