The Keiderling Group
Research Papers
Refereed Research Papers in Archival Journals -- (skipped numbers are invited reviews or short papers in conference proceedings, which are listed separately at the end of this list):
2024
303. “Increased accuracy of vibrational circular dichroism calculations for isotopically labeled helical peptides”, James R. Cheeseman, Michael J. Frisch, Timothy A. Keiderling, Spectrochimica Acta Part A, 313, 124097 (2024, on-line) https://doi.org/10.1016/j.saa.2024.124097
2022
302. Highly acidic pH facilitates enamel protein self-assembly, apatite crystal growth and enamel protein interactions in the early enamel matrix, Youbin Zhang, Tianquan Jin, Weiying Zhu, Mirali Pandya, Gokul Gopinathan, Michael Allen, David Reed, Xianghong Luan, Timothy Keiderling*, Xiubei Liao*, and Thomas G.H. Diekwisch* Frontiers in Physiology (2022) Dec 8;13:1019364. doi: 10.3389/fphys.2022.1019364. eCollection 2022.
2020
299. “ Enhanced sensitivity to local dynamics in peptides by use of temperature-jump IR-spectroscopy and isotope labeling,” Scheerer, David; Chi, Heng; McElheny, Dan; Keiderling, Timothy; Hauser, Karin, Chemistry - A European Journal, 26, 3524-3534 (2020) https://doi.org/10.1002/chem.201904497
300. "Structure of condensed phase peptides : Insights from VCD / ROA techniques" Timothy A. Keiderling, Chemical Reviews120, 3381-3419 (2020) http://dx.doi.org/10.1021/acs.chemrev.9b00636.
301. “ Monitoring Peptide Tyrosine Nitration by Spectroscopic Methods”, Petr Niederhafner, Martin Šafařík, Jitka Neburková, Timothy A. Keiderling, Petr Bouř, and Jaroslav Šebestík, Amino Acids (2020-Nov.18, online)https://doi.org/10.1007/s00726-020-02911-7
2018
289. "Mini review: Instrumentation for vibrational circular dichroism spectroscopy,
still a role for dispersive instruments" Timothy A. Keiderling and Ahmed Lakhani, Chirality, 30, 238-253 (2018) DOI: 10.1002/chir.22799
290. "Role of Aromatic Crosslinks in Structure and Dynamics of Model Three-stranded β-Sheet Peptides" David Scheerer, Heng Chi, Dan McElheny, Ayesha Samer, Timothy A. Keiderling, Karin Hauser, Journal of Physical Chemistry A, 122, 543-553 (2018) DOI: 10.1021/acs.jpca.7b10190
292. “Theory of Molecular Vibrational Zeeman Effects as Measured with Circular Dichroism,” Timothy A. Keiderling and Petr Bouř, Physical Review Letters 121, Art.# 073201 (2018) DOI: 10.1103/PhysRevLett.121.073201
293. “Vibrational Circular Dichroism Sheds New Light on the Competitive Effects of Crowding and β‑Synuclein on the Fibrillation Process of α‑Synuclein” Evelien Van de Vondel, Pieter Baatsen, Roos Van Elzen, Anne-Marie Lambeir, Timothy A. Keiderling, Wouter Herrebout, Christian Johannessen, Biochemistry 57, 5989−5995 (2018)https://pubs.acs.org/doi/10.1021/acs.biochem.8b00780
294. “Focused review: Instrumentation for vibrational circular dichroism spectroscopy, Method comparison and newer developments,” Timothy A. Keiderling, Molecules (mdpi), 23, Art.# 2404 (2018), on-line, Feature Paper, 22 pp. doi:10.3390/molecules23092404
295. “Isotopically Site-Selected Dynamics of a Three-Stranded b-Sheet Peptide Detected with Temperature-Jump IR-Spectroscopy, “ David Scheerer, Heng Chi, Dan McElheny, Timothy A. Keiderling, Karin Hauser, Journal of Physical Chemistry 122, 10445-10454 (2018) http://dx.doi.org/10.1021/acs.jpcb.8b08336, , Supplementary Cover Paper
296. “Vibrational Coupling of Small Molecules with Potential Applications to Determination of Polymer Structures,” Allen Walker, Timothy A. Keiderling and Ahmed Lakhani, Chemical Educator, 23, 253–260 (2018) 10.1333/s00897182831a, chemeducator.org/bibs/0023001/23180253.html
297. “β2-Type amyloid-like fibrils of poly-L-glutamic acid convert into long highly ordered helices upon dissolution in dimethyl sulfoxide.” Sylwia Berbeć, Robert Dec, Dmitry Molodenskiy, Beata Wielgus-Kutrowska, Christian Johannessen, Agnieszka Hernik-Magoń, Fernando Tobias, Agnieszka Bzowska, Grzegorz Ścibisz, Timothy A. Keiderling, Dmitri Svergun, Wojciech Dzwolak, Journal of Physical Chemistry 122, 11895-11905 (2018) DOI: 10.1021/acs.jpcb.8b08308
2017
285.“Structural rearrangement from oligomer to fibril detected with FRET in a designed amphiphilic peptide.” Heng Chi, Timothy A. Keiderling, ChemBioChem 18, 195-205 (2017) http://dx.doi.org/10.1002/cbic.201600436
286.“Engineering a Novel Porin OmpGF Via Strand Replacement from Computational Analysis of Sequence Motif” Meishan Lin, Ge Zhang, Monifa Fahie, Leslie K. Morgan, Min Chen, Timothy A. Keiderling, Linda J. Kenny, and Jie Liang, Biochimica et Biophysica Acta (BBA) - Biomembranes 1859, 1180–1189 (2017) https://doi.org/10.1016/j.bbamem.2017.03.012
287.“Integrative temporo-spatial, mineralogic, spectroscopic and proteomic analysis of postnatal enamel development in teeth with limited growth” Mirali Pandya1, Hui Liu, Smit J. Dangaria, Weiying Zhu, Leo L. Li, Moufida Abufarwa, Shuang Pan, Roderick Davis, Stephen Guggenheim, Timothy Keiderling, Thomas G.Diekwisch, Frontiers in Physiology, Volume 8, Art.# 793 (2017) https://doi.org/10.3389/fphys.2017.00793
288.“Sensing site‐specific structural characteristics and chirality using vibrational circular dichroism of isotope labeled peptides” Timothy A. Keiderling, Chirality, 29, 763–773. (2017) DOI: 10.1002/chir.22749
2016
282. “Role of Side-chains in β–sheet Self-Assembly into Peptide Fibrils. IR and VCD Spectroscopic Studies of Glutamic Acid-Containing Peptides,” Fernando Tobias and Timothy A. Keiderling, Langmuir, 32, 4653-4661 (2016)doi.org/10.1021/acs.langmuir.6b00077
283. “Collagen-collagen interactions mediated by plant-derived proanthocyanidins: A spectroscopic and atomic force microscopy study,” Cristina M. P. Vidal, Weiying Zhu, Suresh Manohar, Berdan Aydin, Timothy A. Keiderling, Phillip B. Messersmith, Ana K. Bedran-Russo, Acta Biomaterialia, 41, 110-118 (2016) http://dx.doi.org/10.1016/j.actbio.2016.05.026
284. “Reduced and mutant lysozyme refolding with lipid vesicles. Model study of disulfide impact on equilibria and dynamics,” Weiying Zhu, Robert Silvers, Harald Schwalbe and Timothy A. Keiderling, Biochimica et Biophysica Acta (BBA)- Proteins and Proteomics, 1864,1083-92 (2016) doi: 10.1016/j.bbapap.2016.05.010
2015
280. “Dimethyl Sulfoxide Induced Destabilization and Disassembly of Various Structural Variants of Insulin Fibrils Monitored by Vibrational Circular Dichroism,” Ge Zhang, Viktoria Babenko, Wojciech Dzwolak and Timothy A. Keiderling, Biochemistry, 54, 7193−7202, (2015) DOI:10.1021/acs.biochem.5b00809
281. “Site-specific dynamics of b-sheet peptides with DPro-Gly turns probed by laser-excited temperature-jump infrared spectroscopy”, Alexander Popp, David Scheerer, Heng Chi, Timothy A. Keiderling, and Karin Hauser, ChemPhysChem (Zinth Special Issue) 17, 1273-1280 (2016) DOI: 10.1002/cphc.201501089
2014
277.”Equilibrium and Dynamic Spectroscopic Studies of the Interaction of Monomeric β-Lactoglobulin with Lipid Vesicles at Low pH” , Ge Zhang, Timothy A. Keiderling, Biochemistry 53, 3079–3087 (2014) dx.doi.org/10.1021/bi500027x
278. “Arrangement of Fibril Side Chains Studied by Molecular Dynamics and Simulated Infrared and Vibrational Circular Dichroism Spectra” Jiří Kessler, Timothy A. Keiderling and Petr Bouř, Journal of Physical Chemistry B, 118, 6937-6945 (2014)dx.doi.org/10.1021/jp502178d
