These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

140 related articles for article (PubMed ID: 21445709)

  • 1. 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]  

  • 2. 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]  

  • 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. 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]  

  • 5. 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]  

  • 6. (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]  

  • 7. 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]  

  • 8. 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]  

  • 9. 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]  

  • 10. Supramolecular synthon pattern in solid clioquinol and cloxiquine (APIs of antibacterial, antifungal, antiaging and antituberculosis drugs) studied by ³⁵Cl NQR, ¹H-¹⁷O and ¹H-¹⁴N NQDR and DFT/QTAIM.
    Latosińska JN; Latosińska M; Tomczak MA; Seliger J; Zagar V
    J Mol Model; 2011 Jul; 17(7):1781-800. PubMed ID: 21080020
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. 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]  

  • 13. 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]  

  • 14. 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]  

  • 15. 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]  

  • 16. Nature of isomerism of solid isothiourea salts, inhibitors of nitric oxide synthases, as studied by 1H-14N nuclear quadrupole double resonance, X-ray, and density functional theory/quantum theory of atoms in molecules.
    Latosińska JN; Latosińska M; Seliger J; Žagar V; Maurin JK; Kazimierczuk Z
    J Phys Chem A; 2012 Feb; 116(5):1445-63. PubMed ID: 22283980
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A systematic investigation of hydrogen-bonding effects on the 17O, 14N, and 2H nuclear quadrupole resonance parameters of anhydrous and monohydrated cytosine crystalline structures: a density functional theory study.
    Mirzaei M; Elmi F; Hadipour NL
    J Phys Chem B; 2006 Jun; 110(22):10991-6. PubMed ID: 16771352
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A Combined Experimental and Computational Study of Halogen and Hydrogen Bonding in Molecular Salts of 5-Bromocytosine.
    Aschi M; Toto Brocchi G; Portalone G
    Molecules; 2021 May; 26(11):. PubMed ID: 34070959
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Modeling H-bonding and solvent effects in the alkylation of pyrimidine bases by a prototype quinone methide: a DFT study.
    Freccero M; Di Valentin C; Sarzi-Amadè M;
    J Am Chem Soc; 2003 Mar; 125(12):3544-53. PubMed ID: 12643716
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.