"1"^^ . "Isotope-edited IR spectroscopy was used to study a series of singly and doubly 13C=O-labeled b-hairpin peptides stabilized by an Aib-Gly turn sequence. The double-labeled peptides have amide I' IR spectra that show different degrees of vibrational coupling between the 13C-labeled amides due to variations in local geometry of the peptide structure. The single-labeled peptides provide controls to determine frequencies characteristic of the diagonal force field (FF) contributions at each position for the uncoupled 13C=O modes. Separation of diagonal FF and coupling effects on the spectra are used to explain the cross-strand labeled spectral patterns. DFT calculations based on an idealized model b-hairpin peptide correctly predict the vibrational coupling patterns. Extending these model results by consideration of frayed ends and the hairpin conformational flexibility yields an alternate interpretation of details of the spectra. Temperature-dependent isotopically labeled IR spectra reveal differenc" . "Cross-Strand Coupling of a b-Hairpin Peptide Stabilized with an Aib-Gly Turn Studied Using Isotope-Edited IR Spectroscopy" . "Etienne, Marcus A." . "Mezivl\u00E1knov\u00E9 interakce b-vl\u00E1senkov\u00FDch peptid\u016F stabilizovan\u00E9 p\u0159\u00EDtomnost\u00ED Aib-Gly ohybu studovan\u00E9 infra\u010Dervenou spektroskopi\u00ED izotopicky zna\u010Den\u00FDch l\u00E1tek"@cs . "Cross-Strand Coupling of a b-Hairpin Peptide Stabilized with an Aib-Gly Turn Studied Using Isotope-Edited IR Spectroscopy" . "Hammer, Robert P." . "Infra\u010Derven\u00E1 spektroskopie byla pou\u017Eita ke studiu s\u00E9rie mono- a di-izotopicky 13C=O zna\u010Den\u00FDch b-vl\u00E1senkov\u00FDch peptid\u016F stabilizovan\u00FDch Aib-Gly ohybem. I\u010C spektra di-izotopicky zna\u010Den\u00FDch peptid\u016F vykazuj\u00ED v oblasti amide I' rozd\u00EDlnou m\u00EDru vibra\u010Dn\u00EDho sp\u0159a\u017Een\u00ED mezi 13C-zna\u010Den\u00FDmi amidy, co\u017E je zp\u016Fsobeno odli\u0161nostmi v lok\u00E1ln\u00ED geometrii peptidov\u00E9 struktury. Mono-zna\u010Den\u00E9 peptidy p\u0159edstavuj\u00ED markery k ur\u010Den\u00ED frekvenc\u00ED charakteristick\u00FDch p\u0159\u00EDsp\u011Bvk\u016F diagon\u00E1ln\u00EDho silov\u00E9ho pole (FF) nesp\u0159a\u017Een\u00FDch 13C=O mod\u016F. Vliv separace diagon\u00E1ln\u00EDho FF a sp\u0159a\u017En\u00FDch efekt\u016F na spektra byl pou\u017Eit k vysv\u011Btlen\u00ED spekter mezivl\u00E1knov\u011B v\u00E1zan\u00FDch peptid\u016F. DFT v\u00FDpo\u010Dty zalo\u017Een\u00E9 na idealizovan\u00E9m modelu b-vl\u00E1senkov\u00E9 struktury korektn\u011B predikuj\u00ED spektr\u00E1ln\u00ED p\u00E1sy. Roz\u0161\u00ED\u0159en\u00ED t\u011Bchto modelov\u00FDch v\u00FDsledk\u016F s ohledem na fixovan\u00E9 konce peptidick\u00FDch struktur a konforma\u010Dn\u00ED flexibilitu vede k alternativn\u00EDmu zp\u016Fsobu interpretace jemn\u00FDch detail\u016F ve spektrech. Teplotn\u011B z\u00E1visl\u00E9 I\u010C studie izotopicky zna\u010Den\u00FDch peptid\u016F odhalily rozd\u00EDly v teplotn\u00ED stabil"@cs . . . "Huang, Rong" . . "Keiderling, Timothy A." . "Isotope-edited IR spectroscopy was used to study a series of singly and doubly 13C=O-labeled b-hairpin peptides stabilized by an Aib-Gly turn sequence. The double-labeled peptides have amide I' IR spectra that show different degrees of vibrational coupling between the 13C-labeled amides due to variations in local geometry of the peptide structure. The single-labeled peptides provide controls to determine frequencies characteristic of the diagonal force field (FF) contributions at each position for the uncoupled 13C=O modes. Separation of diagonal FF and coupling effects on the spectra are used to explain the cross-strand labeled spectral patterns. DFT calculations based on an idealized model b-hairpin peptide correctly predict the vibrational coupling patterns. Extending these model results by consideration of frayed ends and the hairpin conformational flexibility yields an alternate interpretation of details of the spectra. Temperature-dependent isotopically labeled IR spectra reveal differenc"@en . "[905884C90AE0]" . . . "7"^^ . "RIV/60461373:22340/07:00019315" . "Setni\u010Dka, Vladim\u00EDr" . "0002-7863" . "12"^^ . "Cross-Strand Coupling of a b-Hairpin Peptide Stabilized with an Aib-Gly Turn Studied Using Isotope-Edited IR Spectroscopy"@en . "S" . "RIV/60461373:22340/07:00019315!RIV08-MSM-22340___" . "Mezivl\u00E1knov\u00E9 interakce b-vl\u00E1senkov\u00FDch peptid\u016F stabilizovan\u00E9 p\u0159\u00EDtomnost\u00ED Aib-Gly ohybu studovan\u00E9 infra\u010Dervenou spektroskopi\u00ED izotopicky zna\u010Den\u00FDch l\u00E1tek"@cs . . . . . "Kubelka, Jan" . "Cross-Strand Coupling of a b-Hairpin Peptide Stabilized with an Aib-Gly Turn Studied Using Isotope-Edited IR Spectroscopy"@en . "44" . . "Journal American Chem.Society" . "129" . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . "Kim, Joohyun" . "13C isotopic labeling; b-hairpin peptides; vibrational coupling; IR thermal unfolding"@en . . "22340" . "13592-13603" . . . "415336" . . .