279. “Effect of hydrophobic interactions on the folding mechanism of b-hairpins”, Alexander Popp, Ling Wu, Timothy A. Keiderling, and Karin Hauser, Journal of Physical Chemistry B, 118, 14234–14242 (2014) dx.doi.org/10.1021/jp506658x
2013
272. “Interaction of reduced lysozyme with surfactants. Disulfide effects on reformed structure in micelles”, Weiying Zhu and Timothy A. Keiderling, Biochimica et Biophysica Acta (BBA)- Proteins and Proteomics 1834, 593–600 (2013) DOI: 10.1016/j.bbapap.2012.11.010
274. “Infrared, VCD and Raman Spectral Simulations for b-Sheet Structures with Various Isotopic Labels, Interstrand and Stacking Arrangements using Density Functional Theory,” William R. W.Welch, Jan Kubelka, Timothy A. Keiderling, Journal of Physical Chemistry B. 117, 10343−10358 (2013) dx.doi.org/10.1021/jp4056126
275. “Structural analyses of experimental 13C edited amide I’ IR and VCD for peptide β-sheet aggregates and fibrils using DFT-based spectral simulations,” William R. W. Welch, Timothy A. Keiderling, Jan Kubelka, Journal of Physical ChemistryB. 117, 10359−10369 (2013) dx.doi.org/10.1021/jp405613r
276. “Insight into the Packing Pattern of β2 Fibrils. A Model Study of Glutamic Acid Rich Oligomers with 13C Isotopic Edited Vibrational Spectroscopy,” Heng Chi, William R. W. Welch, Jan Kubleka, Timothy A. Keiderling, BioMacromolecules, 14, 3880−3891 (2013) dx.doi.org/10.1021/bm401015f
2012
265. “Role of different β-turns in β-hairpin conformation and stability studied by optical spectroscopy,” Ling Wu, Dan McElheny, Vladimir Setnicka, Jovencio Hilario and Timothy A. Keiderling, Proteins, Structure, Function and Bioinformatics, 80, 44-60 (2012) DOI: 10.1002/prot.23140
266. “An FT-IR Study on Packing Defects in Mixed b-Aggregates of Poly(L-glutamic) and Poly(D-glutamic) Acids: A High-Pressure Rescue from a Kinetic Trap.” Yudai Yamaoki, Hiroshi Imamura, Aleksandra Fulara, Sławomir Wójcik, Łukasz Bożycki, Minoru Kato, Timothy A. Keiderling, Wojciech Dzwolak, Journal of Physical Chemistry B, 116 , 5172-5178 (2012); DOI 10.1021/jp2125685
267. “Impact of β-turn sequence on β-hairpin dynamics studied with infrared-detected temperature jump” Alexander Popp, Ling Wu, Timothy A. Keiderling and Karin Hauser, Spectroscopy: An International Journal, 27, 557-564 (2012) doi:10.1155/2012/102423
268. “Three Types of Induced Tryptophan Optical Activity Compared in Model Dipeptides: Theory and Experiment” Jana Hudecová, Jan Horníček, Miloš Buděšínský, Jaroslav Šebestík, Martin Šafařík, Ge Zhang, Timothy A. Keiderling, and Petr Bouř, Chem Phys Chem 13, 2748-2760 (2012) DOI: 10.1002/cphc.201200201
269. “Rotationally Resolved Magnetic Vibrational Circular Dichroism of the Paramagnetic Molecule NO”, Baoliang Wang, Petr Bour, Timothy A. Keiderling, Physical Chemistry and Chemical Physics (PCCP) 14, 9586–9593, (2012)DOI:10.1039/C2CP40950J
271. “On the DMSO-dissolved state of insulin: A vibrational spectroscopic study of structural disorder.” Wojciech Dzwolak, Jarosław Kalinowski , Christian Johannessen, Viktoria Babenko , Ge Zhang, Timothy A. Keiderling , Journal of Physical Chemistry B. 116, 11863−11871 (2012) dx.doi.org/10.1021/jp3062674
2011
262. “Experimental and Theoretical Spectroscopic Study of 310-Helical Peptides Using Isotopic Labeling to Evaluate Vibrational Coupling ” Ahmed Lakhani, Matteo de Poli, Anjan Roy, Marcelo Nakaema, Fernando Formaggio, Claudio Toniolo, and Timothy A. Keiderling , Journal of Physical Chemistry B 115, 6252-6264 (2011). doi.org/10.1021/jp2003134
263. “SERS Biodetection Using Gold-Silica Nanoshells and Nitrocellulose Membranes” Sandra Whaley Bishnoi, Yu-Jen Lin, Martin Tibudan, Yiming Huang, Marcelo Nakaema, Vimal Swarup, and Timothy A. Keiderling, Analytical Chemistry, 83, 4053–4060 (2011) DOI: 10.1021/ac103195e
264. “Spiral Superstructures of Amyloid-Like Fibrils of Polyglutamic Acid: An Infrared Absorption and Vibrational Circular Dichroism Study” Aleksandra Fulara, Ahmed Lakhani, Sławomir Wójcik, Hanna Nieznańska, Timothy A. Keiderling, Wojciech Dzwolak, Journal of Physical Chemistry B 115 , 11010–11016 (2011) DOI: 10.1021/jp206271e
2010
255. “Geometry and efficacy of cross-strand Trp/Trp, Trp/Tyr and Tyr/Tyr aromatic interaction in a b-hairpin peptide” Ling Wu, Dan McElheny,Takahiro Takekiyo, and Timothy A. Keiderling, Biochemistry 49, 4705-4714 (2010) DOI: 10.1021/bi100491s
256. “All-atom Molecular Dynamics (MD) Simulations of b-hairpins Stabilized by a Tight Turn; Pronounced Heterogeneous Folding Pathways,” Joohyun Kim and Timothy A. Keiderling, Journal of Physical Chemistry B, 114, 8494–8504 (2010) DOI:10.1021/jp912159t
257. “Side Chain and Flexibility Contributions to the Raman Optical Activity Spectra of a Model Cyclic Hexapeptide,” Jana Hudeková, Josef Kapitán, Vladimír Baumruk, Robert P. Hammer, Timothy A. Keiderling, and Petr Bouř, Journal of Physical Chemistry A, 114, 7642–7651(2010) DOI: 10.1021/jp104744a
258. “Comparison of isotopic substitution methods for equilibrium and T-jump infrared studies of b-hairpin peptide conformation”, Karin Hauser, Oliver Ridderbusch, Anjan Roy, Alexandra Hellerbach, Rong Huang, Timothy A. Keiderling, Journal of Physical Chemistry B, 114, 11628–11637 (2010) DOI: 10.1021/jp1028245
259. “Kinetic Studies of the Interaction of β-Lactoglobulin with Model Membranes: Stopped Flow CD/Fluorescence studies,” Ning Ge, Xiuqi Zhang and Timothy A. Keiderling, Biochemistry 49, 8831-8838 (2010) DOI: 10.1021/bi1008936
260. “Inter-residue Coupling and Equlibrium Unfolding of PPII Helical peptides. Vibrational spectra enhanced with 13C isotopic labeling,” Heng Chi, Ahmed Lakhani, Anjan Roy, Marcelo Nakaema, Timothy A. Keiderling, Journal of Physical Chemistry B, 114,12744-12753 (2010) DOI: 10.1021/jp106095q
2009
247. “Relationship between Hydrophobic Interactions and Secondary Structure Stability for Trpzip b-Hairpin Peptides”, Takahiro Takekiyo, Ling Wu, Yukihiro Yoshimura, Akio Shimizu, and Timothy A. Keiderling, Biochemistry 48, 1543-1552 (2009) DOI: 10.1021/bi8019838
248. “Cross-Strand Coupling and Site-Specific Unfolding Thermodynamics of a Trpzip b-Hairpin Peptide Using 13C Isotopic Labeling and IR Spectroscopy,” Rong Huang, Ling Wu, Dan McElheny, Petr Bour, Anjan Roy, Timothy A. Keiderling, Journal of Physical Chemistry B 113, 5661-5674 (2009) DOI: 10.1021/jp9014299
249. “Comparison of vibrational circular dichroism instruments: development of a new dispersive VCD,” Ahmed Lakhani, Petr Malon, Timothy A. Keiderling, Applied Spectroscopy, 63, 775-785 (2009) DOI 10.1366/000370209788701189
250. “A 310-Helical Pentapeptide in Water: Interplay of a,a-Disubstituted Amino Acids and the Central Residue on Structure Formation” Jia Wang, Dan McElheny, Yanwen Fu, Guangyu Li, Joohyun Kim, Zhe Zhou, Ling Wu, Timothy A. Keiderling, Robert P. Hammer, Peptide Science (Biopolymers) 92, 452-464 (2009) – cover article DOI:10.1002/bip.21258
253. “Role of tryptophan-tryptophan interactions in a Trpzip b-hairpin formation, structure and stability,” Ling Wu, Dan McElheny, Rong Huang, and Timothy A. Keiderling, Biochemistry 48, 10362-10371 (2009) DOI: 10.1021/bi901249d
254. “TD-DFT modeling of the circular dichroism for a tryptophan zipper peptide with coupled aromatic residues.” Anjan Roy, Petr Bour, Timothy A. Keiderling, Chirality, 21, E163-E171 (2009) DOI 10.1002/chir.20792
2008
