| Year |
Citation |
Score |
| 2023 |
Covington CL, Puente AR, Polavarapu PL. Pitfalls in the Optimization of Conformer Populations to Maximize the Similarity between Predicted and Experimental Chiroptical Spectra. The Journal of Physical Chemistry. A. PMID 38154123 DOI: 10.1021/acs.jpca.3c06544 |
0.43 |
|
| 2023 |
Puente AR, Polavarapu PL. Influence of microsolvation on vibrational circular dichroism spectra in dimethyl sulfoxide solvent: A Bottom-Up approach using Quantum cluster growth. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 303: 123231. PMID 37562213 DOI: 10.1016/j.saa.2023.123231 |
0.437 |
|
| 2023 |
Puente AR, Polavarapu PL. Chiral explosives: A theoretical investigation of structure and chiroptical properties of triacetone triperoxide and hexamethylene triperoxide diamine. Chirality. 35: 211-226. PMID 36651721 DOI: 10.1002/chir.23532 |
0.413 |
|
| 2022 |
Harris CM, Harris TM, Stec DF, Schley ND, Johnson JL, Covington CL, Polavarapu PL. Synthesis, characterization and absolute configurations of methyl ladderanoates. Chirality. PMID 36367323 DOI: 10.1002/chir.23515 |
0.456 |
|
| 2022 |
Puente AR, Nagabhushanam K, Ganjihal S, Majeed M, Polavarapu PL. Chiroptical spectroscopic studies for the absolute configuration determination of hexahydrocurcumin and octahydrocurcumin. Chirality. PMID 36300855 DOI: 10.1002/chir.23511 |
0.378 |
|
| 2021 |
Puente AR, Bessaguet A, Pairault N, Pieters G, Crassous J, Polavarapu PL, Opalinski I, Papot S. Absolute configuration of a [1]rotaxane determined from vibrational and electronic circular dichroism spectra. Chirality. 33: 773-782. PMID 34590354 DOI: 10.1002/chir.23365 |
0.479 |
|
| 2021 |
Johnson JL, Polavarapu PL. Chiral Molecular Structure Determination for a Desired Compound Just from Its Molecular Formula and Vibrational Optical Activity Spectra. The Journal of Physical Chemistry. A. PMID 34478311 DOI: 10.1021/acs.jpca.1c06369 |
0.447 |
|
| 2021 |
Johnson JL, Santoro E, Zatout R, Petrovic AG, Cimmino A, Superchi S, Evidente A, Berova ND, Polavarapu PL. Absolute configuration of seco-eudesmanolide inuloxin D from experimental and predicted chiroptical studies of its 4-O-acetyl derivative. Chirality. PMID 33598968 DOI: 10.1002/chir.23301 |
0.611 |
|
| 2020 |
Polavarapu PL, Santoro E, Covington CL, Johnson JL, Puente AR, Schley ND, Kallingathodi Z, Prakasan PC, Haleema S, Thomas AA, Ibnusaud I. How important are the intermolecular hydrogen bonding interactions in methanol solvent for interpreting the chiroptical properties? Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 247: 119094. PMID 33142265 DOI: 10.1016/j.saa.2020.119094 |
0.393 |
|
| 2020 |
Naret T, Lesot P, Puente AR, Polavarapu PL, Buisson DA, Crassous J, Pieters G, Feuillastre S. Chemical Synthesis of [H]-Ethyl Tosylate and Exploration of Its Crypto-optically Active Character Combining Complementary Spectroscopic Tools. Organic Letters. PMID 33141582 DOI: 10.1021/acs.orglett.0c03219 |
0.381 |
|
| 2020 |
Polavarapu PL. Optical purity, enantiomeric excess and the Horeau effect. Organic & Biomolecular Chemistry. 18: 6801-6806. PMID 32936189 DOI: 10.1039/D0Ob01497D |
0.431 |
|
| 2020 |
Petrovic AG, Polavarapu PL, Łopusiński A, Krasowska D, Wieczorek W, Szyrej M, Błaszczyk J, Drabowicz J. Absolute Configuration and Conformation of (-)---Butylphenylphosphinoamidate: Chiroptical Spectroscopy and X-ray Analysis. The Journal of Organic Chemistry. PMID 32786637 DOI: 10.1021/Acs.Joc.0C00756 |
0.717 |
