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Crystal structure and Hirshfeld surface analysis of 1-carb-oxy-2-(3,4-di-hydroxy-phen-yl)ethan-1-aminium bromide 2-ammonio-3-(3,4-di-hydroxy-phen-yl)propano-ate.
Kathiravan P, Balakrishnan T, Venkatesan P, Ramamurthi K, Percino MJ, Thamotharan S. Kathiravan P, et al. Among authors: thamotharan s. Acta Crystallogr E Crystallogr Commun. 2016 Oct 7;72(Pt 11):1544-1548. doi: 10.1107/S2056989016015425. eCollection 2016 Nov 1. Acta Crystallogr E Crystallogr Commun. 2016. PMID: 27840704 Free PMC article.
Crystal structure and Hirshfeld surface analysis of 1-carb-oxy-2-(3,4-di-hydroxy-phen-yl)ethan-1-aminium chloride 2-ammonio-3-(3,4-di-hydroxy-phen-yl)propano-ate: a new polymorph of l-dopa HCl and isotypic with its bromide counterpart.
Kathiravan P, Balakrishnan T, Venkatesan P, Ramamurthi K, Percino MJ, Thamotharan S. Kathiravan P, et al. Among authors: thamotharan s. Acta Crystallogr E Crystallogr Commun. 2016 Oct 25;72(Pt 11):1628-1632. doi: 10.1107/S2056989016016789. eCollection 2016 Nov 1. Acta Crystallogr E Crystallogr Commun. 2016. PMID: 27840723 Free PMC article.
Qu-anti-tative analysis of weak non-covalent inter-actions in (Z)-3-(4-chloro-phen-yl)-2-phenyl-acrylo-nitrile: insights from PIXEL and Hirshfeld surface analysis.
Udayakumar M, Cerón M, Ceballos P, Percino J, Thamotharan S. Udayakumar M, et al. Among authors: thamotharan s. Acta Crystallogr E Crystallogr Commun. 2019 Mar 26;75(Pt 4):499-505. doi: 10.1107/S2056989019003694. eCollection 2019 Apr 1. Acta Crystallogr E Crystallogr Commun. 2019. PMID: 31161064 Free PMC article.
X-ray and theoretical investigation of (Z)-3-(adamantan-1-yl)-1-(phenyl or 3-chlorophenyl)-S-(4-bromobenzyl)isothioureas: an exploration involving weak non-covalent interactions, chemotherapeutic activities and QM/MM binding energy.
Al-Omary FAM, Chowdary Gude N, Al-Rasheed LS, Alkahtani HN, Hassan HM, Al-Abdullah ES, El-Emam AA, Percino MJ, Thamotharan S. Al-Omary FAM, et al. Among authors: thamotharan s. J Biomol Struct Dyn. 2022 Apr;40(6):2530-2545. doi: 10.1080/07391102.2020.1840443. Epub 2020 Nov 5. J Biomol Struct Dyn. 2022. PMID: 33150854
Probing the Effect of Halogen Substituents (Br, Cl, and F) on the Non-covalent Interactions in 1-(Adamantan-1-yl)-3-arylthiourea Derivatives: A Theoretical Study.
Al-Wahaibi LH, Grandhi DS, Tawfik SS, Al-Shaalan NH, Elmorsy MA, El-Emam AA, Percino MJ, Thamotharan S. Al-Wahaibi LH, et al. Among authors: thamotharan s. ACS Omega. 2021 Feb 10;6(7):4816-4830. doi: 10.1021/acsomega.0c05793. eCollection 2021 Feb 23. ACS Omega. 2021. PMID: 33644590 Free PMC article.
Supramolecular Self-Assembly Built by Weak Hydrogen, Chalcogen, and Unorthodox Nonbonded Motifs in 4-(4-Chlorophenyl)-3-[(4-fluorobenzyl)sulfanyl]-5-(thiophen-2-yl)-4H-1,2,4-triazole, a Selective COX-2 Inhibitor: Insights from X-ray and Theoretical Studies.
Al-Wahaibi LH, Rahul B, Mohamed AAB, Abdelbaky MSM, Garcia-Granda S, El-Emam AA, Percino MJ, Thamotharan S. Al-Wahaibi LH, et al. Among authors: thamotharan s. ACS Omega. 2021 Mar 3;6(10):6996-7007. doi: 10.1021/acsomega.0c06287. eCollection 2021 Mar 16. ACS Omega. 2021. PMID: 33748613 Free PMC article.
Solution and Solid-State Photophysical Properties of Positional Isomeric Acrylonitrile Derivatives with Core Pyridine and Phenyl Moieties: Experimental and DFT Studies.
Castillo A, Ceballos P, Santos P, Cerón M, Venkatesan P, Pérez-Gutiérrez E, Sosa-Rivadeneyra M, Thamotharan S, Siegler MA, Percino MJ. Castillo A, et al. Among authors: thamotharan s. Molecules. 2021 Mar 10;26(6):1500. doi: 10.3390/molecules26061500. Molecules. 2021. PMID: 33801942 Free PMC article.
129 results