Search details
1.
Structural Studies of Monounsaturated and ω-3 Polyunsaturated Free Fatty Acids in Solution with the Combined Use οf NMR and DFT Calculations-Comparison with the Liquid State.
Molecules
; 28(16)2023 Aug 20.
Article
in English
| MEDLINE | ID: mdl-37630396
2.
Molecular Basis for the Selectivity of DHA and EPA in Sudlow's Drug Binding Sites in Human Serum Albumin with the Combined Use of NMR and Docking Calculations.
Molecules
; 28(9)2023 Apr 26.
Article
in English
| MEDLINE | ID: mdl-37175134
3.
NMR and Docking Calculations Reveal Novel Atomistic Selectivity of a Synthetic High-Affinity Free Fatty Acid vs. Free Fatty Acids in Sudlow's Drug Binding Sites in Human Serum Albumin.
Molecules
; 28(24)2023 Dec 07.
Article
in English
| MEDLINE | ID: mdl-38138481
4.
Density functional theory calculations of δ(13 C) and δ(1 H) chemical shifts and 3 J(13 COO1 H) coupling constants as structural and analytical tools in hydroperoxides: Prospects and limitations of 1 H13 C heteronuclear multiple bond correlation experiments.
Magn Reson Chem
; 60(10): 970-984, 2022 10.
Article
in English
| MEDLINE | ID: mdl-35830967
5.
Analytical and Structural Tools of Lipid Hydroperoxides: Present State and Future Perspectives.
Molecules
; 27(7)2022 Mar 25.
Article
in English
| MEDLINE | ID: mdl-35408537
6.
Structural Basis of Artemisinin Binding Sites in Serum Albumin with the Combined Use of NMR and Docking Calculations.
Molecules
; 27(18)2022 Sep 12.
Article
in English
| MEDLINE | ID: mdl-36144648
7.
On the molecular basis of H2O/DMSO eutectic mixtures by using phenol compounds as molecular sensors: a combined NMR and DFT study.
Phys Chem Chem Phys
; 23(29): 15645-15658, 2021 Aug 07.
Article
in English
| MEDLINE | ID: mdl-34268541
8.
Characterization of Protocatechuate 4,5-Dioxygenase from Pseudarthrobacter phenanthrenivorans Sphe3 and In Situ Reaction Monitoring in the NMR Tube.
Int J Mol Sci
; 22(17)2021 Sep 06.
Article
in English
| MEDLINE | ID: mdl-34502555
9.
DFT Calculations of 1H NMR Chemical Shifts of Geometric Isomers of Conjugated Linolenic Acids, Hexadecatrienyl Pheromones, and Model Triene-Containing Compounds: Structures in Solution and Revision of NMR Assignments.
Molecules
; 26(11)2021 Jun 07.
Article
in English
| MEDLINE | ID: mdl-34200468
10.
Simultaneous determination of artemisinin and its analogs and flavonoids in Artemisia annua crude extracts with the use of NMR spectroscopy.
Magn Reson Chem
; 58(3): 232-244, 2020 03.
Article
in English
| MEDLINE | ID: mdl-31733071
11.
NMR and Computational Studies as Analytical and High-Resolution Structural Tool for Complex Hydroperoxides and Diastereomeric Endo-Hydroperoxides of Fatty Acids in Solution-Exemplified by Methyl Linolenate.
Molecules
; 25(21)2020 Oct 23.
Article
in English
| MEDLINE | ID: mdl-33113947
12.
DFT Calculations of 1H- and 13C-NMR Chemical Shifts of Geometric Isomers of Conjugated Linoleic Acid (18:2 ω-7) and Model Compounds in Solution.
Molecules
; 25(16)2020 Aug 11.
Article
in English
| MEDLINE | ID: mdl-32796664
13.
1 H-13 C HMBC NMR experiments as a structural and analytical tool for the characterization of elusive trans/cis hydroperoxide isomers from oxidized unsaturated fatty acids in solution.
Magn Reson Chem
; 57(4): S69-S74, 2019 04.
Article
in English
| MEDLINE | ID: mdl-30702165
14.
Solvent-Dependent Structures of Natural Products Based on the Combined Use of DFT Calculations and 1H-NMR Chemical Shifts.
Molecules
; 24(12)2019 Jun 20.
Article
in English
| MEDLINE | ID: mdl-31226776
15.
Valorization of Carob Fruit Residues for the Preparation of Novel Bi-Functional Polyphenolic Coating for Food Packaging Applications.
Molecules
; 24(17)2019 Aug 30.
Article
in English
| MEDLINE | ID: mdl-31480264
16.
NMR-Based Μetabolomics of the Lipid Fraction of Organic and Conventional Bovine Milk.
Molecules
; 24(6)2019 Mar 18.
Article
in English
| MEDLINE | ID: mdl-30889921
17.
Enriching the biological space of natural products and charting drug metabolites, through real time biotransformation monitoring: The NMR tube bioreactor.
Biochim Biophys Acta Gen Subj
; 1862(1): 1-8, 2018 Jan.
Article
in English
| MEDLINE | ID: mdl-28974426
18.
Exploring the oxidation and iron binding profile of a cyclodextrin encapsulated quercetin complex unveiled a controlled complex dissociation through a chemical stimulus.
Biochim Biophys Acta Gen Subj
; 1862(9): 1913-1924, 2018 09.
Article
in English
| MEDLINE | ID: mdl-29886278
19.
PRESS: PRotEin S-Sulfenylation server.
Bioinformatics
; 32(17): 2710-2, 2016 09 01.
Article
in English
| MEDLINE | ID: mdl-27187205
20.
Refinement of labile hydrogen positions based on DFT calculations of 1H NMR chemical shifts: comparison with X-ray and neutron diffraction methods.
Org Biomol Chem
; 15(21): 4655-4666, 2017 May 31.
Article
in English
| MEDLINE | ID: mdl-28513720