|
| 2020 |
Polavarapu PL, Santoro E. Vibrational optical activity for structural characterization of natural products. Natural Product Reports. PMID 32608433 DOI: 10.1039/D0Np00025F |
0.509 |
|
| 2020 |
Habel D, Nair DS, Kallingathodi Z, Mohan C, Pillai SM, Nair RR, Thomas G, Haleema S, Gopinath C, Abdul RV, Fritz M, Puente AR, Johnson JL, Polavarapu PL, Ibnusaud I. Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons. Journal of Natural Products. PMID 32584573 DOI: 10.1021/Acs.Jnatprod.0C00211 |
0.628 |
|
| 2020 |
Polavarapu PL, Santoro E, Covington CL, Raghavan V. Enhancement of the chiroptical response of α-amino acids via N-substitution for molecular structure determination using vibrational circular dichroism. Chirality. PMID 32115784 DOI: 10.1002/Chir.23205 |
0.517 |
|
| 2020 |
Johnson JL, Zajac G, Baranska M, Polavarapu PL. Vibrational Raman optical activity of camphor: The importance of electric‐dipole—electric‐quadrupole polarizability contribution Journal of Raman Spectroscopy. 51: 669-679. DOI: 10.1002/Jrs.5829 |
0.499 |
|
| 2019 |
Johnson JL, Nair DS, Pillai SM, Johnson D, Kallingathodi Z, Ibnusaud I, Polavarapu PL. Dissymmetry Factor Spectral Analysis Can Provide Useful Diastereomer Discrimination: Chiral Molecular Structure of an Analogue of (-)-Crispine A. Acs Omega. 4: 6154-6164. PMID 31459760 DOI: 10.1021/acsomega.8b03678 |
0.436 |
|
| 2019 |
Johnson JL, Polavarapu PL. Chiral Molecular Structures of Substituted Indans: Ring Puckering, Rotatable Substituents, and Vibrational Circular Dichroism. Acs Omega. 4: 4963-4976. PMID 31459680 DOI: 10.1021/acsomega.8b03628 |
0.469 |
|
| 2019 |
Khatri Chhetri B, Lavoie S, Sweeney-Jones AM, Mojib N, Raghavan V, Gagaring K, Dale B, McNamara CW, Soapi K, Quave CL, Polavarapu PL, Kubanek J. Peyssonnosides A-B, Unusual Diterpene Glycosides with a Sterically Encumbered Cyclopropane Motif: Structure Elucidation Using an Integrated Spectroscopic and Computational Workflow. The Journal of Organic Chemistry. PMID 31244158 DOI: 10.1021/Acs.Joc.9B00884 |
0.435 |
|
| 2018 |
Raghavan V, Johnson JL, Stec DF, Song B, Zajac G, Baranska M, Harris CM, Schley ND, Polavarapu PL, Harris TM. Absolute Configurations of Naturally Occurring [5]- and [3]-Ladderanoic Acids: Isolation, Chiroptical Spectroscopy, and Crystallography. Journal of Natural Products. PMID 30562024 DOI: 10.1021/Acs.Jnatprod.8B00458 |
0.402 |
|
| 2018 |
Johnson JL, Raghavan V, Cimmino A, Moeini A, Petrovic AG, Santoro E, Superchi S, Berova N, Evidente A, Polavarapu PL. Absolute configurations of chiral molecules with multiple stereogenic centers without prior knowledge of the relative configurations: A case study of inuloxin C. Chirality. PMID 30199113 DOI: 10.1002/Chir.23013 |
0.637 |
|
| 2018 |
Peixoto D, Ferreira EP, Lourenço AM, Johnson JL, Lobo AM, Polavarapu PL. (R)-Metacycloprodigiosin-HCl: Chiroptical properties and structure. Chirality. PMID 29746716 DOI: 10.1002/Chir.22867 |
0.438 |
|
| 2018 |
Raghavan V, Covington CL, Polavarapu PL. Specific optical rotation for the identification of the locus of solubilization of chiral molecules in achiral micelles Journal of Molecular Spectroscopy. 350: 1-9. DOI: 10.1016/J.Jms.2018.05.002 |
0.471 |
|
| 2017 |
Raghavan V, Polavarapu PL. Specific optical rotation is a versatile tool for the identification of critical micelle concentration and micellar growth of tartaric acid-based diastereomeric amphiphiles. Chirality. PMID 28991388 DOI: 10.1002/Chir.22767 |
