255 related articles for article (PubMed ID: 26826282)
1. Polymorphism and disorder in natural active ingredients. Low and high-temperature phases of anhydrous caffeine: Spectroscopic ((1)H-(14)N NMR-NQR/(14)N NQR) and solid-state computational modelling (DFT/QTAIM/RDS) study.
Seliger J; Žagar V; Apih T; Gregorovič A; Latosińska M; Olejniczak GA; Latosińska JN
Eur J Pharm Sci; 2016 Mar; 85():18-30. PubMed ID: 26826282
[TBL] [Abstract][Full Text] [Related]
2. Topology of the interactions pattern in pharmaceutically relevant polymorphs of methylxanthines (caffeine, theobromine, and theophiline): combined experimental (¹H-¹⁴N nuclear quadrupole double resonance) and computational (DFT and Hirshfeld-based) study.
Latosińska JN; Latosińska M; Olejniczak GA; Seliger J; Žagar V
J Chem Inf Model; 2014 Sep; 54(9):2570-84. PubMed ID: 25184363
[TBL] [Abstract][Full Text] [Related]
3. Electron configuration and hydrogen-bonding pattern in several thymine and uracil analogues studied by 1H-14N NQDR and DFT/QTAIM.
Seliger J; Žagar V; Latosińska M; Latosińska JN
J Phys Chem B; 2012 Aug; 116(30):8793-804. PubMed ID: 22747063
[TBL] [Abstract][Full Text] [Related]
4. An insight into prototropism and supramolecular motifs in solid-state structures of allopurinol, hypoxanthine, xanthine, and uric acid. A ¹H-¹⁴N NQDR spectroscopy, hybrid DFT/QTAIM, and Hirshfeld surface-based study.
Latosińska JN; Latosińska M; Seliger J; Žagar V; Kazimierczuk Z
J Phys Chem B; 2014 Sep; 118(37):10837-53. PubMed ID: 25079386
[TBL] [Abstract][Full Text] [Related]
5. A systematic study on hydrogen bond interactions in sulfabenzamide: DFT calculations of the N-14, O-17, and H-2 NQR parameters.
Nozad AG; Najafi H; Meftah S; Aghazadeh M
Biophys Chem; 2009 Feb; 139(2-3):116-22. PubMed ID: 19028005
[TBL] [Abstract][Full Text] [Related]
6. Temperature variation of ultralow frequency modes and mean square displacements in solid lasamide (diuretic drug) studied by 35Cl-NQR, X-ray and DFT/QTAIM.
Latosińska JN; Latosińska M; Kasprzak J; Tomczak M; Maurin JK
J Phys Chem A; 2012 Oct; 116(42):10344-58. PubMed ID: 23020838
[TBL] [Abstract][Full Text] [Related]
7. (14)N NQR, (1)H NMR and DFT/QTAIM study of hydrogen bonding and polymorphism in selected solid 1,3,4-thiadiazole derivatives.
Seliger J; Zagar V; Latosińska JN
Phys Chem Chem Phys; 2010 Oct; 12(40):13007-19. PubMed ID: 20820552
[TBL] [Abstract][Full Text] [Related]
8. Investigation of intermolecular hydrogen bond interactions in crystalline L-cysteine by DFT calculations of the oxygen-17, nitrogen-14, and hydrogen-2 EFG tensors and AIM analysis.
Nozad AG; Meftah S; Ghasemi MH; Kiyani RA; Aghazadeh M
Biophys Chem; 2009 Apr; 141(1):49-58. PubMed ID: 19168275
[TBL] [Abstract][Full Text] [Related]
9. Conformations and intermolecular interactions pattern in solid chloroxylenol and triclosan (API of anti-infective agents and drugs). A (35)Cl NQR, (1)H-(14)N NQDR, X-ray and DFT/QTAIM study.
Latosińska JN; Latosińska M; Tomczak MA; Seliger J; Zagar V; Maurin JK
Magn Reson Chem; 2012 Feb; 50(2):89-105. PubMed ID: 22354770
[TBL] [Abstract][Full Text] [Related]
10. Density functional theory investigation of hydrogen bonding effects on the oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors of anhydrous chitosan crystalline structure.
