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You searched on: Author: david plusquellic

Displaying records 21 to 30 of 101 records.
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21. THz Investigations of Condensed Phase Biomolecular Systems
Published: 10/8/2008
Authors: Kevin O Douglass, Hailiang Zhang, Susan K. Gregurick, Karen M. Siegrist, David F Plusquellic
Abstract: Terahertz (THz) spectroscopic investigations of crystalline dipeptide nanotubes are discussed in the frequency region from 0.6 THz (2 cm-1) to 3 THz (100 cm-1). The THz region provides access to collective modes of biomolecular systems and is theref ...

22. Terahertz Spectroscopy of Biomolecules
Published: 12/22/2007
Authors: David F Plusquellic, Edwin J Heilweil
Abstract: Far-infrared (Terahertz or THz) spectroscopic investigations of condensed-phase biological and model organic species including substituted benzenes, amino acids, sugars, polypeptides, small proteins and DNA/RNA are reviewed. These studies reveal tha ...

23. Probing the Electronic Structure of Peptide Bonds Using Methyl Groups:Experimental Measures of Resonance Weights
Published: 6/23/2007
Authors: David F Plusquellic, David W Pratt
Abstract: The observed V3 torsional barriers reported for nine methyl groups attached alpha to peptide bond linkages in five gas phase biomimetics are interpreted at the HF/6311++G(d,p) level of theory in terms of the natural bonding orbitals and the natural r ...

24. Applications of THz Spectroscopy in Biosystems
Published: 1/1/2007
Authors: David F Plusquellic, Karen M. Siegrist, Edwin J Heilweil, Okan Esenturk

25. High Resolution THz Spectroscopy of Crystalline Peptides: Exploring Hydrogen Bonding Networks, ed. by K. Kneipp, R. Aroca, H. Kneipp and E. Wentrup-Byrne
Published: 1/1/2007
Authors: Karen M. Siegrist, C R. Bucher, Candace Pfefferkorn, A Schwarzkopf, David F Plusquellic

26. Rotational Spectra and Conformational Structures of1-Phenyl-2-Propanol, Methamphetamine, and 1-Phenyl-2-Propanone
Published: 12/14/2006
Authors: M J Tubergen, R L Lavrich, David F Plusquellic, R D. Suenram
Abstract: Microwave spectra have been recorded for 1-phenyl-2-propanol, methamphetamine, and 1-phenyl-2-propanone in the range 11 GHz to 24 GHz using a Fourier-transform microwave spectrometer. Only one spectrum from a single conformational isomer was observe ...

27. The Microwave Spectrum of a Two-Top Peptide Mimetic: The N-Acetyl Alanine Methyl Ester Molecule
Published: 9/14/2006
Authors: I Kleiner, J Demaison, David F Plusquellic, R D. Suenram, R J Lavrich, Francis John Lovas, Gerald T Fraser, Vadim V Ilyushin
Abstract: Rotational spectra of the ground torsional state of the N-acetyl alanine methyl ester molecule, a derivative of the alanine dipeptide biomimetic molecule, have been measured using a mini Fourier transform spectrometer between 10 and 20 GHz as part of ...

28. Microwave Spectrum of the Heterodimers: CH^d3^OH-CO^d2^ and CH^d3^OH-H^d2^CO
Published: 9/1/2006
Authors: Vadim V Ilyushin, Francis John Lovas, David F Plusquellic
Abstract: Molecular complexes, dimers and heterodimers, often show interesting structures, large amplitude internal motions and orientations for reaction coordinates. These properties were the motivations for the current study of the rotational spectra of the ...

29. High Resolution Thz Spectroscopy of Crystalline Trialanine: Extreme Sensitivity to Secondary Structure and Co-Crystallized Water
Published: 5/3/2006
Author: David F Plusquellic
Abstract: High resolution THz absorption spectra have been obtained at 4.2 K for three well-defined crystalline forms of trialanine [NH3+-(Ala)3-CO2-]. The crystal structures differ in their secondary structures (parallel (p) vs anti-parallel (ap) sheet) and ...

30. High Resolution THz Spectroscopy of Crystalline Trialanine: Extreme Sensitivity to {beta}-sheet Structure and Co-crystallized Water
Published: 4/6/2006
Authors: Karen M. Siegrist, C R. Bucher, Idan Mandelbaum, Angela R Hight Walker, R Balu, Susan K. Gregurick, David F Plusquellic

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