238. “Tight b-turns in peptides – DFT-based study of infrared absorption and vibrational circular dichroism for various conformers” Joohyun Kim, Josef Kapitan, Ahmed Lakhani, Petr Bour and Timothy A. Keiderling, Theoretical Chemistry Accounts 119, 81-97, (2008). doi: 10.1007/s00214-006-0183-4
239. “Synthesis, Ion Complexation Study, and 3D-Structural Analysis of Peptides Based on Crown-Carrier, C α-Methyl-L-DOPA Amino Acids” Karen Wright, Rachid Anddad, Jean-Francois Lohier, Vincent Steinmetz, Michel Wakselman, Jean-Paul Mazaleyrat, Fernando Formaggio, Cristina Peggion, Marta De Zotti, Timothy A. Keiderling, Rong Huang, and Claudio Toniolo, European Journal of Organic Chemistry, 1224–1241 (2008) DOI: 10.1002/ejoc.200700917
240. “Site-Specific Relaxation Kinetics of a Tryptophan Zipper Hairpin Peptide Using Temperature-Jump IR Spectroscopy and Isotopic Labeling.” Karin Hauser, Carsten Krejtschi, Rong Huang, Ling Wu, Timothy A. Keiderling, Journal of the American Chemical Society 130, 2984-2992 (2008) DOI: 10.1021/ja074215l
241. “Time-Resolved Temperature‑Jump Infrared Spectroscopy of Peptides with well Defined Secondary Structure: A Trpzip b‑Hairpin Variant as an Example” Carsten Krejtschi, Rong Huang, Timothy A. Keiderling, Karin Hauser, Vibrational Spectroscopy, 48, 1-7 (2008) - (ICAVS-4 Special Issue) DOI:10.1016/j.vibspec.2008.01.008
242. “Vibrational spectral analysis as a test of theoretical modeling and spectral interpretation methods for a cyclic hexapeptide”, Petr Bour, Joohyun Kim, Josef Kapitan, Robert P. Hammer, Rong Huang, Ling Wu and Timothy A. Keiderling, Chirality, 20, 1104-1119 (2008) doi.org/10.1002/chir.20560
243. “First Homo-Peptides Undergoing a Reversible 310-Helix/α-Helix Transition: Critical Main-Chain Length,” Alessandro Moretto, Fernando Formaggio, Bernard Kaptein, Quirinus B. Broxterman, Ling Wu, Timothy A. Keiderling, Claudio Toniolo, Biopolymers (Peptide Science) 90, 567-574 (2008) DOI: 10.1002/bip.21016
2007
235.“Slow tert-Butyl Ester Acidolysis and Peptide 310-Helix to a-Helix Transition in HFIP Solution” Alessandro Moretto, Marco Crisma, Fernando Formaggio, Bernard Kaptein, Quirinus B. Broxterman , Timothy A. Keiderling, Claudio Toniolo, Biopolymers (Peptide Science), 88, 233-238 (2007) doi.org/10.1002/bip.20680
236. “Electrostatic and Hydrophobic Interactions Governing the Interaction and Binding of b-lactoglobulin to Membranes” Xiuqi Zhang, Ning Ge and Timothy A. Keiderling, Biochemistry 46, 5252-5260 (2007) DOI: 10.1021/bi602483p
237. “Cross-strand coupling of a b-hairpin peptide stabilized with an Aib-Gly turn using isotope-edited IR spectroscopy” Rong Huang, Vladimir Setnicka, Marcus. A. Etienne, Joohyun Kim, Jan Kubelka, Robert P. Hammer, Timothy A. Keiderling, Journal of the American Chemical Society 129, 13592 -13603 (2007) DOI: 10.1021/ja0736414
2006
232. “Lipid induced conformational switch of b-lactoglobulin: Equilibrium and kinetic studies.“ Xiuqi Zhang, T. A. Keiderling, Biochemistry 45, 8444-8452 (2006) DOI: 10.1021/bi0602967
233. “Contribution of Transition Dipole Coupling to Amide Coupling in IR Spectra of Peptide Secondary Structures,” Jan Kubelka, Joohyun Kim, Petr Bour, and Timothy A. Keiderling, Vibrational Spectroscopy (ICAVS issue) 42, 63-73 (2006) doi:10.1016/j.vibspec.2006.04.003
234. "Simulation of IR Spectra for b-hairpin peptides stabilized by an Aib-Gly turn sequence: Correlation between conformational fluctuation and vibrational coupling" Joohyun Kim, T. A. Keiderling, Journal of Physical Chemistry B 110, 23590-23602 (2006) DOI: 10.1021/jp0640575
2005
222. "Optical Spectra of Unfolded Proteins, a Partially Ordered Polymer Problem," by Qi Xu and Timothy A Keiderling, Macromolecular Symposia, 220, 17-31 (2005) DOI:10.1002/masy.200550202
223. “Ab initio modeling of amide I coupling in anti-parallel b-sheets and the effect of the 13C isotopic labeling on vibrational spectra” Petr Bour, Timothy A. Keiderling, Journal of Physical Chemistry B, 109, 5348-5357 (2005) DOI: 10.1021/jp0446837
224. “Solvent Effects on IR And VCD Spectra of Helical Peptides: Insights from Ab Initio Spectral Simulations with Explicit Water” Jan Kubelka, Rong Huang and Timothy A. Keiderling, Journal of Physical Chemistry B 109, 8231-8243 (2005) DOI:10.1021/jp0506078
225. “IR Study of Cross-Strand Coupling in a beta-Hairpin Peptide Using Isotopic Labels”, Vladimir Setnicka, Rong Huang, Catherine L. Thomas, Marcus A. Etienne, Jan Kubelka, Robert P. Hammer, Timothy A. Keiderling, D. Vidyasagar, Journal of the American Chemical Society 127, 4992-4993 (2005) DOI: 10.1021/ja043007f
226. “Characterization of serine/cysteine protease inhibitor a1-antitripsin from meconium-instilled rabbit lungs” A.M. Zagariya, R. Bhat, E. Zhabotynsky, G. Chari, S. Navale, Q. Xu,T. A. Keiderling, Journal of Cellular Biochemistry 96, 137-144 (2005) DOI 10.1002/jcb.20492
227. "Trifluoroethanol-induced Unfolding of Concanavalin A: Equilibrium and Time-resolved Optical Spectroscopic Studies", Qi Xu, Timothy A. Keiderling, Biochemistry 44, 7976-7987 (2005) DOI: 10.1021/bi050003u
228. “Vibrational spectral simulation for peptides of mixed secondary structure: Method comparisons with the trpzip model hairpin.” Petr Bour and Timothy A. Keiderling, Journal of Physical Chemistry B 109, 23687-23697 (2005) DOI:10.1021/jp054107q
229. “Isotopically labeled peptides provide site-resolved structural data with infrared spectra. Probing the structural limit of optical spectroscopy,” Timothy A. Keiderling, Rong Huang, Jan Kubelka, Petr Bour, Vladimir Setnicka, Robert P. Hammer, Marcus A. Etienne, R. A. Gangani D. Silva, Sean M. Decatur, Collections Symposium Series, 8, 42-49 (2005)—[“Biologically Active Peptides” IXth Conference, Prague, Czech Repub., Apr. 20-22, 2005] doi: 10.1135/css200508042
231. “Stop-flow kinetics studies of the interaction of surfactant, sodium dodecyl sulfate, with acid denatured cytochrome c.,” Qi Xu, T. A. Keiderling, Proteins: Structure, Function and Bioinformatics 63, 571-580 (2006) DOI: 10.1002/prot.20926
2004
214. "Structure, spectra and the effects of twisting of b-sheet peptides. A density functional theory study." Petr Bour and Timothy A. Keiderling, THEOCHEM (Journal of Molecular Structure), 675, 95-105 (2004) doi:10.1016/j.theochem.2003.12.046
215. "Empirical modeling of the peptide amide I band IR intensity in water solution," Petr Bour, Timothy A. Keiderling, Journal of Chemical Physics, 119, 11253-11262 (2003) 10.1063/1.1622384
216. “Optical Spectroscopic Differentiation of Various Equilibrium Denatured States of Horse Cytochrome-c”, Qi Xu and Timothy A. Keiderling, Biospectroscopy(Biopolymers) 73, 716-726 (2004) doi: 10.1002/bip.20011
218. "The Nature of Vibrational Coupling in Helical Peptides: An Isotope Labeling Study” by R. Huang, J. Kubelka, W. Barber-Armstrong, R. A. G. D Silva, S. M. Decatur, and T. A. Keiderling, Journal of the American Chemical Society, 126, 2346-2354 (2004) DOI: 10.1021/ja037998t
219. "The Complete Chirospectroscopic Signature of the Peptide 310 Helix in Aqueous Solution" Claudio Toniolo, Fernando Formaggio, Sabrina Tognon, Quirinus B. Broxterman, Bernard Kaptein, Rong Huang, Vladimir Setnicka, Timothy A. Keiderling, Iain H. McColl, Lutz Hecht, Laurence D. Barron, Biopolymers 75, 32-45 (2004) DOI:10.1002/bip.20109
220. "Effect of sodium dodecyl sulfate on folding and unfolding of acid denatured cytochrome c. A spectroscopic approach" Qi Xu, T. A. Keiderling, Protein Science 13, 2949-2959, (2004). doi/10.1110/ps.04827604.
