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1.
Versatile anti-infective properties of pyrido- and dihydropyrido[2,3-d]pyrimidine-based compounds.
Bioorg Med Chem
; 90: 117376, 2023 07 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-37336083
2.
CO2 Capture by Diamines in Dry and Humid Conditions: A Theoretical Approach.
J Phys Chem A
; 127(37): 7756-7763, 2023 Sep 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-37698444
3.
Removal of Malachite Green Dye from Aqueous Solution by Catalytic Wet Oxidation Technique Using Ni/Kaolin as Catalyst.
Molecules
; 27(21)2022 Nov 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-36364350
4.
Evaluation of a new series of pyrazole derivatives as a potent epidermal growth factor receptor inhibitory activity: QSAR modeling using quantum-chemical descriptors.
J Comput Chem
; 42(32): 2306-2320, 2021 12 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-34609748
5.
Adsorption Behavior of Congo Red onto Barium-Doped ZnO Nanoparticles: Correlation between Experimental Results and DFT Calculations.
Langmuir
; 37(24): 7285-7294, 2021 Jun 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-34102848
6.
Delocalized relativistic effects, from the viewpoint of halogen bonding.
Phys Chem Chem Phys
; 23(7): 4064-4074, 2021 Feb 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-33433548
7.
p-Trifluoromethyl- and p-pentafluorothio-substituted curcuminoids of the 2,6-di[(E)-benzylidene)]cycloalkanone type: Syntheses and activities against Leishmania major and Toxoplasma gondii parasites.
Bioorg Chem
; 114: 105099, 2021 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-34174635
8.
A Dispersion Corrected DFT Investigation of the Inclusion Complexation of Dexamethasone with ß-Cyclodextrin and Molecular Docking Study of Its Potential Activity against COVID-19.
Molecules
; 26(24)2021 Dec 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-34946702
9.
DFT-D4 Insight into the Inclusion of Amphetamine and Methamphetamine in Cucurbit[7]uril: Energetic, Structural and Biosensing Properties.
Molecules
; 26(24)2021 Dec 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-34946564
10.
Spin-orbit coupling as a probe to decipher halogen bonding.
Phys Chem Chem Phys
; 20(47): 29616-29624, 2018 Dec 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-30318527
11.
Highly Selective Polypyrrole MIP-Based Gravimetric and Electrochemical Sensors for Picomolar Detection of Glyphosate.
Sensors (Basel)
; 17(11)2017 Nov 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-29120397
12.
Fingerprinting of two an acylated polyoxypregnane glycosides from Caralluma quadrangula (Forssk.) N.E.Br. using UPLC-ESI-Q-TOF and computational study.
Nat Prod Res
; 37(1): 136-140, 2023 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-34498958
13.
Evaluation of the Antiparasitic and Antifungal Activities of Synthetic Piperlongumine-Type Cinnamide Derivatives: Booster Effect by Halogen Substituents.
ChemMedChem
; 18(12): e202300132, 2023 06 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-37021847
14.
In Search of Preferential Macrocyclic Hosts for Sulfur Mustard Sensing and Recognition: A Computational Investigation through the New Composite Method r2SCAN-3c of the Key Factors Influencing the Host-Guest Interactions.
Nanomaterials (Basel)
; 12(15)2022 Jul 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-35893486
15.
Highly Selective Removal of Cationic Dyes from Wastewater by MgO Nanorods.
Nanomaterials (Basel)
; 12(6)2022 Mar 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-35335846
16.
Enhanced adsorptive removal of indigo carmine dye by bismuth oxide doped MgO based adsorbents from aqueous solution: equilibrium, kinetic and computational studies.
RSC Adv
; 12(38): 24786-24803, 2022 Aug 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-36199891
17.
An expanded halogen bonding scale using astatine.
Chem Sci
; 12(32): 10855-10861, 2021 Aug 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-34447565
18.
Structural, electronic, and energetic investigations of acrolein adsorption on B36 borophene nanosheet: a dispersion-corrected DFT insight.
J Mol Model
; 26(6): 128, 2020 May 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-32388759
19.
Structural and energetic investigation on the host/guest inclusion process of benzyl isothiocyanate into ß-cyclodextrin using dispersion-corrected DFT calculations.
Carbohydr Res
; 491: 107980, 2020 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-32199172
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