https://hdl.handle.net/1721.1/65422 Sat, 11 Apr 2026 21:04:00 GMT 2026-04-11T21:04:00Z https://hdl.handle.net/1721.1/96430 Coherent two-dimensional infrared spectroscopy: Quantitative analysis of protein secondary structure in solution Tokmakoff, Andrei; Jones, Kevin C.; Reppert, Mike E.; Peng, Chunte Sam; Baiz, Carlos R. We present a method to quantitatively determine the secondary structure composition of globular proteins using coherent two-dimensional infrared (2DIR) spectroscopy of backbone amide I vibrations (1550–1720 cm−1). Sixteen proteins with known crystal structures were used to construct a library of 2DIR spectra, and the fraction of residues in α-helix, β-sheet, and unassigned conformations was determined by singular value decomposition (SVD) of the measured two-dimensional spectra. The method was benchmarked by removing each individual protein from the set and comparing the composition extracted from 2DIR against the composition determined from the crystal structures. To highlight the increased structural content extracted from 2DIR spectra a similar analysis was also carried out using conventional infrared absorption of the proteins in the library. Thu, 01 Mar 2012 00:00:00 GMT https://hdl.handle.net/1721.1/96430 2012-03-01T00:00:00Z https://hdl.handle.net/1721.1/65584 Proceedings of the Fourteenth International Conference on Time-Resolved Vibrational Spectroscopy (TRVS XIV) Tokmakoff, Andrei Abstracts of presentations made at the Fourteenth International Conference on Time-Resolved Vibrational Spectroscopy (TRVS XIV) held May 9-14, 2009 in Meredith, New Hampshire. TRVS is a series of biennial conferences covering the use of advanced vibrational spectroscopy for the use of studying time-dependent molecular processes in chemistry, physics and biology. The topics of the conference included: (1) Dynamics of liquids, solids, interfaces, and nanostructured materials; (2) TRVS in molecular biophysics and photobiology; (3) Chemical, vibrational, and hydrogen bonding dynamics; (4) Proton and electron transfer studies for energy conversion and storage; (5) Multidimensional vibrational spectroscopy: IR, Raman, and THz; (6) Single molecule vibrational spectroscopy; (7)Theoretical and computational spectroscopy. The proceedings were edited by conference chair Andrei Tokmakoff, and published with the assistance of Anne Hudson, Krupa Ramasesha, and Rebecca Nicodemus. Presenters of oral and poster presentations: Andresen, E.R.; Anna, J.; Arnold, S.; Asbury, J.B.; Backus, E.; Baiz, C.; Bakker, H.J.; Bakulin, A.; Bakulin, A.A.; Banno, M.; Barth, A.; Benderskii, A.V.; Bonn, M.; Borguet, E.; Buckup, T.; Cho, M.; Dexheimer, S.L.; Di Donato, M.; Ding, F.; Dlott, D.D.; Eisenthal, K.B.; Elsaesser, T.; Fayer, M.D.; Frischkorn, C.; Ganim, Z.; Garrett-Roe, S.; Gerwert, K.; Ghosh, H.N.; Gorbikova, E.; Gruenbaum, S.; Guo, R.; Hamaguchi, H.; Haran, G.; Harris, C.B.; Hauser, K.; Hayes, P.; Helbing, J.; Hochstrasser, R. M.;Hunt, N.T.;Hwang, H.; Ismael, H.; Iwata, K.; Jansen, T.L.C.; Jones, K.; Kano, H.; Kasyanenko, V.; Keating, C.; Khalil, M.; Konek, C.; Kotani, A.; Kubarych, K.J.; Laage, D.; Lang, B.; Lessing, J.; Lian, T.; Lin, Y.-S.; Lin, Z.; Liu, M.; Lu, H.P.; Lynch, M.; Massari, A.; Mazur, K.; McCammant, D.; McCanne, R.; McGrane, S.; Mizuno, M.; Mizutani, Y.; Nelson, K.A.; Nergrerie, M.; Neumann, K.; Nibbering, E.T.J.; Nicodemus, R.; Ogilvie, J.; Okajima, H.; Ono, J.; Owrutsky, J.; Paarmann, A.; Panman, M.; Petersen, P.B.; Piatkowski, L.; Pshenichnikov, M.; Ramasesha, K.; Regner, N.; Righini, R.; Roberts, S.R.; Ruhman, S.; Shaw, D.; Shilov, S.; Shimada, R.; Skinner, J.; Solnstev, K.; Stahl, A.; Stirnemann, G.; Tahara, T.; Tayama, J.; Timmer, R.; Tominaga, K.;Tomonori, N.; Torii, H.; Turton, D.; Van Duyne, R.P.; van Thor, JJ ;Vohringer, P.; Vohringer, P.; Watanabe, K.; Werncke, W.; Wilson, K.; Woys, A.M.; Wynne, K.; Xie, X.S.; Yamaguchi, S.; Yoshida, K.; Yoshizawa, M.; Zanni, M.; Ziegler, L. Wed, 31 Aug 2011 00:00:00 GMT https://hdl.handle.net/1721.1/65584 2011-08-31T00:00:00Z