0.467 |
|
| 2017 |
Covington CL, Raghavan V, Smuts JP, Armstrong DW, Polavarapu PL. Absolute configuration of an axially chiral sulfonate determined from its optical rotatory dispersion, electronic circular dichroism, and vibrational circular dichroism spectra. Chirality. PMID 28833487 DOI: 10.1002/Chir.22739 |
0.526 |
|
| 2017 |
Polavarapu PL, Covington CL, Raghavan V. To Avoid Chasing Incorrect Chemical Structures of Chiral Compounds: Raman Optical Activity and Vibrational Circular Dichroism Spectroscopies. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28700810 DOI: 10.1002/Cphc.201700764 |
0.509 |
|
| 2017 |
Covington CL, Polavarapu PL. CDSpecTech: A single software suite for multiple chiroptical spectroscopic analyses. Chirality. PMID 28403537 DOI: 10.1002/Chir.22691 |
0.547 |
|
| 2017 |
Mauduit M, Blons C, Morin MS, Schmid TE, Vives T, Colombel-Rouen S, Baslé O, Reynaldo T, Covington CL, Halbert S, Cuskelly SN, Bernhardt PV, Williams CM, Crassous J, Polavarapu PL, et al. Asymmetric Sequential Cu-Catalyzed 1,6/1,4 Conjugate Additions of Hard Nucleophiles to Cyclic Dienones. Determination of Absolute Configurations and Origins of Enantioselectivity. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28370488 DOI: 10.1002/Chem.201606034 |
0.423 |
|
| 2017 |
Raghavan V, Polavarapu PL. The First Room Temperature Chiral Anionic Liquid Forming Micelles and Reverse Micelles. The Journal of Physical Chemistry. B. PMID 28121151 DOI: 10.1021/Acs.Jpcb.6B11964 |
0.398 |
|
| 2017 |
Polavarapu PL, Covington CL, Chruszcz-Lipska K, Zajac G, Baranska M. Vibrational Raman optical activity of bicyclic terpenes: comparison between experimental and calculated vibrational Raman, Raman optical activity, and dimensionless circular intensity difference spectra and their similarity analysis: Vibrational Raman optical activity of bicyclic terpenes: comparison between experimental and calculated vibrational Raman, Raman optical activity, and Journal of Raman Spectroscopy. 48: 777-777. DOI: 10.1002/Jrs.5157 |
0.535 |
|
| 2016 |
Kivala M, Gliemann BD, Petrovic AG, Zolnhofer EM, Dral PO, Hampel F, Breitenbruch G, Philipp S, Raghavan V, Meyer K, Polavarapu PL, Berova N. Configurationally Stable Chiral Dithia-Bridged Hetero[4]helicene Radical Cation: Electronic Structure and Absolute Configuration. Chemistry, An Asian Journal. PMID 27869352 DOI: 10.1002/Asia.201601452 |
0.676 |
|
| 2016 |
Covington CL, Junior FM, Silva JH, Kuster RM, de Amorim MB, Polavarapu PL. Atropoisomerism in Biflavones: The Absolute Configuration of (-)-Agathisflavone via Chiroptical Spectroscopy. Journal of Natural Products. PMID 27723329 DOI: 10.1021/Acs.Jnatprod.6B00395 |
0.542 |
|
| 2016 |
Polavarapu PL. Determination of the Absolute Configurations of Chiral Drugs Using Chiroptical Spectroscopy. Molecules (Basel, Switzerland). 21. PMID 27529201 DOI: 10.3390/Molecules21081056 |
0.43 |
|
| 2016 |
Covington CL, Polavarapu PL. Concentration Dependent Specific Rotations of Chiral Surfactants: Experimental and Computational Studies. The Journal of Physical Chemistry. A. PMID 27355395 DOI: 10.1021/Acs.Jpca.6B05039 |
0.455 |
|
| 2016 |
Covington CL, Polavarapu PL. Solvation dependence observed in the electronic dissymmetry factor spectra: how much information are we missing by analyzing the circular dichroism spectra alone? Physical Chemistry Chemical Physics : Pccp. PMID 27149694 DOI: 10.1039/C6Cp01247G |
0.526 |
|
| 2016 |