221. "Induced axial chirality in the biphenyl core for the Ca-tetrasubstituted a-amino acid residue Bip and subsequent propagation of chirality in (Bip)n/Val oligopeptides" J.-P. Mazaleyrat, K. Wright, A. Gaucher, N. Toulemonde, M. Wakselman, S. Oancea, C. Peggion, F. Formaggio, V. Setnicka, T. A. Keiderling, C. Toniolo, Journal of the American Chemical Society 126; 12874-12879 (2004). DOI: 10.1021/ja040100v
2003
211. "Spectroscopic Studies of Structural Changes in Two b-Sheet Forming Peptides Show an Ensemble of Structures That Unfold Non-Cooperatively" Serguei V. Kuznetsov, Jovencio Hilario, T. A. Keiderling, Anjum Ansari, Biochemistry, 42 :4321-4332, (2003) DOI: 10.1021/bi026893k
212. " Optical spectroscopic investigations of model b-sheet hairpins in aqueous solution" Jovencio Hilario, Jan Kubelka, T. A. Keiderling, Journal of the American Chemical Society 125, 7562-7574 (2003) DOI: 10.1021/ja030039e
213. "Synthesis and conformational study of homopeptides based on (S)-Bin, a C2-symmetric binapthyl-derived Caa-disubstituted glycine with only axial chirality" J.-P. Mazaleyrat, K. Wright, A. Gaucher, M. Wakselman, S. Oancea, F. Formaggio, C. Toniolo, V. Setnicka, J. Kapitan, T. A. Keiderling, Tetrahedron Asymmetry, 14, 1879-1893 (2003) doi:10.1016/S0957-4166(03)00285-4
2002
202. “Chirality in peptide vibrations. Ab initio computational studies of length, solvation, hydrogen bond, dipole coupling and isotope effects on vibrational CD.” Jan Kubelka, Petr Bour, R. A. Gangani D. Silva, Sean M. Decatur, Timothy A. Keiderling, ACS Symposium Series 810, [Chap. 4 in "Chirality: Physical Chemistry," (Ed. Janice Hicks) American Chemical Society, Washington, DC ] 50-64, (2002). DOI: 10.1021/bk-2002-0810.ch004
203. "Spectroscopic Characterization of Selected b-Sheet Hairpin Models", J. Hilario, J. Kubelka, F. A. Syud, S. H. Gellman, and T. A. Keiderling, Biopolymers (Biospectroscopy) 67: 233-236 (2002) doi.org/10.1002/bip.10094
204. " Discrimination between peptide 310- and a-helices. Theoretical analysis of the impact of a-methyl substitution on experimental spectra " Jan Kubelka, R. A. Gangani D. Silva, and T. A. Keiderling, Journal of the American Chemical Society,124, 5325-5332 (2002) DOI: 10.1021/ja012685o
205. "Ab Initio Quantum Mechanical Models of Peptide Helices and their Vibrational Spectra" Petr Bour, Jan Kubelka and T. A. Keiderling, Biopolymers 65, 45-59 (2002) DOI:10.1002/bip.10224
206. “Pretransitional Structural Changes in the Thermal Denaturation of Ribonuclease S and S protein” Simona D. Stelea, T. A. Keiderling, Biophysical Journal 83, 2259-2269 (2002) DOI: 10.1016/S0006-3495(02)73986-6
209. " Discriminating 310- from a-helices. Vibrational and electronic CD and IR Absorption study of related Aib-contining oligopeptides " R. A. Gangani D. Silva, Sritana Yasui, Jan Kubelka, Fernando Formaggio, Marco Crisma, Claudio Toniolo, and Timothy A. Keiderling, Biopolymers 65, 229-243 (2002) DOI:10.1002/bip.10241
210. " Partial optimization of molecular geometry in normal coordinates and use as a tool for simulation of vibrational spectra" Petr Bour, T. A. Keiderling, Journal of Chemical Physics 117, 4126-4132 (2002). 10.1063/1.1498468
2001
196. “The anomalous infrared amide I intensity distribution in 13C isotopically labeled peptide b-sheets comes from extended, multiple stranded structures. An Ab Initio study.” Jan Kubelka and T. A. Keiderling , Journal of the American Chemical Society, 123, 6142-6150 (2001) Erratum: J. Am. Chem. Soc. 123, 8163 (2001) DOI: 10.1021/ja0151605
197. “Thermal unfolding of Ribonuclese A in phosphate at neutral pH: Deviations from the two-state model” Simona Stelea, Petr Pancoska, A. Steven Benight, T. A. Keiderling, Protein Science 10, 970-978 (2001) doi: 10.1110/ps.47101
199. "Polarization Modulation Fourier Transform Infrared Spectroscopy with Digital Signal Processing: Comparison of Vibrational Circular Dichroism Methods." Jovencio Hilario, David Drapcho, Raul Curbelo, Timothy A. Keiderling, Applied Spectroscopy, 55, 1435-1447 (2001)--accelerated paper -- 10.1366/0003702011953810
200. "Differentiation of b-sheet forming structures: ab initio-based simulations of IR absorption and vibrational CD for model peptide and protein b-sheets" Jan Kubelka and T. A. Keiderling, Journal of the American Chemical Society, 123, 12048-12058 (2001). DOI: 10.1021/ja0116627
201. "Ab Initio Calculation of Amide Carbonyl Stretch Vibrational Frequencies in Solution with Modified Basis Sets. I. N-Methyl Acetamide" Jan Kubelka and T. A. Keiderling, Journal of Physical Chemistry A, 105, 10922-10928 (2001) DOI:10.1021/jp013203y
2000
187. “Enhanced prediction accuracy of protein secondary structure using hydrogen exchange Fourier Transform Infrared spectroscopy” B. I. Baello, P. Pancoska, T. A. Keiderling, Analytical Biochemistry 280, 46-57 (2000) DOI:10.1006/abio.2000.4483
188. “Simulations of oligopeptide vibrational CD. Effects of isotopic labeling.” Petr Bour, Jan Kubelka,T. A. Keiderling, Biopolymers 53, 380-395 (2000) 10.1002/(SICI)1097-0282(20000415)53:5<380::AID-BIP3>3.0.CO;2-R
193. “Site specific conformational determination in thermal unfolding studies of helical peptides using vibrational circular dichroism with isotopic substitution” R. A. G. D. Silva, Jan Kubelka, Petr Bour, Sean M. Decatur, Timothy A. Keiderling, Proceedings of the National Academy of Sciences(USA) 97, 8318-8323 (2000) DOI: 10.1073/pnas.140161997
194. “Folding studies on the human chorionic gonadotropin b -subunit using optical spectroscopy of peptide fragments” R. A. G. D. Silva, S. A. Sherman, F. Perini, E. Bedows, T. A. Keiderling, Journal of the American Chemical Society, 122, 8623-8630 (2000) DOI: 10.1021/ja0013172
1999
178. “ Vibrational Circular Dichroism Spectroscopy of Selected Oligopeptide Conformations” Timothy A. Keiderling, R. A. G. D. Silva, Gorm Yoder, and Rina K. Dukor, Bioorganic and Medicinal Chemistry 7, 133-141 (1999) 10.1016/S0968-0896(98)00217-X
179. “Novel use of a static modification of two-dimensional correlation analysis. I. Comparison of the secondary structure sensitivity of electronic circular dichroism, FT-IR, and Raman spectra or proteins” P. Pancoska, J. Kubelka, T. A. Keiderling, Applied Spectroscopy, 53, 655-665 (1999) 10.1366/0003702991947306
180. “Novel use of a static modification of two-dimensional correlation analysis. II. Heterospectral correlations of protein Raman, FT-IR, and circular dichroism spectra” J. Kubelka, P. Pancoska, T. A. Keiderling, Applied Spectroscopy, 53, 666-671 (1999) DOI 10.1366/0003702991947315
181.“b -Hairpin stabilization in a 28-residue peptide derived from the b -subunit sequence of human chorionic gonadotropin hormone” R. A. G. D. Silva, Simon A. Sherman, T. A. Keiderling, Biopolymers 50, 413-423 (1999) DOI 10.1002/(SICI)1097-0282(19991005)50:4<413::AID-BIP7>3.0.CO;2-L
1998
171. “Ionic strength effect on the thermal unfolding of a-spectrin peptides” D. Lusitani, N. Menhart, T. A. Keiderling, L. W.-M. Fung, Biochemistry, 37, 16546-16554 (1998) 10.1021/bi9811462
172. " Predictions of protein secondary structures using factor analysis on Fourier transform infrared spectra: Effect of Fourier self-deconvolution of the amide I and amide II bands", Sungsool Wi, P. Pancoska, T. A. Keiderling, Biospectroscopy 4, 93-106 (1998) 10.1002/(SICI)1520-6343(1998)4:2<93::AID-BSPY2>3.0.CO;2-T
173. "The regiochemistry of reduction of mono-ethyl fumarate and maleate using a ruthenium BINAP catalyst" M. Shaharuzzamam, J. Braddock-Wilking, J. S. Chickos, C. N. Tam, R. A. G. D. Silva, T. A. Keiderling, Tetrahedron Asymmetry9, 1111-1114 (1998) 10.1016/S0957-4166(98)00075-5
177. "Novel matrix descriptor for secondary structure segments in proteins: Demonstration of predictability from circular dichroism spectra," P. Pancoska, V. Janota, T. A. Keiderling, Analytical Biochemistry 267, 72-83 (1999) 10.1006/abio.1998.2960
1997
160. "Transfer of Molecular Property Tensors in Cartesian Coordinates: A new algorithm for simulation of vibrational spectra" Petr Bour, Jana Sopkova, Lucie Bednarova, Petr Malon, T. A. Keiderling, Journal of Computational Chemistry 18, 646-659 (1997) 10.1002/(SICI)1096-987X(19970415)18:5<646::AID-JCC6>3.0.CO;2-N
163. "Theoretical simulation of a polarization modulator based on mechanically rotating a polarizing element" Petr Malon, Timothy A. Keiderling, Applied Optics 36, 6141-6148 (1997) 10.1364/AO.36.006141
164. "Multiphoton Ionization (MPI) Spectroscopy of Tungsten Hexafluoride: Experimental Observation of Molecular Bands," Sang Chun Lee and Timothy A. Keiderling, Journal of Korean Physical Society, 30, 434-439 (1997).
