Detalles de la búsqueda
1.
Exploring the Correlation between Azido-Tetrazolo Tautomerizations and Isomer Structures: Electron Density of Bonding N Atoms and N-N Bond Polarity.
J Phys Chem A
; 128(18): 3557-3563, 2024 May 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-38666353
2.
How are N-methylcarbamates encapsulated by ß-cyclodextrin: insight into the binding mechanism.
Phys Chem Chem Phys
; 25(20): 13923-13932, 2023 May 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-37184134
3.
Evaluating the impact of Hartree-Fock exact exchange on the performance of global hybrid functionals for the vertical excited-state energies of fused-ring electron acceptors using TD-DFT.
Phys Chem Chem Phys
; 24(35): 21270-21282, 2022 Sep 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-36043262
4.
Synthesis, in Vitro Cholinesterase Inhibition, Molecular Docking, DFT, and ADME Studies of Novel 1,3,4-Oxadiazole-2-Thiol Derivatives.
Chem Biodivers
; 19(8): e202200157, 2022 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-35767725
5.
Evaluating the nature of the vertical excited states of fused-ring electron acceptors using TD-DFT and density-based charge transfer.
Phys Chem Chem Phys
; 23(28): 15282-15291, 2021 Jul 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-34250997
6.
TD-DFT benchmark for UV-visible spectra of fused-ring electron acceptors using global and range-separated hybrids.
Phys Chem Chem Phys
; 22(15): 7864-7874, 2020 Apr 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-32227033
7.
Organocatalyzed Solvent Free and Efficient Synthesis of 2,4,5-Trisubstituted Imidazoles as Potential Acetylcholinesterase Inhibitors for Alzheimer's Disease.
Chem Biodivers
; 17(3): e1900493, 2020 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-31968151
8.
Synthesis and evaluation of a novel 'off-on' chemical sensor based on rhodamine B and the 2,5-pyrrolidinedione moiety for selective discrimination of glutathione and its bioimaging in living cells.
Bioorg Med Chem
; 26(8): 1823-1831, 2018 05 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-29500129
9.
Selenium-substituted polymers for improved photovoltaic performance.
Phys Chem Chem Phys
; 18(11): 7978-86, 2016 Mar 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-26956780
10.
Synthesis and evaluation of a new Rhodamine B and Di(2-picolyl)amine conjugate as a highly sensitive and selective chemosensor for Al3+ and its application in living-cell imaging.
Bioorg Med Chem
; 23(4): 694-702, 2015 Feb 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-25614113
11.
A new Rhodamine B-based 'on-off' chemical sensor with high selectivity and sensitivity toward Fe(3+) and its imaging in living cells.
Bioorg Med Chem
; 22(17): 4826-35, 2014 Sep 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-25065941
12.
RBAP, a rhodamine B-based derivative: synthesis, crystal structure analysis, molecular simulation, and its application as a selective fluorescent chemical sensor for Sn2+.
Molecules
; 19(6): 7817-31, 2014 Jun 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-24962388
13.
Exploring the thermal decomposition and detonation mechanisms of 2,4-dinitroanisole by TG-FTIR-MS and molecular simulations.
RSC Adv
; 14(16): 11429-11442, 2024 Apr 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-38595715
14.
A single-wavelength excited NIR fluorescence probe for distinguishing GSH/H2S and Cys/Hcy in living cells and zebrafish through separated dual-channels.
Talanta
; 254: 124153, 2023 Mar 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-36493568
15.
Tandem CuAAC/Ring Cleavage/[4 + 2] Annulation Reaction to Synthesize Dihydrooxazines and Conversion to 2-Aminopyrimidines.
Org Lett
; 24(1): 457-461, 2022 Jan 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-34935394
16.
Enhanced mechanical properties and biocompatibility on BC/HAp composite through calcium gluconate fortified bacterial.
Carbohydr Polym
; 281: 119085, 2022 Apr 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-35074101
17.
Oxygen vacancy mediated single unit cell Bi2WO6 by Ti doping for ameliorated photocatalytic performance.
J Colloid Interface Sci
; 581(Pt A): 276-291, 2021 Jan 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-32771738
18.
A computational study of the phosphorylation mechanism of the insulin receptor tyrosine kinase.
J Phys Chem A
; 113(17): 5144-50, 2009 Apr 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-19334696
19.
Variable atomic radii for continuum-solvent electrostatics calculation.
J Chem Phys
; 129(1): 014509, 2008 Jul 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-18624485
20.
Metal-to-Ligand Charge-Transfer-based Visual Detection of Alkaline Phosphatase Activity.
Anal Sci
; 34(3): 341-347, 2018.
Artículo
en Inglés
| MEDLINE | ID: mdl-29526903