Polavarapu PL. Structural Analysis Using Chiroptical Spectroscopy: Insights and Cautions. Chirality. PMID 27103344 DOI: 10.1002/Chir.22601 |
0.413 |
|
| 2016 |
Kovalenko A, Jouhannaud J, Polavarapu P, Krafft MP, Waton G, Pourroy G. Incorporation of negatively charged iron oxide nanoparticles in the shell of anionic surfactant-stabilized microbubbles: The effect of NaCl concentration. Journal of Colloid and Interface Science. 472: 180-6. PMID 27038281 DOI: 10.1016/j.jcis.2016.02.016 |
0.207 |
|
| 2016 |
Covington CL, Polavarapu PL. Specific Optical Rotations and the Horeau Effect. Chirality. 28: 181-5. PMID 26708926 DOI: 10.1002/Chir.22565 |
0.428 |
|
| 2016 |
Longhi G, Tommasini M, Abbate S, Polavarapu PL. Corrigendum to “The connection between robustness angles and dissymmetry factors in vibrational circular dichroism spectra” [Chem. Phys. Lett. 639 (2015) 320–325] Chemical Physics Letters. 648: 208. DOI: 10.1016/J.Cplett.2016.02.002 |
0.462 |
|
| 2016 |
Polavarapu PL, Covington CL, Chruszcz-Lipska K, Zajac G, Baranska M. Vibrational Raman optical activity of bicyclic terpenes: comparison between experimental and calculated vibrational Raman, Raman optical activity, and dimensionless circular intensity difference spectra and their similarity analysis Journal of Raman Spectroscopy. 48: 305-313. DOI: 10.1002/Jrs.5035 |
0.578 |
|
| 2015 |
Junior FM, Covington CL, de Albuquerque AC, Lobo JF, Borges RM, de Amorim MB, Polavarapu PL. Absolute Configuration of (-)-Centratherin, a Sesquiterpenoid Lactone, Defined by Means of Chiroptical Spectroscopy. Journal of Natural Products. PMID 26565920 DOI: 10.1021/Acs.Jnatprod.5B00546 |
0.495 |
|
| 2015 |
Covington CL, Nicu VP, Polavarapu PL. Determination of the Absolute Configurations Using Exciton Chirality Method for Vibrational Circular Dichroism: Right Answers for the Wrong Reasons? The Journal of Physical Chemistry. A. 119: 10589-601. PMID 26401833 DOI: 10.1021/Acs.Jpca.5B07940 |
0.516 |
|
| 2015 |
Norman P, Parello J, Polavarapu PL, Linares M. Predicting near-UV electronic circular dichroism in nucleosomal DNA by means of DFT response theory. Physical Chemistry Chemical Physics : Pccp. 17: 21866-79. PMID 26235105 DOI: 10.1039/C5Cp02481A |
0.387 |
|
| 2015 |
Polavarapu PL, Covington CL. Wavelength resolved specific optical rotations and homochiral equilibria. Physical Chemistry Chemical Physics : Pccp. 17: 21630-3. PMID 26227210 DOI: 10.1039/C5Cp01834J |
0.461 |
|
| 2015 |
Busseron E, Cid JJ, Wolf A, Du G, Moulin E, Fuks G, Maaloum M, Polavarapu P, Ruff A, Saur AK, Ludwigs S, Giuseppone N. Light-controlled morphologies of self-assembled triarylamine-fullerene conjugates. Acs Nano. 9: 2760-72. PMID 25734231 DOI: 10.1021/Nn506646M |
0.212 |
|
| 2015 |
Longhi G, Tommasini M, Abbate S, Polavarapu PL. The connection between robustness angles and dissymmetry factors in vibrational circular dichroism spectra Chemical Physics Letters. 639: 320-325. DOI: 10.1016/J.Cplett.2015.09.043 |
0.468 |
|
| 2014 |
Polavarapu P, Berova N. Special Issue ofChirality: 14th International Conference on Chiroptical Spectroscopy (CD2013): Editor's note Chirality. 26: 429-429. PMID 25169778 DOI: 10.1002/Chir.22366 |
0.339 |
|
| 2014 |
Junior FM, Covington CL, de Amorim MB, Velozo LS, Kaplan MA, Polavarapu PL. Absolute Configuration of a Rare Sesquiterpene: (+)-3-Ishwarone. Journal of Natural Products. PMID 25051336 DOI: 10.1021/Np500363E |
0.462 |
|
| 2014 |