165. "An Experimental Comparison of Vibrational Circular Dichroism and Raman Optical Activity Using 1-amino-2-propanol and 2-amino-1-propanol as Model Compounds" Cheok N. Tam, Petr Bour and Timothy A. Keiderling, Journal of the American Chemical Society 119 7061-7064 (1997). DOI: 10.1021/ja963239h
169. "Vibrational circular dichroism spectra of proteins in the amide III region. Measurement and correlation of bandshape to secondary structure" B. I. Baello, P. Pancoska, T. A. Keiderling, Analytical Biochemistry 250, 212- 221 (1997) 10.1006/abio.1997.2221
170. "Conformational characterization of terminally blocked L-(a-Me)-Val homopeptides using vibrational and electronic circular dichroism. 310 helical stabilization by peptide-peptide interaction" Gorm Yoder, Alessandra Polese, R. A. G. D. Silva, Fernando Formaggio, Marco Crisma, Quirinus Broxterman, Johan Kamphuis, Claudio Toniolo, Timothy A. Keiderling, Journal of the American Chemical Society 119, 10278-10285 (1997) 10.1021/ja971392l
171. "Characterization of alanine rich peptides of the general formula Ac-(AAKAA)n-GY-NH2 using vibrational circular dichroism and Fourier transform IR." Gorm Yoder, P. Pancoska, T. A. Keiderling Biochemistry 36, 15123-15133 (1997) DOI:10.1021/bi971460g
1996
145. “Rotationally Resolved Magnetic Vibrational Circular Dichroism. Experimental Spectra and Theoretical Simulation for Diamagnetic Molecules.” P. Bour, C. N. Tam, B. Wang, T. A. Keiderling, Molecular Physics 87, 299-318, (1996). 10.1080/00268979600100201
146. "Observations of Rotational Magnetic Moments in the Ground and Some Excited Vibrational S States of C2H2, C2HD, and C2D2 by Magnetic Vibrational Circular Dichroism" C. N. Tam, P. Bour, T. A. Keiderling, Journal of Chemical Physics 104, 1813-1824 (1996) 10.1063/1.470978
147. "Vibrational magnetic dipole moment of acetylene in the n5 mode" P. Bour, C. N. Tam, T. A. Keiderling, Journal of Physical Chemistry 100, 2062-2065 (1996) 10.1021/jp9525548
148. "Abinitio calculation of the vibrational magnetic dipole moment" P. Bour, C. N. Tam, T. A. Keiderling, Journal of Physical Chemistry 99, 17810-17813 (1995) 0.1021/j100051a002
149. "Mutarotation studies of Poly L-Proline using FTIR, Electronic and Vibrational Circular Dichroism" R. K. Dukor, T. A. Keiderling, Biospectroscopy (Biopolymers) 2, 83-100 (1996) 10.1002/(SICI)1520-6343(1996)2:2<83::AID-BSPY2>3.0.CO;2-T
151. "Intercovertability of electronic and vibrational circular dichroism of proteins. A test of principle using neural network mapping" Petr Pancoska, Vit Janota, T. A. Keiderling, Applied Spectroscopy, 50, 658-668 (1996) 10.1366/0003702963905916
152. "Spinning Quarter wave plate polarization modulator. Test of feasibility for vibrational circular dichroism measurements" Petr Malon and T. A. Keiderling, Applied Spectroscopy 50, 669-674 (1996) 10.1366/0003702963905844
153. "Predictions of Secondary Structure using Statistical Analyses of Electronic and Vibrational Circular Dichroism and Fourier Transform Infrared Spectra of Proteins in H2O" V. Baumruk, P. Pancoska, T. A. Keiderling, Journal of Molecular Biology 259, 774-91 (1996) 10.1006/jmbi.1996.0357
154. "Protein structural segments and their interconnections derived from optical spectra. Thermal unfolding of ribonuclease T1 as an example." P. Pancoska, H. Fabian, G. Yoder, V. Baumruk, T. A. Keiderling, Biochemistry 35, 13094-13106 (1996) 10.1021/bi961178u
155. "Vibrational optical activity Study of trans-Succinic-d2 anhydride." Petr Bour, Cheok Tam, M. Shaharuzzaman, J. S. Chickos, T. A. Keiderling, Journal of Physical Chemistry 100, 15041-15048 (1996) 10.1021/jp961217b
156. "Vibrational optical activity of (3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione" C. N. Tam, P. Bour, T. A. Keiderling, Journal of the American Chemical Society 118, 10285-10293 (1996). 10.1021/ja961677i
157. "Native-Like Secondary Structure in a Peptide from the Alpha-Domain of Hen Lysozyme." Jenny J. Yang, Bert van den Berg, Maureen Pitkeathly, Lorna J. Smith, Kimberley A. Bolin, Timothy A. Keiderling, Christina Redfield, Christopher M. Dobson, and Sheena E Radford, Folding & Design, 1, 473-84, (1996) 10.1016/S1359-0278(96)00063-6
159. "Conformational study of some milk proteins. Comparison of the results of electronic circular dichroism and vibrational circular dichroism" Marie Urbanova, Timothy A. Keiderling, Petr Pancoska, Bioelectrochemistry and Bioenergetics 41, 77-80 (1996) 10.1016/0302-4598(96)01932-0
1995
137. “Helical Screw Sense of homo-oligopeptides of Ca-methylated a-amino acids as Determined with Vibrational Circular Dichroism.” G. Yoder, T. A. Keiderling, M. Crisma, F. Formaggio, C. Toniolo, J. Kamphuis, Tetrahedron Assymmetry 6, 687-690 (1995).
138. “Conformational Study of Linear Alternating and Mixed D- and L-Proline Oligomers Using Electronic and Vibrational CD and Fourier Transform IR.” W. Mästle, R. K. Dukor, G. Yoder, T. A. Keiderling, Biopolymers 36, 623-631 (1995). 10.1002/bip.360360508
140. “Observations on the measurement of Vibrational Circular Dichroism with Rapid Scan and Step Scan FTIR Techniques” B. Wang, T. A. Keiderling, Applied Spectroscopy 49, 1347-1355 (1995). 10.1366/0003702953965245
141. “Comparison and Limits of Accuracy for Statistical Analyses of Protein Vibrational and Electronic Circular Dichroism Spectra in Terms of Correlations to and Predictions of Protein Secondary Structure,” P. Pancoska, E. Bitto, V. Janota, M. Urbanova, V. P. Gupta, T. A. Keiderling, Protein Science 4, 1384-1401 (1995).
