Search results
- 1.0573772 - ÚOCHB 2024 RIV US eng J - Journal Article
Das, Moumita - Gangopadhyay, Debraj - Hudecová, J. - Kessler, Jiří - Kapitán, J. - Bouř, Petr
Monitoring Conformation and Protonation States of Glutathione by Raman Optical Activity and Molecular Dynamics.
ChemPlusChem. Roč. 88, č. 11 (2023), č. článku e202300219. ISSN 2192-6506. E-ISSN 2192-6506
R&D Projects: GA ČR(CZ) GA22-04669S
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : density functional theory * glutathione * molecular dynamics * Raman optical activity * spectra modeling
OECD category: Physical chemistry
Impact factor: 3.4, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/cplu.202300219
Permanent Link: https://hdl.handle.net/11104/0344134 - 2.0561796 - ÚOCHB 2024 RIV NL eng J - Journal Article
Das, Moumita - Gangopadhyay, Debraj - Pelc, Radek - Hadravová, Romana - Šebestík, Jaroslav - Bouř, Petr
Aggregation-aided SERS: Selective detection of arsenic by surface-enhanced Raman spectroscopy facilitated by colloid cross-linking.
Talanta. Roč. 253, February (2023), č. článku 123940. ISSN 0039-9140. E-ISSN 1873-3573
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA22-04669S
Institutional support: RVO:61388963
Keywords : arsenic detection * surface-enhanced Raman scattering * silver nanoparticles * colloid cross-linking
OECD category: Physical chemistry
Impact factor: 6.1, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.talanta.2022.123940
Permanent Link: https://hdl.handle.net/11104/0334304 - 3.0544797 - ÚOCHB 2022 RIV NL eng J - Journal Article
Das, Moumita - Singh, K. K. - Khan, E. - Sinha, R. K. - Singh, R. K. - Tandon, P. - Gangopadhyay, Debraj
N-Acetylcysteine versus arsenic poisoning: A mechanistic study of complexation by molecular spectroscopy and density functional theory.
Journal of Molecular Liquids. Roč. 340, Oct 15 (2021), č. článku 117168. ISSN 0167-7322. E-ISSN 1873-3166
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA20-10144S
Institutional support: RVO:61388963
Keywords : arsenic * NAC * Raman spectroscopy * SERS * DFT * transition state calculations
OECD category: Physical chemistry
Impact factor: 6.633, year: 2021
Method of publishing: Limited access
https://doi.org/10.1016/j.molliq.2021.117168
Permanent Link: http://hdl.handle.net/11104/0321604 - 4.0543207 - ÚOCHB 2022 RIV GB eng J - Journal Article
Das, Moumita - Gangopadhyay, Debraj - Šebestík, Jaroslav - Habartová, L. - Michal, P. - Kapitán, J. - Bouř, Petr
Chiral detection by induced surface-enhanced Raman optical activity.
Chemical Communications. Roč. 57, č. 52 (2021), s. 6388-6391. ISSN 1359-7345. E-ISSN 1364-548X
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA20-10144S
Institutional support: RVO:61388963
Keywords : vibrational circular-dichroism * molecules * scattering
OECD category: Physical chemistry
Impact factor: 6.065, year: 2021
Method of publishing: Open access
https://doi.org/10.1039/D1CC01504D
Permanent Link: http://hdl.handle.net/11104/0320477 - 5.0524381 - ÚOCHB 2021 RIV GB eng J - Journal Article
Gangopadhyay, Debraj - Das, Moumita - Singh, K. K. - Singh, R. K. - Tandon, P.
Attenuating the increased level of creatinine by N-acetylcysteine: Raman spectroscopy and density functional theory-based monitoring of in vitro complexation in aqueous solution.
Journal of Raman Spectroscopy. Roč. 51, č. 7 (2020), s. 1056-1066. ISSN 0377-0486. E-ISSN 1097-4555
Institutional support: RVO:61388963
Keywords : creatinine * N-acetylcysteine * Raman spectroscopy * DFT * complexation
OECD category: Physical chemistry
Impact factor: 3.133, year: 2020
Method of publishing: Limited access
https://onlinelibrary.wiley.com/doi/full/10.1002/jrs.5890
Permanent Link: http://hdl.handle.net/11104/0308736