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231224s2014 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.4064
|2 doi
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|a pubmed25n0788.xml
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|e rakwb
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|a eng
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|a Wałęsa, Roksana
|e verfasserin
|4 aut
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|a Experimental and theoretical NMR studies of interaction between phenylalanine derivative and egg yolk lecithin
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|c 2014
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 17.04.2015
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|a Date Revised 12.05.2014
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a Copyright © 2014 John Wiley & Sons, Ltd.
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|a The interaction of phenylalanine diamide (Ac-Phe-NHMe) with egg yolk lecithin (EYL) in chloroform was studied by (1)H and (13)C NMR. Six complexes EYL-Ac-Phe-NHMe, stabilized by N-H···O or/and C-H···O hydrogen bonds, were optimized at M06-2X/6-31G(d,p) level. The assignment of EYL and Ac-Phe-NHMe NMR signals was supported using GIAO (gauge including atomic orbital) NMR calculations at VSXC and B3LYP level of theory combined with STO-3Gmag basis set. Results of our study indicate that the interaction of peptides with lecithin occurs mainly in the polar 'head' of the lecithin. Additionally, the most probable lecithin site of H-bond interaction with Ac-Phe-NHMe is the negatively charged oxygen in phosphate group that acts as proton acceptor
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a DFT
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|a NMR
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|a hydrogen bond
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|a intermolecular interactions
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|a lecithin
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|a peptide
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|a Lecithins
|2 NLM
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|a Phenylalanine
|2 NLM
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|a 47E5O17Y3R
|2 NLM
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|a Ptak, Tomasz
|e verfasserin
|4 aut
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|a Siodłak, Dawid
|e verfasserin
|4 aut
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|a Kupka, Teobald
|e verfasserin
|4 aut
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|a Broda, Małgorzata A
|e verfasserin
|4 aut
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 52(2014), 6 vom: 17. Juni, Seite 298-305
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnas
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| 773 |
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|g volume:52
|g year:2014
|g number:6
|g day:17
|g month:06
|g pages:298-305
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|u http://dx.doi.org/10.1002/mrc.4064
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