144. "Direct Measurement of the Rotational g-Value in the Ground State of Acetylene by Magnetic Vibrational Circular Dichroism." C. N. Tam and T. A. Keiderling, Chemical Physics Letters, 243, 55-58 (1995). 10.1016/0009-2614(95)00843-S
150. "A convenient synthesis of chiral succinic acid-d2 by catalytic asymmetric reduction using a ruthenium BINAP catalyst" M. Shaharuzzaman, J. S. Chickos, C. N. Tam, T. A. Keiderling, Tetrahedron Asymmetry, 6, 2929-2932, (1995) 10.1016/0957-4166(95)00389-4
1994
126. “Measurements of the Rotational and Vibrational Zeeman Effect of Methane by Magnetic Vibrational Circular Dichroism” B. Wang and T. A. Keiderling, Journal of Physical Chemistry 98 3957-3963 (1994).
127. “Detection and Characterization of Triple Helical Pyrimidine-Purine-Pyrimidine Nucleic Acids with Vibrational Circular Dichroism” L. Wang, P. Pancoska, T. A. Keiderling, Biochemistry 33 8428-8435 (1994).
128. “Conformational Study of Sequential Lys-Leu Based Polymers and Oligomers using Vibrational and Electronic Circular Dichroism Spectra” V. Baumruk, D. Huo, R. K. Dukor, T. A. Keiderling, D. LeLeivre and A. Brack, Biopolymers 34, 1115-1121 (1994).
129. “Vibrational Circular Dichroism of A-, B- and Z- form Nucleic Acids in the PO2- Stretching Region” L. Wang, L. Yang, T. A. Keiderling, Biophysical Journal 67, 2460-2467 (1994).
130. “Measurement of the Vibrational Zeeman Effect for HCF3 using Magnetic Vibrational Circular Dichroism” B. Wang and T. A. Keiderling, Journal of Chemical Physics 101, 905-911 (1994).
133. “Characterization of ß-bend ribbon spiral forming peptides using electronic and vibrational circular dichroism” G. Yoder, T. A. Keiderling, F. Formaggio, M. Crisma, C. Toniolo, Biopolymers 35, 103-111 (1995).
134. “Quantitative Analysis of Vibrational Circular Dichroism of Proteins. Problems and Perspectives” P. Pancoska, E. Bitto, V. Janota, T. A. Keiderling, Faraday Discussions 99 287-310 (1994).
135. “Empirical Studies of Protein secondary Structure with Vibrational Circular Dichroism and Related Techniques. a-Lactalbumin and Lysozyme Examples.” T. A. Keiderling, B. Wang, M. Urbanova, P. Pancoska, and R. K. Dukor, Faraday Discussions 99 263-285 (1994).
1993
102. “Vibrational Circular Dichroism Study of the Thermal Denaturation of Poly(rA)• Poly(rU).” L. Yang and T. A. Keiderling, Biopolymers 33, 315-327 (1993).
110. “Rotational Zeeman Effect in Carbon Monoxide as Determined by Magnetic Vibrational Circular Dichroism” B. Wang, T. A. Keiderling Journal of Chemical Physics 98 903-911 (1993).
111. “Rotationally Resolved Magnetic Vibrational Circular Dichroism of Hydrogen Chloride and Deuterium Chloride” C. N. Tam, T. A. Keiderling, Journal of Molecular Spectroscopy 157 391-401 (1993).
113. “Frequency Analysis of Infrared Absorption and Vibrational Circular Dichroism of Proteins in D2O Solution.” P. Pancoska, L. Wang, T. A. Keiderling, Protein Science, 2 411-419 (1993).
114. “Ab Initio Simulations of the Vibrational Circular Dichroism of Coupled Peptides” P. Bour and T. A. Keiderling, Journal of the American Chemical Society 115 9602-9607 (1993).
115. “Vibrational Circular Dichroism of Proteins in H2O Solution” V. Baumruk T. A. Keiderling, Journal American Chemical Society 115 6939-6942 (1993).
119. “Vibrational Zeeman Effect for the n4 Mode of Haloforms (HCX3). Determined by Magnetic Vibrational Circular Dichroism.” B. Wang C. N. Tam, T. A. Keiderling, Physical Review Letters 71 979-982 (1993).
120. “Helical Nature of Poly (dI-dC) • Poly (dI-dC). Vibrational Circular Dichroism Results” L. Wang and T. A. Keiderling, Nucleic Acids Research 21 4127-4132 (1993).
121. “Spectroscopic study of the temperature dependent conformation of glucoamylase” M. Urbanova, P. Pancoska T. A. Keiderling Biochemica et Biophysica Acta 1203 290-294 (1993).
122. “FTIR Studies of the Secondary Structure of Spectrin under Different Ionic Strengths” C. C. LaBrake, L. Wang, T. A. Keiderling, L. W-M Fung, Biochemistry 32 10296-10302 (1993).
123. “Zeeman Effect in T1u Symmetry Vibrational State of C60 Fullerene” M. Pawlikowski, M. Pilch, T. A. Keiderling, Chemical Physics 178 341-348 (1993).
1992
100. “Vibrational CD of the Amide II band in Some Model Polypeptides and Proteins” V. P. Gupta, T. A. Keiderling, Biopolymers 32 239-248 (1992).
101. “Magnetic Vibrational Circular Dichroism of Ammonia with Rotational Resolution.” B. Wang, P. V. Croatto, R. K. Yoo, T. A. Keiderling, Journal of Physical Chemistry, 96, 2422-2429 (1992).
103. “Vibrational Circular Dichroism Studies of the A-to-B Conformational Transition in DNA” L. Wang, T. A. Keiderling, Biochemistry 31, 10265-10271 (1992).
104. “Vibrational Circular Dichroism Study of (2S,3S)-dideuterio-butyrolactone. Synthesis, Normal Mode Analysis and Comparison of Experimental and Calculated Spectra.” P. Malon, L. J. Mickley, K. M. Sluis, C. N. Tam, T. A. Keiderling, S. Kamath, J. Y. Uang, J. S. Chickos, Journal of Physical Chemistry 96 10139-10149 (1992).
105. “Computational Evaluation of the Coupled Oscillator Model in the Vibrational Circular Dichroism of Selected Small Molecules” P. Bour, T. A. Keiderling Journal of the American Chemical Society 114, 9100-9105 (1992).
106. “Magnetic Vibrational Circular Dichroism of C60 in the 1430 and 1183 cm-1 t1u Modes” C. N. Tam, B. Wang, T. A. Keiderling, W. G. Golden, Chemical Physics Letters 198, 123-127 (1992).
107. “Relationships between Secondary Structure fractions for globular proteins. Neural network analyses of crystallographic data sets.” P. Pancoska, M. Blazek, T. A. Keiderling, Biochemistry 31 10250-10257 (1992).
108. “Vibrational Circular Dichroism Studies of Epidermal Growth Factor and Basic Fibroblast Growth Factor” R. K. Dukor, P. Pancoska, S. Prestrelski, T. Arakawa, T. A. Keiderling Archives of Biochemistry and Biophysics 298 678-681 (1992).
109. “Theoretical Analysis of Magnetic Vibrational Circular Dichroism for 1,3,5-trihalobenzene derivatives” M. Pilch, M. Pawlikowski, T. A. Keiderling Chemical Physics Letters 198 511-514 (1992).
1991
84. “A Method for Determination of the Zero Path Difference Position in a Fourier Transform Infrared Spectrometer. Application to Magnetic Vibrational Circular Dichroism.” R. K. Yoo, P. V. Croatto, B. Wang, T. A. Keiderling, Applied Spectroscopy 45, 231-236 (1991).
85. “A Study of the Catalytic Deuteration of 1,4-Butynediol” J. S. Chickos, J. Uang, T. A. Keiderling, Journal of Organic Chemistry, 56, 2594-2596 (1991).
86. “Rotationally Resolved Magnetic Vibrational Circular Dichroism of Methane.” B. Wang, R. K. Yoo, P. V. Croatto, T. A. Keiderling Chemical Physics Letters 180, 339-343 (1991).
87. “Statistical Analyses of the Vibrational Circular Dichroism of Selected Proteins and Relationship to Secondary Structures.” P. Pancoska, S. C. Yasui, T. A. Keiderling, Biochemistry 30, 5089-5103 (1991).
88. “Systematic Comparison of Statistical Analyses of Electronic and Vibrational Circular Dichroism for Secondary Structure Prediction of Selected Proteins.” P. Pancoska and T. A. Keiderling, Biochemistry 30 6885-6895 (1991).
89. “Vibrational Circular Dichroism Study of Unblocked Proline Oligomers,” R. K. Dukor, T. A. Keiderling, V. Gut, International Journal of Peptide and Protein Research, 38, 198-203 (1991).
