Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Vera Khoirunisa"'
Autor:
Roichatul Madinah, Febdian Rusydi, Rizka N. Fadilla, Vera Khoirunisa, Lusia S. P. Boli, Adhitya G. Saputro, Nur H. Hassan, Azizan Ahmad
Publikováno v:
ACS Omega, Vol 8, Iss 37, Pp 34022-34033 (2023)
Externí odkaz:
https://doaj.org/article/edfe1a30c74b46a4a4b667d6fd32883a
Autor:
Vera Khoirunisa, Febdian Rusydi, Lusia S. P. Boli, Ira Puspitasari, Heni Rachmawati, Hermawan K. Dipojono
Publikováno v:
Royal Society Open Science, Vol 8, Iss 2 (2021)
Density functional theory has been gaining popularity for studying the radical scavenging activity of antioxidants. However, only a few studies investigate the importance of calculation methods on the radical-scavenging reactions. In this study, we e
Externí odkaz:
https://doaj.org/article/aa919608dfb64b4ca1e194f27d712076
Autor:
Rizka N. Fadilla, Febdian Rusydi, Nufida D. Aisyah, Vera Khoirunisa, Hermawan K. Dipojono, Faozan Ahmad, Mudasir Mudasir, Ira Puspitasari
Publikováno v:
Molecules, Vol 25, Iss 3, p 670 (2020)
Acetylcholine, which is associated with Alzheimer’s disease, is widely known to have conformers. The preference of each conformer to undergo neutral hydrolysis is yet to be considered. In this study, we employed density-functional calculations to b
Externí odkaz:
https://doaj.org/article/73753c89955743f7befc55a62987acfb
Autor:
Vera Khoirunisa Vera Khoirunisa, Febdian Rusydi Febdian Rusydi, Roichatul Madinah Roichatul Madinah, Hermawan Kresno Dipojono Hermawan Kresno Dipojono, Faozan Ahmad Faozan Ahmad, Mudasir Mudasir, Ira Puspitasari Ira Puspitasari, Azizan Ahmad Azizan Ahmad
Publikováno v:
Sains Malaysiana. 51:2097-2118
First-principles calculations are commonly used to search for possible transition states in reaction kinetics studies, which are such a challenge to observe experimentally. However, computationally studying the reaction is also challenging because of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8ed5e11d038ee3ea1d3e30be838e2882
https://doi.org/10.17576/jsm-2022-5107-13
https://doi.org/10.17576/jsm-2022-5107-13
Publikováno v:
Indonesian Applied Physics Letters. 3:16-19
Some molecules in nature have a positive or negative charge. One such molecule is acetylcholine. Acetylcholine is a positively charged molecule that is responsible for Alzheimer's disease. This study evaluated acetylcholine through six simple molecul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b6b1e010d6cc1459804c56cd26bd032f
https://doi.org/10.20473/iapl.v3i1.39777
https://doi.org/10.20473/iapl.v3i1.39777
Autor:
Lusia S. P. Boli, Heni Rachmawati, Vera Khoirunisa, Hiroshi Nakanishi, Febdian Rusydi, Hideaki Kasai, Hermawan Kresno Dipojono, Adhitya Gandaryus Saputro
Publikováno v:
Food Biophysics. 16:337-345
Melinjo seed extract contains melinjo resveratrol compounds that has antioxidant activity. The radical-scavenging sites required for the antioxidant activity, however, is yet to be located. We report a computational study that aims to locate scavengi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3f272a7795ba412a94035435da6aa57d
https://doi.org/10.1007/s11483-021-09666-y
https://doi.org/10.1007/s11483-021-09666-y
Autor:
Febdian Rusydi, Vera Khoirunisa, Ira Puspitasari, Heni Rachmawati, Lusia S. P. Boli, Hermawan Kresno Dipojono
Publikováno v:
Theoretical Chemistry Accounts. 140
Hydrogen atom transfer is one important reaction in biological system, in industry, and in atmosphere. The reaction is preluded by hydrogen bond dissociation. To gain a comprehensive understanding on the reaction, it is necessary to investigate how t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::839acaff3766e0af2247d6be7ed10a8d
https://doi.org/10.1007/s00214-021-02781-6
https://doi.org/10.1007/s00214-021-02781-6
Autor:
Febdian Rusydi, Rizka Nur Fadilla, Heni Rachmawati, Vera Khoirunisa, Lusia S. P. Boli, Adhitya Gandaryus Saputro, Hermawan Kresno Dipojono
Publikováno v:
Materials Science Forum. 966:229-233
We have been investigating the scavenging activity of gnetin C theoretically in the molecular level. In this work, we perform density functional based calculations to predict the possible site of gnetin C for free radical scavenging activity. The wat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::08e3d7a1e719d41edd1565dd56d15b1d
https://doi.org/10.4028/www.scientific.net/msf.966.229
https://doi.org/10.4028/www.scientific.net/msf.966.229
Autor:
Vera Khoirunisa, Nufida Dwi Aisyah, Heni Rachmawati, Febdian Rusydi, Lusia S. P. Boli, Hermawan Kresno Dipojono
Publikováno v:
Materials Science Forum. 966:215-221
Solvent effect on bond dissociation enthalpy (BDE) of different functional groups of tetrahydrocurcumin is investigated. This is to evaluate how the polarity of a medium affect BDE and to clarify which functional groups hold the key role in its antio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a0030d64681c09669048849b89f77a7b
https://doi.org/10.4028/www.scientific.net/msf.966.215
https://doi.org/10.4028/www.scientific.net/msf.966.215
Autor:
Ira Puspitasari, Heni Rachmawati, Vera Khoirunisa, Lusia S. P. Boli, Hermawan Kresno Dipojono, Febdian Rusydi
Publikováno v:
Royal Society Open Science
Royal Society Open Science, Vol 8, Iss 2 (2021)
Royal Society Open Science, Vol 8, Iss 2 (2021)
Density functional theory has been gaining popularity for studying the radical scavenging activity of antioxidants. However, only a few studies investigate the importance of calculation methods on the radical-scavenging reactions. In this study, we e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1aebd80fdf431ff941efbbe21c00c4b3
http://europepmc.org/articles/PMC8074789
http://europepmc.org/articles/PMC8074789