Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Sudharsan Pandiyan"'
Publikováno v:
Polymers, Vol 15, Iss 20, p 4161 (2023)
Methacrylate-based polyhedral oligomeric silsesquioxane (POSS) is one of the new composites used as a dental resin. Both monofunctional methacryl isobutyl POSS (MIPOSS) and multifunctional methacryl POSS (MAPOSS) are reported to be possible resins th
Externí odkaz:
https://doaj.org/article/c8a570de1bb44d1f9930d682bbd0b7a2
Publikováno v:
Polymers, Vol 15, Iss 2, p 432 (2023)
Nanocomposites of methacrylate-based polyhedral oligomeric silsesquioxane (POSS) are used as resins in dentistry to fill dental cavities. In this article, molecular dynamics simulations (MDS) are used to study and understand the interactions of monof
Externí odkaz:
https://doaj.org/article/594ea9293a4f495399400ca426fde23b
Publikováno v:
Polymers, Vol 14, Iss 9, p 1779 (2022)
Packaging material has a significant role in maintaining or altering the shelf life of different products. Polymer materials are extensively used as packaging materials for different perishable and non-perishable products both during transportation a
Externí odkaz:
https://doaj.org/article/b8926d588bcf4a538cf7fc99f572b321
Autor:
Gururaj C. Aithal, Usha Yogendra Nayak, Chetan Mehta, Reema Narayan, Pratibha Gopalkrishna, Sudharsan Pandiyan, Sanjay Garg
Publikováno v:
Molecules, Vol 23, Iss 6, p 1363 (2018)
This study was aimed at formulating a bioabsorbable, controlled-release, nanoemulgel of Quercetin, a potent antimicrobial and anti-inflammatory agent for the treatment of periodontitis that could improve its solubility and bioavailability. Screening
Externí odkaz:
https://doaj.org/article/5498debae1264316bf7bd608191ebcdd
Autor:
Poulumi Dey, Sudharsan Pandiyan, Surabhi Aswath, Anoop Kishore Vatti, Anindita Laha, Agneya Kamath
Publikováno v:
Journal of Molecular Liquids, 348
Doxorubicin is cytotoxic anthracycline antibiotic drug used in cancer treatment. The drug’s efficacy in various kinds of cancer made its usage dominant for treating cancers. In this study, we determined the solubility of the doxorubicin in three di
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f7bacdce6c5e60f29213f8f632ec9830
http://resolver.tudelft.nl/uuid:54741e3a-6057-44d4-88a2-b8dcdd88b52f
http://resolver.tudelft.nl/uuid:54741e3a-6057-44d4-88a2-b8dcdd88b52f
Autor:
Poulumi Dey, Laxman Kumar Kundarapu, Sriprasad Acharya, Anoop Kishore Vatti, Sudharsan Pandiyan, Usha Y. Nayak, Shivaprasad Gadag, Satyajeet Choudhury
Publikováno v:
Journal of Molecular Liquids, 339
The aggregation behavior of asphaltene in the toluene-hexane mixture is systematically investigated using experimental techniques such as optical microscopy and Fourier-transform infrared spectroscopy (FTIR) combined with molecular dynamics (MD) simu
Publikováno v:
Journal of Computational Chemistry. 39:648-664
We present a comprehensive approach for reverse mapping of complex polymer systems in which the connectivity is created by the simulation of chemical reactions at the coarse-grained scale. Within the work, we use a recently developed generic adaptive
Publikováno v:
Journal of Chemical Theory and Computation. 12:5549-5562
In this paper, we propose a new generic approach for reverse mapping from coarse-grained to atomistic scale based on the adaptive resolution scheme (AdResS). In AdResS simulation, two spatial domains, modeled at two different scales, are brought toge
Autor:
Gururaj C. Aithal, Pritesh Bhat, Sudharsan Pandiyan, Reema Narayan, Chetan Hasmukh Mehta, Usha Y. Nayak, Sanjay Garg, Swapnil J. Dengale, Abhishek Shah
In this study, we designed a fixed-dose combination (FDC) for Darunavir (DRV) and Ritonavir (RTV) using molecular simulations as a tool. Molecular modeling allowed us to choose the solvent and antisolvent required for the formation of nanosuspension
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cff6f7b9c71221ec1c9bfc6e097cebb3
https://hdl.handle.net/11541.2/138995
https://hdl.handle.net/11541.2/138995
Publikováno v:
Computational Materials Science. 106:29-37
Classical all-atom molecular dynamics simulations were used to build and study a polymer network model of EPON-828 as an epoxy and diethylenetriamine as a cross-linker. A cut-off based cross-linking algorithm was adopted to make the cross-linking bon