90. “Vibrational Circular Dichroism Study of [3R, 4R]-dideuterio cyclobutane-1,2-dione. Preliminary Comparison of Experiment and Calculations.” P. Malon, T. A. Keiderling, J. Uang, J. S. Chickos, Chemical Physics Letters 179, 282-290 (1991).
96. “Comparison of a-Lactalbumin and Lysozyme using Vibrational Circular Dichroism. Evidence for a Difference in Crystal and Solution Structures.” M. Urbanova, R. K. Dukor, P. Pancoska, V. P. Gupta, T. A. Keiderling Biochemistry 30, 10479-10485 (1991).
97. “Reassessment of the Random Coil Conformation. Vibrational CD Study of Proline Oligopeptides and Related Polypeptides” R. K. Dukor and T. A. Keiderling, Biopolymers 31 1747-1761 (1991).
1990
76. “Vibrational Circular Dichroism of 1,3-d2-allene. A Calculational Study” A. Annamalai, U. Narayanan, M.-C. Tissot, T. A. Keiderling, K. Jalkanen, P. J. Stephens, Journal of Physical Chemistry 94, 194-199 (1990).
81. “Conformational Transitions of Phosvitin with pH Variation. Vibrational Circular Dichroism Study” S. C. Yasui, P. Pancoska, R. K. Dukor, T. A. Keiderling, V. Renugopalakrishnan, M. J. Glimcher, R. C. Clark, Journal of Biological Chemistry, 265 3780-3788 (1990).
82. “Interconfigurational Absorption and Two-Photon Excitation Spectra of PtCl6-2 Containing Crystals” R. K. Yoo and T. A. Keiderling, Journal of Physical Chemistry 94, 8048-8055 (1990).
83. “The Hemolysis of Erythrocytes by Singlet Oxygen Generated in the Gas Phase” T. P. Wang, J. Kagan, S. C. Lee, T. A. Keiderling, Photochemistry and Photobiology 52 753-756 (1990).
1989
75. “Enhanced Sensitivity to Conformation in Various Proteins. Vibrational Circular Dichroism Results” P. Pancoska, S. C. Yasui, T. A. Keiderling, Biochemistry 28, 5917-5923 (1989).
1988
57. “Fourier Transform Infrared Circular Dichroism and the Absorption Artifact Problem. Experimental Observations” P. Malon, T. A. Keiderling Applied Spectroscopy 42, 32-38 (1988).
61. “Vibrational Circular Dichroism of Optically Active Substituted Allenes. Experimental Results,” U. Narayanan, T. A. Keiderling, C. Elsevier, P. Vermeers, W. Runge, Journal of the American Chemical Society 110 4133-4138 (1988).
62. “Vibrational Circular Dichroism of Optically Active Substituted Allenes. Calculational Results,” U. Narayanan, T. A. Keiderling; Journal of the American Chemical Society 110, 4139-4144 (1988).
63. “Vibrational Circular Dichroism of Polypeptides XII. Re-evaluation of the Fourier Transform Vibrational Circular Dichroism of Poly-g -Benzyl-L-Glutamate,” P. Malon, R. Kobrinskaya, T. A. Keiderling, Biopolymers 27, 733-746 (1988).
67. “Vibrational Spectra of 1,3-dideuterioallene and Normal Mode Calculations for Allene,” U. Narayanan, A. Annamalai and T. A. Keiderling, Spectrochimica Acta 44A, 785-791 (1988).
68. “Magnetic Vibrational Circular Dichroism of Tetraphenylporphine and Metallotetra-phenyl Porphyrins” P. V. Croatto and T. A. Keiderling, Chemical Physics Letters 144, 455-560 (1988).
69. “Normal Coordinate Analysis of Dicyanocyclopropane,” A. A. El-Azhary, J. S. Alper, M. A. Lowe, T. A. Keiderling, Spectrochimica Acta, 44A 1315-1326 (1988).
71. “(1R,7R)-7-Methyl-6,9,-Diazatricyclo[6,3,0,01,6]Tridecanne-5,10-Dione, A Tricyclic Spirodilactam Containing Non-planar Amide Groups: Synthesis, NMR, Crystal Structure, Absolute Configuration, Electronic and Vibrational Circular Dichroism” P. Malon, C. L. Barness, M. Budesinsky, R. K. Dukor, D. van der Helm, T. A. Keiderling, Z. Koblicova, F. Pavlikova, M. Tichy, K. Blaha, Collections of Czechoslovak Chemical Communications 53, 2447-2472 (1988).
1987
50. “Vibrational Spectral Assignment and Enhanced Resolution Using Magnetic Vibrational Circular Dichroism,” T. R. Devine and T. A. Keiderling, Spectrochimica Acta, 43A, 627-629 (1987). https://doi.org/10.1016/0584-8539(87)80144-7
51. “Vibrational Circular Dichroism of Polyribonucleic Acids. A Comparative Study in Aqueous Solution.” A. Annamalai and T. A. Keiderling, Journal of the American Chemical Society, 109, 3125-3132 (1987).
52. “Vibrational Circular Dichroism of Optically Active Cyclopropanes III. trans- 2-Phenylcyclopropane Carboxylic Acid Derivatives and Related Compounds.” S. C. Yasui and T. A. Keiderling, Journal of the American Chemical Society, 109, 2311-2320 (1987).
53. “Vibrational Circular Dichroism of Polypeptides X. A Study of a-Helical Oligopeptides in Solution.” S. C. Yasui, T. A. Keiderling, R. Katachai, Biopolymers 26, 1407-1412 (1987).
54. “Intra-Configurational Absorption and Excitation Spectra of ReCl6-2 in Various A2MX6 Crystals,” R. K. Yoo, B. A. Kozikowski, S. C. Lee and T. A. Keiderling, Chemical Physics, 117, 237-254 (1987).
55. “Visible Region Absorption Spectroscopy of K2ReCl6 and Various ReCl6-2 containing A2MCl6 Host Crystals. Evidence for New Interconfigurational States,” R. K. Yoo, B. A. Kozikowski, S. C. Lee, and T. A. Keiderling, Chemical Physics 117, 255-264 (1987).
56. “Vibrational Circular Dichroism of Polypeptides XI. Conformation of Poly(L-Lysine(Z)-L-Lysine(Z)-L-1-Pyrenylalanine) and Poly(L-Lysine(Z)-L-Lysine(Z)-L-1-Napthylalanine) in Solution” S. C. Yasui, T. A. Keiderling, and M. Sisido, Macromolecules20, 2403-2406 (1987).
1986
40. “Vibrational Circular Dichroism of Polypeptides V. A Study of 310 Helical-Octapeptides” S. C. Yasui, T. A. Keiderling, G. M. Bonora, C. Toniolo, Biopolymers 25, 79-89 (1986).
41. “Vibrational Circular Dichroism of Polypeptides VI. Polytyrosine a-helical and Random Coil Results” S. C. Yasui and T. A. Keiderling, Biopolymers 25, 5-15 (1986).
43. “Thermolysis of (1R,2R)-1,2- Dideuteriocyclobutane. An application of Vibrational Circular Dichroism to Kinetic Analysis,” J. S. Chickos, A. Annamalai, and T. A. Keiderling, Journal of the American Chemical Society, 108, 4398-4402 (1986).
44. “Vibrational Circular Dichroism of Polypeptides VII. Film and Solution Studies of b-forming Homo-Oligopeptides” U. Narayanan, T. A. Keiderling, G. M. Bonora, C. Toniolo, Journal of the American Chemical Society, 108, 2431-2437 (1986).
45. "Vibrational Circular Dichroism of Polypeptides VIII. Poly Lysine Conformations as a Function of pH in Aqueous Solution,” S. C. Yasui, T. A. Keiderling, Journal of the American Chemical Society, 108, 5576-5581 (1986).
46. “Magnetic Vibrational Circular Dichroism of the Haloforms.” T. R. Devine and T. A. Keiderling, Chemical Physics Letters, 124, 341-344 (1986).
47. “Vibrational Circular Dichroism of Polypeptides IX. A Study of Chain Length Dependence for 310-Helix Formation in Solution.” S. C. Yasui, T. A. Keiderling, F. Formaggio, G. M. Bonora, C. Toniolo, Journal of the American Chemical Society108, 4988-4993 (1986).
49. “Intraconfiguratonal Absorption Spectroscopy of IrCl6-2 and IrBr6-2 in A2MX6- type Host Crystals,” R. K. Yoo, T. A. Keiderling, Chemical Physics, 108 317-326 (1986).
1985
36. “Vibrational Spectra and Normal Mode Calculations for Cis- and Trans-1,2-dideuteriocyclo-butane,” A. Annamalai and T. A. Keiderling, Journal of Molecular Spectroscopy 109, 46-59 (1985).
37. Vibrational Circular Dichroism of Trans-1,2-dideuterio cyclobutane. Experimental and Calculational Results in the Mid Infrared,” A. Annamalai, T. A. Keiderling and J. S. Chickos, Journal of the American Chemical Society, 107, 2285-91 (1985).
