BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

195 related articles for article (PubMed ID: 21261354)

  • 1. Direct observation of the substitution effects on the hydrogen bridge dynamics in selected Schiff bases--a comparative molecular dynamics study.
    Jezierska-Mazzarello A; Panek JJ; Vuilleumier R; Koll A; Ciccotti G
    J Chem Phys; 2011 Jan; 134(3):034308. PubMed ID: 21261354
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molecular property investigations of an ortho-hydroxy Schiff base type compound with the first-principle molecular dynamics approach.
    Jezierska-Mazzarello A; Vuilleumier R; Panek JJ; Ciccotti G
    J Phys Chem B; 2010 Jan; 114(1):242-53. PubMed ID: 20017543
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Direct assessment of quantum nuclear effects on hydrogen bond strength by constrained-centroid ab initio path integral molecular dynamics.
    Walker B; Michaelides A
    J Chem Phys; 2010 Nov; 133(17):174306. PubMed ID: 21054031
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Comprehensive Empirical Model of Substitution-Influence on Hydrogen Bonding in Aromatic Schiff Bases.
    Krupka KM; Pocheć M; Panek JJ; Jezierska A
    Int J Mol Sci; 2022 Oct; 23(20):. PubMed ID: 36293296
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical NMR spectroscopic analysis of the intramolecular proton transfer mechanism in ortho-hydroxyaryl (Un-)substitued Schiff bases.
    Zarycz N; Aucar GA
    J Phys Chem A; 2008 Sep; 112(37):8767-74. PubMed ID: 18729345
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Impact of proton transfer phenomena on the electronic structure of model Schiff bases: an AIM/NBO/ELF study.
    Panek JJ; Filarowski A; Jezierska-Mazzarello A
    J Chem Phys; 2013 Oct; 139(15):154312. PubMed ID: 24160518
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Structural and spectroscopic properties of an aliphatic boronic acid studied by combination of experimental and theoretical methods.
    Cyrański MK; Jezierska A; Klimentowska P; Panek JJ; Zukowska GZ; Sporzyński A
    J Chem Phys; 2008 Mar; 128(12):124512. PubMed ID: 18376948
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A multinuclear magnetic resonance study of intramolecular hydrogen bonding in some Schiff and Schiff-Mannich bases in solution and in the solid state.
    Schilf W; Kamieñski B; Szady-Chelmieniecka A; Grech E
    Solid State Nucl Magn Reson; 2000; 18(1-4):97-105. PubMed ID: 11270745
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Spectral investigation of the intramolecular charge-transfer in some aminotriazole Schiff bases.
    Issa YM; Hassib HB; Abdelaal HE; Kenawi IM
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1364-74. PubMed ID: 21640640
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Computational analysis of the proton translocation from Asp96 to schiff base in bacteriorhodopsin.
    Sato Y; Hata M; Neya S; Hoshino T
    J Phys Chem B; 2006 Nov; 110(45):22804-12. PubMed ID: 17092031
    [TBL] [Abstract][Full Text] [Related]  

  • 11. GIAO, DFT, AIM and NBO analysis of the N-H...O intramolecular hydrogen-bond influence on the 1J(N,H) coupling constant in push-pull diaminoenones.
    Afonin AV; Ushakov IA; Vashchenko AV; Kondrashov EV; Rulev AY
    Magn Reson Chem; 2010 Sep; 48(9):661-70. PubMed ID: 20661903
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Investigations of an O-H...S hydrogen bond via Car-Parrinello and path integral molecular dynamics.
    Jezierska A; Panek JJ
    J Comput Chem; 2009 Jun; 30(8):1241-50. PubMed ID: 18988272
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Pairwise substitution effects, inter- and intramolecular hydrogen bonds in methoxyphenols and dimethoxybenzenes. Thermochemistry, calorimetry, and first-principles calculations.
    Varfolomeev MA; Abaidullina DI; Solomonov BN; Verevkin SP; Emel'yanenko VN
    J Phys Chem B; 2010 Dec; 114(49):16503-16. PubMed ID: 21086965
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Effect of cooperative hydrogen bonding in azo-hydrazone tautomerism of azo dyes.
    Ozen AS; Doruker P; Aviyente V
    J Phys Chem A; 2007 Dec; 111(51):13506-14. PubMed ID: 18052263
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Coupling of functional hydrogen bonds in pyridoxal-5'-phosphate-enzyme model systems observed by solid-state NMR spectroscopy.
    Sharif S; Schagen D; Toney MD; Limbach HH
    J Am Chem Soc; 2007 Apr; 129(14):4440-55. PubMed ID: 17371021
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Hydrogen bonding in Schiff bases--NMR, structural and experimental charge density studies.
    Makal A; Schilf W; Kamieński B; Szady-Chelmieniecka A; Grech E; Woźniak K
    Dalton Trans; 2011 Jan; 40(2):421-30. PubMed ID: 21109863
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Investigations of intramolecular hydrogen bonding in three types of Schiff bases by 2H and 3H NMR isotope effects.
    Schilf W; Bloxsidge JP; Jones JR; Lu SY
    Magn Reson Chem; 2004 Jun; 42(6):556-60. PubMed ID: 15137048
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.
    Martínez RF; Ávalos M; Babiano R; Cintas P; Jiménez JL; Light ME; Palacios JC
    Org Biomol Chem; 2011 Dec; 9(24):8268-75. PubMed ID: 22042218
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Excited-state properties and environmental effects for protonated schiff bases: a theoretical study.
    Aquino AJ; Barbatti M; Lischka H
    Chemphyschem; 2006 Oct; 7(10):2089-96. PubMed ID: 16941558
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Investigations of the very short hydrogen bond in the crystal of nitromalonamide via Car-Parrinello and path integral molecular dynamics.
    Durlak P; Mierzwicki K; Latajka Z
    J Phys Chem B; 2013 May; 117(18):5430-40. PubMed ID: 23577601
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.