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Showing 1 to 12 of 17 entries
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Hydrogen adsorption and diffusion around Si(0 0 1)/Si(1 1 0) corners in nanostructures.

Journal of physics. Condensed matter : an Institute of Physics journal

Smith R, Brázdová V, Bowler DR.
PMID: 24957137
J Phys Condens Matter. 2014 Jul 23;26(29):295301. doi: 10.1088/0953-8984/26/29/295301. Epub 2014 Jun 24.

While the diffusion of hydrogen on silicon surfaces has been relatively well characterized, both experimentally and theoretically, diffusion around corners between surfaces, as will be found on nanowires and nanostructures, has not been studied. Motivated by nanostructure fabrication by...

Novel Viruses That Lyse Plant and Human Strains of .

Viruses

Petrzik K, Brázdová S, Krawczyk K.
PMID: 34452284
Viruses. 2021 Jul 21;13(8). doi: 10.3390/v13081418.

No abstract available.

Fast Exfoliation and Functionalisation of Two-Dimensional Crystalline Carbon Nitride by Framework Charging.

Angewandte Chemie (International ed. in English)

Jia J, White ER, Clancy AJ, Rubio N, Suter T, Miller TS, McColl K, McMillan PF, Brázdová V, Corà F, Howard CA, Law RV, Mattevi C, Shaffer MSP.
PMID: 30095209
Angew Chem Int Ed Engl. 2018 Sep 24;57(39):12656-12660. doi: 10.1002/anie.201800875. Epub 2018 Aug 29.

Two-dimensional (2D) layered graphitic carbon nitride (gCN) nanosheets offer intriguing electronic and chemical properties. However, the exfoliation and functionalisation of gCN for specific applications remain challenging. We report a scalable one-pot reductive method to produce solutions of single- and...

Site-dependent ambipolar charge states induced by group V atoms in a silicon surface.

ACS nano

Studer P, Brázdová V, Schofield SR, Bowler DR, Hirjibehedin CF, Curson NJ.
PMID: 23186379
ACS Nano. 2012 Dec 21;6(12):10456-62. doi: 10.1021/nn3039484. Epub 2012 Nov 27.

We report that solitary bismuth and antimony atoms, incorporated at Si(111) surfaces, induce either positive or negative charge states depending on the site of the surface reconstruction in which they are located. This is in stark contrast to the...

Vanadium oxides on aluminum oxide supports. 2. Structure, vibrational properties, and reducibility of V2O5 clusters on alpha-Al2O3(0001).

The journal of physical chemistry. B

Brázdová V, Ganduglia-Pirovano MV, Sauer J.
PMID: 16375328
J Phys Chem B. 2005 Dec 15;109(49):23532-42. doi: 10.1021/jp0539167.

The structure, stability, and vibrational properties of isolated V2O5 clusters on the Al2O3(0001) surface have been studied by density functional theory and statistical thermodynamics. The most stable structure does not possess vanadyl oxygen atoms. The positions of the oxygen...

Prediction of Vertebral Fractures by Trabecular Bone Score in Patients With Ankylosing Spondylitis.

Physiological research

Killinger Z, Kužma M, Tomková S, Brázdilová K, Jackuliak P, Payer J.
PMID: 34918529
Physiol Res. 2021 Nov 30;70:S53-S60. doi: 10.33549/physiolres.934774.

Ankylosing spondylarthritis (AS) is associated falsely increased lumbar spine bone mineral density (BMD). New tool for discrimination of subjects at fracture risk is needed. Vertebral fracture (VF) prediction of routine methods for osteoporosis assessment, BMD and trabecular bone score...

Novel 1,3,5-Triazinyl Aminobenzenesulfonamides Incorporating Aminoalcohol, Aminochalcone and Aminostilbene Structural Motifs as Potent Anti-VRE Agents, and Carbonic Anhydrases I, II, VII, IX, and XII Inhibitors.

International journal of molecular sciences

Havránková E, Garaj V, Mascaretti Š, Angeli A, Soldánová Z, Kemka M, Motyčka J, Brázdová M, Csöllei J, Jampílek J, Supuran CT.
PMID: 35008657
Int J Mol Sci. 2021 Dec 26;23(1). doi: 10.3390/ijms23010231.

A series of 1,3,5-triazinyl aminobenzenesulfonamides substituted by aminoalcohol, aminostilbene, and aminochalcone structural motifs was synthesized as potential human carbonic anhydrase (hCA) inhibitors. The compounds were evaluated on their inhibition of tumor-associated hCA IX and hCA XII, hCA VII isoenzyme...

Crystal structure and vibrational spectra of AlVO4. A DFT study.

The journal of physical chemistry. B

Brázdová V, Ganduglia-Pirovano MV, Sauer J.
PMID: 16851028
J Phys Chem B. 2005 Jan 13;109(1):394-400. doi: 10.1021/jp046055v.

We present periodic density functional calculations within the generalized gradient approximation (Perdew-Wang 91) on structure and vibrational properties of bulk AlVO(4). The optimized structure agrees well with crystallographic data obtained by Rietveld refinement (the mean absolute deviation of bond...

Azidophenyl as a click-transformable redox label of DNA suitable for electrochemical detection of DNA-protein interactions.

Chemical science

Balintová J, Špaček J, Pohl R, Brázdová M, Havran L, Fojta M, Hocek M.
PMID: 28970873
Chem Sci. 2015 Jan 01;6(1):575-587. doi: 10.1039/c4sc01906g. Epub 2014 Sep 16.

New redox labelling of DNA by an azido group which can be chemically transformed to nitrophenyltriazole or silenced to phenyltriazole was developed and applied to the electrochemical detection of DNA-protein interactions. 5-(4-Azidophenyl)-2'-deoxycytidine and 7-(4-azidophenyl)-7-deaza-2'-deoxyadenosine nucleosides were prepared by aqueous-phase...

Novel Viruses That Lyse Plant and Human Strains of .

Viruses

Petrzik K, Brázdová S, Krawczyk K.
PMID: 34452284
Viruses. 2021 Jul 21;13(8). doi: 10.3390/v13081418.

No abstract available.

H atom adsorption and diffusion on Si(110)-(1×1) and (2×1) surfaces.

Physical chemistry chemical physics : PCCP

Brázdová V, Bowler DR.
PMID: 21556409
Phys Chem Chem Phys. 2011 Jun 21;13(23):11367-72. doi: 10.1039/c1cp20108e. Epub 2011 May 10.

We present a periodic density-functional study of hydrogen adsorption and diffusion on the Si(110)-(1×1) and (2×1) surfaces, and identify a local reconstruction that stabilizes the clean Si(110)-(1×1) by 0.51 eV. Hydrogen saturates the dangling bonds of surface Si atoms...

Organic molecules on inorganic surfaces.

Journal of physics. Condensed matter : an Institute of Physics journal

Schofield SR, Brázdová V.
PMID: 25413973
J Phys Condens Matter. 2015 Feb 11;27(5):050301. doi: 10.1088/0953-8984/27/5/050301. Epub 2014 Nov 21.

No abstract available.

Showing 1 to 12 of 17 entries