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Statements

Subject Item
n2:RIV%2F00216208%3A11320%2F12%3A10099149%21RIV13-GA0-11320___
rdf:type
skos:Concept n6:Vysledek
rdfs:seeAlso
http://www.sciencedirect.com/science/article/pii/S092420311100138X
dcterms:description
Here we present the comparison of simulations of wavenumber, intensity and bandwidth changes in VOA couplets and of classical bands analyzed by 2DCoS. This showed that Noda's rules are directly applicable to asynchronous part of 2DCoS but must be reversed for the synchronous part of 2DCoS. Thus, some of the spectral changes exhibit similar 2DCoS patterns which can be deduced from single band analogies. Nevertheless, other analogies may be misguided because several spectral events in VOA show similar patterns as very distant cases in classical bands. We also developed new data treatment of ROA spectral series based on principal component analysis (PCA). The core of the treatment lies in baseline corrections in PCA subspectra and subsequent usage of significant corrected subspectra for ROA data reconstruction. This removes spectral noise, background variations as well as unwanted distortions of the ROA baseline. Here we present the comparison of simulations of wavenumber, intensity and bandwidth changes in VOA couplets and of classical bands analyzed by 2DCoS. This showed that Noda's rules are directly applicable to asynchronous part of 2DCoS but must be reversed for the synchronous part of 2DCoS. Thus, some of the spectral changes exhibit similar 2DCoS patterns which can be deduced from single band analogies. Nevertheless, other analogies may be misguided because several spectral events in VOA show similar patterns as very distant cases in classical bands. We also developed new data treatment of ROA spectral series based on principal component analysis (PCA). The core of the treatment lies in baseline corrections in PCA subspectra and subsequent usage of significant corrected subspectra for ROA data reconstruction. This removes spectral noise, background variations as well as unwanted distortions of the ROA baseline.
dcterms:title
Two-dimensional correlation analysis of Raman optical activity - Basic rules and data treatment Two-dimensional correlation analysis of Raman optical activity - Basic rules and data treatment
skos:prefLabel
Two-dimensional correlation analysis of Raman optical activity - Basic rules and data treatment Two-dimensional correlation analysis of Raman optical activity - Basic rules and data treatment
skos:notation
RIV/00216208:11320/12:10099149!RIV13-GA0-11320___
n6:predkladatel
n7:orjk%3A11320
n3:aktivita
n12:P n12:Z
n3:aktivity
P(GAP205/10/1276), P(GP202/06/P208), Z(MSM0021620835)
n3:cisloPeriodika
May
n3:dodaniDat
n20:2013
n3:domaciTvurceVysledku
n17:1217623 n17:5618622
n3:druhVysledku
n13:J
n3:duvernostUdaju
n16:S
n3:entitaPredkladatele
n4:predkladatel
n3:idSjednocenehoVysledku
175490
n3:idVysledku
RIV/00216208:11320/12:10099149
n3:jazykVysledku
n22:eng
n3:klicovaSlova
data treatment; Noda's rules; principal component analysis; two-dimensional correlation spectroscopy; vibrational optical activity; Raman optical activity
n3:klicoveSlovo
n8:Raman%20optical%20activity n8:principal%20component%20analysis n8:vibrational%20optical%20activity n8:two-dimensional%20correlation%20spectroscopy n8:data%20treatment n8:Noda%27s%20rules
n3:kodStatuVydavatele
NL - Nizozemsko
n3:kontrolniKodProRIV
[8E3022F73D34]
n3:nazevZdroje
Vibrational Spectroscopy
n3:obor
n14:BO
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
2
n3:projekt
n11:GP202%2F06%2FP208 n11:GAP205%2F10%2F1276
n3:rokUplatneniVysledku
n20:2012
n3:svazekPeriodika
60
n3:tvurceVysledku
Kopecký, Vladimír Pazderka, Tomáš
n3:wos
000304685700036
n3:zamer
n18:MSM0021620835
s:issn
0924-2031
s:numberOfPages
7
n19:doi
10.1016/j.vibspec.2011.10.002
n21:organizacniJednotka
11320