Esrafili MD; Elmi F; Hadipour NL
J Phys Chem A; 2007 Feb; 111(5):963-70. PubMed ID: 17266238
[TBL] [Abstract][Full Text] [Related]
11. Elucidating the Role of Noncovalent Interactions in Favipiravir, a Drug Active against Various Human RNA Viruses; a
Latosińska JN; Latosińska M; Seliger J; Žagar V; Apih T; Grieb P
Molecules; 2023 Apr; 28(8):. PubMed ID: 37110542
[TBL] [Abstract][Full Text] [Related]
12. A computational NQR study on the hydrogen-bonded lattice of cytosine-5-acetic acid.
Mirzaei M; Hadipour NL
J Comput Chem; 2008 Apr; 29(5):832-8. PubMed ID: 17926341
[TBL] [Abstract][Full Text] [Related]
13. Structural study of selected polyhalogenated benzimidazoles (protein kinase CK2 inhibitors) by nuclear quadrupole double resonance, X-ray, and density functional theory.
Latosińska JN; Latosińska M; Seliger J; Zagar V; Maurin JK; Orzeszko A; Kazimierczuk Z
J Phys Chem A; 2010 Jan; 114(1):563-75. PubMed ID: 20055520
[TBL] [Abstract][Full Text] [Related]
14. A theoretical study on the characteristics of the intermolecular interactions in the active site of human androsterone sulphotransferase: DFT calculations of NQR and NMR parameters and QTAIM analysis.
Astani EK; Heshmati E; Chen CJ; Hadipour NL
J Mol Graph Model; 2016 Jul; 68():14-22. PubMed ID: 27337388
[TBL] [Abstract][Full Text] [Related]
15. Unusual case of desmotropy. Combined spectroscopy (¹H-¹⁴N NQDR) and quantum chemistry (periodic hybrid DFT/QTAIM and Hirshfeld surface-based) study of solid dacarbazine (anti-neoplastic).
Latosińska JN; Latosińska M; Seliger J; Žagar V; Burchardt DV; Derwich K
Solid State Nucl Magn Reson; 2015; 68-69():13-24. PubMed ID: 25936462
[TBL] [Abstract][Full Text] [Related]
16. ¹⁴N nuclear quadrupole resonance study of polymorphism in famotidine.
Luźnik J; Pirnat J; Jazbinšek V; Lavrič Z; Žagar V; Srčič S; Seliger J; Trontelj Z
J Pharm Sci; 2014 Sep; 103(9):2704-2709. PubMed ID: 24668530
[TBL] [Abstract][Full Text] [Related]
17. A comparative study of the hydrogen-bonding patterns and prototropism in solid 2-thiocytosine (potential antileukemic agent) and cytosine, as studied by 1H-14N NQDR and QTAIM/ DFT.
Latosińska JN; Seliger J; Zagar V; Burchardt DV
J Mol Model; 2012 Jan; 18(1):11-26. PubMed ID: 21445709
[TBL] [Abstract][Full Text] [Related]
18. Hydrogen bonding and proton transfer in cocrystals of 4,4'-bipyridyl and organic acids studied using nuclear quadrupole resonance.
Seliger J; Žagar V
Phys Chem Chem Phys; 2014 Sep; 16(34):18141-7. PubMed ID: 25052623
[TBL] [Abstract][Full Text] [Related]
19. An innovative method for the non-destructive identification of photodegradation products in solid state: 1H-14N NMR-NQR and DFT/QTAIM study of photodegradation of nifedipine (anti-hypertensive) to nitrosonifedipine (potential anti-oxidative).
Latosińska JN; Latosińska M; Seliger J; Zagar V
Eur J Pharm Sci; 2012 Aug; 47(1):97-107. PubMed ID: 22609436
[TBL] [Abstract][Full Text] [Related]
20. Hydrogen bonding and stacking pi-pi interactions in solid 6-thioguanine and 6-mercaptopurine (antileukemia and antineoplastic drugs) studied by NMR-NQR double resonance spectroscopy and density functional theory.
Latosińska JN; Seliger J; Zagar V; Burchardt DV
J Phys Chem A; 2009 Jul; 113(30):8781-90. PubMed ID: 19572681
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
