Professor of Chemistry
Ph.D., Indian Institute of Technology, Madras, 1976
prasad.l.polavarapu@vanderbilt.edu

My current research focuses in two directions. In one direction, three dimensional molecular structures of chiral molecules, in the solution or vapor phase, are determined using chiroptical spectroscopic methods. This direction also involves developing new instrumental techniques and the use of quantum theoretical techniques. In the second direction, the secondary structures of biological molecules are determined. The specific areas of interest include: (1). vibrational circular dichroism (VCD), which measures the differential absorption of left versus right circularly polarized infrared radiation; (2). vibrational Raman optical activity (VROA), which measures the corresponding difference in vibrational Raman scattering; (3). optical rotatory dispersion (ORD), which measures the rotation of plane polarized light as a function of wavelength; (4). electronic circular dichroism (ECD), which measures the differential absorption of left versus right circularly polarized visible radiation. The first quantum mechanical predictions of VROA [J. Phys. Chem., 94, 8106-8112 (1990)] and of optical rotation [Mol. Phys. 91, 551-554 (1997)] carried out in this laboratory led to remarkable progress in these areas.

The research in my lab uses the experimental measurements in the above mentioned areas, and combines them with either corresponding quantum mechanical predictions or spectra-structure correlations (in the case of biological molecules) to establish the structures of chiral organic molecules and biological molecules in the solution phase.

Selected Publications

Shanmugam G, Polavarapu PL. Structural Transition During Thermal Denaturation of Collagen in the Solution and Film States. Chirality. 2009, 21 (1): 152-159.

Polavarapu PL, Jeirath N, Walia S. Conformational Sensitivity of Chiroptical Spectroscopic Methods: 6,6 '-Dibromo-1,1 '-bi-2-naphthol. Journal of Physical Chemistry A. 2009, 113 (18): 5423-5431.

Xiao Y, Guo M, Zhang P, Shanmugam G, Polavarapu PL, Hutson MS. Wavelength-dependent conformational changes in collagen after mid-infrared laser ablation of cornea. Biophysical Journal. 2008, 94 (4): 1359-1366.

He JT, Petrovic AG, Dzyuba SV, Berova N, Nakanishi K, Polavarapu PL. Spectroscopic investigation of Ginkgo biloba terpene trilactones and their interaction with amyloid peptide A beta(25-35). Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2008, 69 (4): 1213-1222.

Polavarapu PL. Why is it important to simultaneously use more than one chiroptical spectroscopic method for determining the structures of chiral molecules?. Chirality. 2008, 20 (5): 664-672.

Ana G. Petrovic, Prasad L. Polavarapu, Jozef Drabowicz, Piotr Yzwa, Marian Mikoajczyk, Wanda Wieczorek, and Agnieszka Baliska. Diastereomers of N-phenylethyl-t-butylsulfinamide: Absolute Configurations and Predominant Conformations. Journal of Organic Chemistry. 2008, 73 (8): 3120-3129.

Petrovic AG, Polavarapu PL. The quadruplex-duplex structural transition of polyriboguanylic acid. Journal of Physical Chemistry B. 2008, 112 (7): 2245-2254.

Petrovic AG, Vick SE, Polavarapu PL. Determination of the absolute stereochemistry of chiral biphenanthiryls in solution phase using chiroptical spectroscopic methods: 2,2 '-diphenyl-[3,3 '-biphenanthrene]-4,4 '-diol. Chirality. 2008, 20 (3-4): 501-510.

Drabowicz J, Zajac A, Krasowska D, Bujnicki B, Dudzinski B, Janicka M, Mikolajczyk M, Chmielewski M, Czarnocki Z, Gawronski J, Polavarapu PL, Wieczorek MW, Marciniak B, Sokolowska-Rozycka E. Chiral sulfur-containing structures: Selected synthetic and structural aspects. Heteroatom Chemistry. 2007, 18 (5): 527-536.