Derewacz DK, McNees CR, Scalmani G, Covington CL, Shanmugam G, Marnett LJ, Polavarapu PL, Bachmann BO. Structure and Stereochemical Determination of Hypogeamicins from a Cave-Derived Actinomycete. Journal of Natural Products. PMID 25046128 DOI: 10.1021/Np400742P |
0.377 |
|
| 2014 |
Kovalenko A, Polavarapu P, Gallani JL, Pourroy G, Waton G, Krafft MP. Super-elastic air/water interfacial films self-assembled from soluble surfactants. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 2440-4. PMID 24953549 DOI: 10.1002/cphc.201402248 |
0.238 |
|
| 2014 |
Kovalenko A, Jouhannaud J, Polavarapu P, Krafft MP, Waton G, Pourroy G. Hollow magnetic microspheres obtained by nanoparticle adsorption on surfactant stabilized microbubbles. Soft Matter. 10: 5147-56. PMID 24909785 DOI: 10.1039/c4sm00318g |
0.209 |
|
| 2014 |
Heshmat M, Baerends EJ, Polavarapu PL, Nicu VP. The importance of large-amplitude motions for the interpretation of mid-infrared vibrational absorption and circular dichroism spectra: 6,6'-dibromo-[1,1'-binaphthalene]-2,2'-diol in dimethyl sulfoxide. The Journal of Physical Chemistry. A. 118: 4766-77. PMID 24906021 DOI: 10.1021/Jp4114738 |
0.543 |
|
| 2014 |
Kovalenko A, Polavarapu P, Pourroy G, Waton G, Krafft MP. pH-controlled microbubble shell formation and stabilization. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 6339-47. PMID 24821482 DOI: 10.1021/la5007023 |
0.223 |
|
| 2014 |
Nicu VP, Mándi A, Kurtán T, Polavarapu PL. On the complementarity of ECD and VCD techniques. Chirality. 26: 525-31. PMID 24816868 DOI: 10.1002/Chir.22330 |
0.451 |
|
| 2014 |
Polavarapu PL, Covington CL. Comparison of experimental and calculated chiroptical spectra for chiral molecular structure determination. Chirality. 26: 539-52. PMID 24644231 DOI: 10.1002/Chir.22316 |
0.581 |
|
| 2013 |
Vijay R, Polavarapu PL. Molecular structural transformations induced by spatial confinement in barium fluoride cells. The Journal of Physical Chemistry. A. 117: 14086-94. PMID 24299238 DOI: 10.1021/Jp409770W |
0.432 |
|
| 2013 |
Vijay R, Baskar G, Mandal AB, Polavarapu PL. Unprecedented relationship between the size of spherical chiral micellar aggregates and their specific optical rotations. The Journal of Physical Chemistry. A. 117: 3791-7. PMID 23574486 DOI: 10.1021/Jp401544G |
0.429 |
|
| 2013 |
Covington CL, Polavarapu PL. Similarity in dissymmetry factor spectra: a quantitative measure of comparison between experimental and predicted vibrational circular dichroism. The Journal of Physical Chemistry. A. 117: 3377-86. PMID 23534955 DOI: 10.1021/Jp401079S |
0.539 |
|
| 2013 |
Bara R, Zerfass I, Aly AH, Goldbach-Gecke H, Raghavan V, Sass P, Mándi A, Wray V, Polavarapu PL, Pretsch A, Lin W, Kurtán T, Debbab A, Brötz-Oesterhelt H, Proksch P. Atropisomeric dihydroanthracenones as inhibitors of multiresistant staphylococcus aureus Journal of Medicinal Chemistry. 56: 3257-3272. PMID 23534483 DOI: 10.1021/Jm301816A |
0.391 |
|
| 2013 |
Shanmugam G, Polavarapu PL. Site-specific structure of Aβ(25-35) peptide: isotope-assisted vibrational circular dichroism study. Biochimica Et Biophysica Acta. 1834: 308-16. PMID 22910376 DOI: 10.1016/J.Bbapap.2012.08.010 |
0.385 |
|
| 2013 |
Norrehed S, Polavarapu P, Yang W, Gogoll A, Grennberg H. Conformational restriction of flexible molecules in solution by a semirigid bis-porphyrin molecular tweezer Tetrahedron. 69: 7131-7138. DOI: 10.1016/J.Tet.2013.06.013 |
0.405 |
|
| 2012 |