38. “Vibrational Circular Dichroism of Polypeptides IV. Film Studies of L-Alanine Homo Oligopeptides,” U. Narayanan, T. A. Keiderling, G. M. Bonora, and C. Toniolo, Biopolymers 24, 1257-63 (1985).
39. “Magnetic Vibrational Circular Dichroism of Metal Hexacarbonyls,” T. R. Devine, and T. A. Keiderling, Journal of Chemical Physics 83, 3749-54 (1985); Erratum 87, 5051 (1987).
1984
31. “Magnetic Vibrational Circular Dichroism of Benzene and 1,3,5-trisubstituted Derivatives,” T. R. Devine and T. A. Keiderling, Journal of Physical Chemistry, 88, 390-94 (1984). DOI: 10.1021/j150647a013
32. “Vibrational Circular Dichroism of Polypeptides II. Solution Amide II and Deuteration Results,” A. C. Sen and T. A. Keiderling, Biopolymers, 23, 1519-32 (1984).
33. “Vibrational Circular Dichroism of Polypeptides III. Film Studies of Several a-Helical and b-Sheet Polypeptides,” A. C. Sen and T. A. Keiderling, Biopolymers, 23, 1533-46 (1984).
34. “Vibronic Coupling Effects in Magnetic Vibrational Circular Dichroism. A Model Formalism for Doubly Degenerate States,” M. Pawlikowski and T. A. Keiderling, Journal of Chemical Physics, 81, 4765-73, (1984).
35. “Vibrational Circular Dichroism of Trans-1,2-dideuteriocyclobutane. A Comparison of Fixed Partial Charge and Localized Molecular Orbital Theories with Different Force Fields,” A. Annamalai, J. S. Chickos and T. A. Keiderling, Journal of the American Chemical Society, 106, 6254-62 (1984).
1983
27. “Molecular Structure and Vibrational Circular Dichroism of Tris(trans-1,2-cyclopropanediyldimethylene)Diborate, a New, Stable Bridged Borate Ester,” V. J. Heintz, W. A. Freeman and T. A. Keiderling, Inorganic Chemistry, 22, 2319-24 (1983).
28. “Interconfigurational Absorption and Excitation Spectroscopy of Os+4 in K2SnCl6 and K2OsCl6 Crystals,” B. A. Kozikowski and T. A. Keiderling, Journal of Physical Chemistry, 87, 4630-37 (1983).
29. “Coupled Oscillator Interpretation of the Vibrational Circular Dichroism of Several Dicarbonyl-Containing Steroids,” U. Narayanan and T. A. Keiderling, Journal of the American Chemical Society, 105, 6406-10 (1983).
30. “Magnetic Vibrational Circular Dichroism of Methyl Halides in Solution,” T. R. Devine and T. A. Keiderling, Journal of Chemical Physics, 79, 5796-5801 (1983).
1982
25. “Two-photon Excitation Spectrum of K2PtCl6,” B. A. Kozikowski and T. A. Keiderling, Chemical Physics Letters, 86, 463-66 (1982).
26. “Mid-infrared Vibrational Circular Dichroism Studies of Cyclophosphamide and Its Congeners,” C. N. Su, T. A. Keiderling, K. Misura, and W. J. Stec, Journal of the American Chemical Society, 104, 7343-44 (1982).
1981
17. “Vibrational Circular Dichroism of 3-Methyl Cyclohexanone. Fixed Partial Charge Calculations,” R. D. Singh and T. A. Keiderling, Journal of Chemical Physics, 74, 5347-56 (1981).
19. “Vibrational Circular Dichroism of Poly-g-Benzyl-L-Glutamate,” R. D. Singh, and T. A. Keiderling, Biopolymers, 20, 237-40 (1981).
21. “Vibrational Circular Dichroism of Methyl Deformation Modes,” C. N. Su and T. A. Keiderling, Chemical Physics Letters, 77, 494-99 (1981).
22. “Vibrational Circular Dichroism of Optically Active Cyclopropanes. Experimental Results,” V. J. Heintz and T. A. Keiderling, Journal of the American Chemical Society, 103, 2395-2403 (1981).
23. “Vibrational Circular Dichroism of Monoterpenes. Consistent Force Field, Fixed Partial Charge Calculations,” R. D. Singh and T. A. Keiderling, Journal of the American Chemical Society, 103, 2387-94 (1981).
24. “Observation of Magnetic Vibrational Circular Dichroism,” T. A. Keiderling, Journal of Chemical Physics, 75, 3639-41 (1981).
1980
13. “The Conformation of Dimethyl Tartrate in Solution. Vibrational Circular Dichroism Results,” C. N. Su and T. A. Keiderling, Journal of the American Chemical Society, 102, 511-15 (1980).
14. “Magnetic Circular Dichroism of Uranium Borohydride in the Near IR,” T. A. Keiderling and W. C. Schulz, Chemical Physics Letters, 71, 123-26 (1980).
15. “Intraconfigurational Absorption and Magnetic Circular Dichroism Spectra of Os+4 in Cs2ZrCl6,” B. A. Kozikowski and T. A. Keiderling, Molecular Physics, 40, 477-90 (1980).
16. “Vibrational Circular Dichroism in the Mid-Infrared,” C. N. Su, V. J. Heintz, and T. A. Keiderling, Chemical Physics Letters, 73, 157-159 (1980).
20. “Intraconfigurational Absorption and Magnetic Circular Dichroism of Re+4 in Cs2ZrCl6 and in Cs2ZrCl6,” B. A. Kozikowski and T. A. Keiderling, Chemical Physics, 53, 323-31 (1980).
1979
12 . “Vibrational Circular Dichroism of Spirononadiene. Fixed Partial Charge Calculations,” T. A. Keiderling and P. J. Stephens, Journal of the American Chemical Society, 101, 1396-1400 (1979).
1978
10. “Circular Dichroism and Magnetic Circular Dichroism of Iron-Sulfur Proteins,” P. J. Stephens, A. J. Thomson, T. A. Keiderling, J. B. R. Dunn, J. Rawlings, K. K. Rao and D. O. Hall, Biochemistry, 17, 4770-78 (1978).
11. “Cluster Characterization in Iron-Sulfur Proteins by Magnetic Circular Dichroism,” P. J. Stephens, A. J. Thomson, T. A. Keiderling, J. Rawlings, K. K. Rao and D. O. Hall, Proceedings of the National Academy of Science, 75, 5273-75 (1978).
1977
9. “Vibrational Circular Dichroism of Dimethyl Tartrate: A Coupled Oscillator,” T. A. Keiderling and P. J. Stephens, Journal of the American Chemical Society, 99, 8061-62 (1977).
1976
7. “Vibrational Circular Dichroism,” L. A. Nafie, T. A. Keiderling and P. J. Stephens, Journal of the American Chemical Society, 98, 2715-23 (1976).
8. “Vibrational Circular Dichroism of Overtone and Combination Bands,” T. A. Keiderling and P. J. Stephens, Chemical Physics Letters, 41, 46-48 (1976).
1975
5. “Raman and Infrared Spectra of Hf(BH4)4 and Hf(BH4)4: Evidence of Hf-B Bonding,” T. A. Keiderling, W. T. Wozniak, R. S. Gay, D. Jurkowitz, E. R. Bernstein, S. J. Lippard, and T. G. Spiro, Inorganic Chemistry, 14, 576-79 (1975).
6. “Infrared Absorption and Magnetic Circular Dichroism of Cs2ZrCl6:Ir+4,” T. A. Keiderling, P. J. Stephens, S. B. Piepho, J. L. Slater, and P. N. Schatz, Chemical Physics, 11, 343-48 (1975).
1973
4. “Optical and Magnetic Resonance Spectra of Inorganic Molecular Crystals -- Uranium Borohydride (U(BH4)4) in Hafnium Borohydride (U(BH4)4),” E. R. Bernstein and T. A. Keiderling, Journal of Chemical Physics, 59, 2105-22 (1973).
1972
2. “Structure of Uranium Borohydride by Single Crystal X-Ray Diffraction,” E. R. Bernstein, T. A. Keiderling, S. J. Lippard, and J. J. Mayerle, Journal of the American Chemical Society, 94, 2552-53 (1972).
3. “Fourteen Coordinate Uranium(IV). The Structure of Uranium Borohydride by Single Crystal Neutron Diffraction,” E. R. Bernstein, W. C. Hamilton, T. A. Keiderling, S. J. LaPlaca, S. J. Lippard, and J. J. Mayerle, Inorganic Chemistry, 11, 3009-16 (1972).
1971
1. “The Crystal Structure of Tetraethylammonium Hexabromoantimonate(V), N(C2H5)4SbBr6,” M. L. Hackert, T. A. Keiderling and R. A. Jacobson, Inorganic Chemistry, 10, 1075-78 (1971).