Petrovic AG, Polavarapu PL. Chiroptical spectroscopic determination of molecular structures of chiral sulfinamides: t-butanesulrinamide. Journal of Physical Chemistry. 2007, A 111 (43): 10938-10943.

Armstrong DW, Cotton FA, Petrovic AG, Polavarapu PL, Warnke MM. Resolution of enantiomers in solution and determination of the chirality of extended metal atom chains. Inorganic Chemistry. 2007, 46 (5): 1535-1537.

Polavarapu PL. Renaissance in chiroptical spectroscopic methods for molecular structure determination. Chemical Record. 2007, 7 (2): 125-136.

Tang HZ, Garland ER, Novak BM, He JT, Polavarapu PL, Sun FC, Sheiko SS. Helical polyguanidines prepared by helix-sense-selective polymerizations of achiral carbodiimides using enantiopure binaphthol-based titanium catalysts. Macromolecules. 2007, 40 (10): 3575-3580.

Zhang P, Polavarapu PL. Spectroscopic investigation of the structures of dialkyl tartrates and their cyclodextrin complexes. Journal of Physical Chemistry. 2007, 111 (5): 858-871.

Zhang P, Polavarapu PL, Huang JM, Li TY. Spectroscopic rationalization of the separation abilities of decaproline chiral selector in dichloromethane-isopropanol solvent mixture. Chirality. 2007, 19 (2): 99-105.

Polavarapu PL, Petrovic AG, Zhang P. Kramers-Kronig transformation of experimental electronic circular dichroism: Application to the analysis of optical rotatory dispersion in dimethyl-L-tartrate. Chirality. 2006, 18 (9): 723-732.

Petrovic AG, Polavarapu PL. Structural transitions in polyribocytidylic acid induced by changes in pH and temperature: Vibrational circular dichroism study in solution and film states. Journal of Physical Chemistry B. 2006, 110 (45): 22826-22833.

Polavarapu PL. Protocols for the analysis of theoretical optical rotations. Chirality. 2006, 18 (5): 348-356.

Shanmugam G, Polavarapu PL. Structures of intact glycoproteins from vibrational circular dichroism. Proteins-Structure Function and Bioinformatics. 2006, 63 (4): 768-776.

Zhang P, Polavarapu PL. Vibrational circular dichroism of matrix-assisted amino acid films in the mid-infrared region. Applied Spectroscopy. 2006, 60 (4): 378-385.

Polavarapu PL. Quantum mechanical predictions of chiroptical vibrational properties. International Journal of Quantum Chemistry. 2006, 106 (8): 1809-1814.

Peeters OM, Polavarapu PL, Zhang P, Gera L, Gal J. (+)-1-[(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropionyl]4-(4-{[(2R,4S)-2-( 2,4-dichlorophenyl)2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine methanol solvate. ACTA Crystallographica Section E-Structure Reports Online. 2006, 62: O191-O192 Part 1.

Polavarapu PL. Kramers-Kronig transformation for optical rotatory dispersion studies. Journal of Physical Chemistry A. 2005, 109 (32): 7013-7023.

Drabowicz J, Luczak J, Lyzwa P, Kielbasinski P, Mikolajczyk M, Yamamoto Y, Matsukawa S, Akiba KY, Wang F, Polavarapu PL, Wieczorek MW. Some chiral and achiral low- and high-coordinated selenium and tellurium compounds: Syntheses, structural determination, and selected synthetic applications. Phosphorus Sulfur and Silicon and the Related Elements. 2005, 180
(3-4): 741-753.

He JT, Polavarapu PL. Determination of the absolute configuration of chiral alpha-aryloxypropanoic acids using vibrational circular dichroism studies: 2-(2-chlorophenoxy) propanoic acid and 2-(3-chlorophenoxy) propanoic acid. Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2005, 61 (7): 1327-1334.

Specialties

• Physical Chemistry
• Biophysical Chemistry

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