About: Fluorescence of variously terminated nanodiamond particles: quantum chemical calculations

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Nanodiamond is a novel and promising material for in-vitro and in-vivo imaging in living cells. In this work we study (using quantum chemical calculation methods) how the various surface terminations affect conditions for fluorescence of Nitrogen-vacancy (NV) centers in nanodiamond particles. We worked with clusters containing from 35 to 86 atoms of carbon containing NV centers with different charge states of vacancies (NV- & NV0) and with different terminations: OH, H, NH2, carbonyl, carboxyl and hydroxyl groups. Systems under study were modelled by DFT based calculations using Gaussian 09 and Turbomole-5.10. program packages. Nanodiamond is a novel and promising material for in-vitro and in-vivo imaging in living cells. In this work we study (using quantum chemical calculation methods) how the various surface terminations affect conditions for fluorescence of Nitrogen-vacancy (NV) centers in nanodiamond particles. We worked with clusters containing from 35 to 86 atoms of carbon containing NV centers with different charge states of vacancies (NV- & NV0) and with different terminations: OH, H, NH2, carbonyl, carboxyl and hydroxyl groups. Systems under study were modelled by DFT based calculations using Gaussian 09 and Turbomole-5.10. program packages. (en)
Title	Fluorescence of variously terminated nanodiamond particles: quantum chemical calculations Fluorescence of variously terminated nanodiamond particles: quantum chemical calculations (en)
skos:prefLabel	Fluorescence of variously terminated nanodiamond particles: quantum chemical calculations Fluorescence of variously terminated nanodiamond particles: quantum chemical calculations (en)
skos:notation	RIV/61388955:_____/10:00348149!RIV11-GA0-61388955
http://linked.open...avai/riv/aktivita	P S Z
http://linked.open...avai/riv/aktivity	P(GA203/08/1594), P(GAP304/10/1951), P(KAN100400702), P(KAN200100801), P(KAN401770651), S, Z(AV0Z10100520), Z(AV0Z40400503), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	9
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Záliš, Stanislav Šebera, Jakub
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	259450
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/10:00348149
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	nanodiamond particles,; NV centers; luminescence; DFT (en)
http://linked.open.../riv/klicoveSlovo	luminescence DFT NV centers nanodiamond particles
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[1C9FEF179950]
http://linked.open...i/riv/nazevZdroje	Physica Status Solidi. A
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	11 (xsd:int)
http://linked.open...vavai/riv/projekt	Sensoric properties of aromatic and heterocyclic compounds with conjugated bonds Nanostructured materials for catalytic, electrocatalytic and sorption applications Bioactive Biocompatible Surfaces and Novel Nanostructured Composites for Applications to Medicine and Drug Delivery Nanoliposomes for development of recombinant vaccines and targetted immunotherapeutics Molecular nanosystems and nanodevices: electric transport properties
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	207
http://linked.open...iv/tvurceVysledku	Cígler, Petr Kratochvílová, Irena Záliš, Stanislav Šebera, Jakub Kovalenko, Alexander Ledvina, Miroslav Fendrych, František Nesladek, M. Taylor, Andrew Vlček, Jan Řezáčová, V.
http://linked.open...ain/vavai/riv/wos	000282766100007
http://linked.open...n/vavai/riv/zamer	Specific effects in condensed systems with reduced dimension and broken symmetry Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	1862-6300
number of pages	4 (xsd:int)

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