Vijay R, Polavarapu PL. FMOC-amino acid surfactants: discovery, characterization and chiroptical spectroscopy. The Journal of Physical Chemistry. A. 116: 10759-69. PMID 23057612 DOI: 10.1021/Jp308134M |
0.432 |
|
| 2012 |
Polavarapu PL, Donahue EA, Hammer KC, Raghavan V, Shanmugam G, Ibnusaud I, Nair DS, Gopinath C, Habel D. Chiroptical spectroscopy of natural products: avoiding the aggregation effects of chiral carboxylic acids. Journal of Natural Products. 75: 1441-50. PMID 22877358 DOI: 10.1021/Np300341Z |
0.684 |
|
| 2012 |
Nicu VP, Baerends EJ, Polavarapu PL. Understanding solvent effects in vibrational circular dichroism spectra: [1,1'-binaphthalene]-2,2'-diol in dichloromethane, acetonitrile, and dimethyl sulfoxide solvents. The Journal of Physical Chemistry. A. 116: 8366-73. PMID 22823285 DOI: 10.1021/Jp303891X |
0.564 |
|
| 2012 |
Polavarapu PL, Vijay R. Chiroptical spectroscopy of surfactants. The Journal of Physical Chemistry. A. 116: 5112-8. PMID 22559323 DOI: 10.1021/Jp3022419 |
0.457 |
|
| 2012 |
Polavarapu PL. Molecular structure determination using chiroptical spectroscopy: where we may go wrong? Chirality. 24: 909-20. PMID 22544541 DOI: 10.1002/Chir.22015 |
0.486 |
|
| 2012 |
Shanmugam G, Polavarapu PL, Láng E, Majer Z. Conformational analysis of amyloid precursor protein fragment containing amino acids 667-676, and the effect of D-Asp and iso-Asp substitution at Asp₆₇₂ residue. Journal of Structural Biology. 177: 621-9. PMID 22326906 DOI: 10.1016/J.Jsb.2012.01.012 |
0.4 |
|
| 2012 |
Haleema S, Sasi PV, Ibnusaud I, Polavarapu PL, Kagan HB. Enantiomerically pure compounds related to chiral hydroxy acids derived from renewable resources Rsc Advances. 2: 9257-9285. DOI: 10.1039/C2Ra21205F |
0.357 |
|
| 2012 |
Polavarapu PL. Determination of the Structures of Chiral Natural Products Using Vibrational Circular Dichroism Comprehensive Chiroptical Spectroscopy. 2: 387-420. DOI: 10.1002/9781118120392.ch11 |
0.398 |
|
| 2012 |
Berova N, Polavarapu PL, Nakanishi K, Woody RW. Comprehensive Chiroptical Spectroscopy Comprehensive Chiroptical Spectroscopy. 2. DOI: 10.1002/9781118120392 |
0.356 |
|
| 2012 |
Berova N, Polavarapu PL, Nakanishi K, Woody RW. Preface Comprehensive Chiroptical Spectroscopy. 1. DOI: 10.1002/9781118120187 |
0.179 |
|
| 2011 |
Polavarapu PL, Shanmugam G. Comparison of mid-infrared Fourier transform vibrational circular dichroism measurements with single and dual polarization modulations. Chirality. 23: 801-7. PMID 22135810 DOI: 10.1002/Chir.20999 |
0.466 |
|
| 2011 |
Shanmugam G, Polavarapu PL. Isotope-assisted vibrational circular dichroism investigations of amyloid β peptide fragment, Aβ(16-22). Journal of Structural Biology. 176: 212-9. PMID 21855637 DOI: 10.1016/J.Jsb.2011.08.004 |
0.409 |
|
| 2011 |
Romaine IM, Hempel JE, Shanmugam G, Hori H, Igarashi Y, Polavarapu PL, Sulikowski GA. Assignment and stereocontrol of hibarimicin atropoisomers Organic Letters. 13: 4538-4541. PMID 21812391 DOI: 10.1021/Ol2017005 |
0.395 |
|
| 2011 |
Polavarapu PL, Donahue EA, Shanmugam G, Scalmani G, Hawkins EK, Rizzo C, Ibnusaud I, Thomas G, Habel D, Sebastian D. A single chiroptical spectroscopic method may not be able to establish the absolute configurations of diastereomers: dimethylesters of hibiscus and garcinia acids. The Journal of Physical Chemistry. A. 115: 5665-73. PMID 21568330 DOI: 10.1021/Jp202501Y |
0.549 |
|
| 2011 |
Shanmugam G, Phambu N, Polavarapu PL. Unusual structural transition of antimicrobial VP1 peptide. Biophysical Chemistry. 155: 104-8. PMID 21458141 DOI: 10.1016/J.Bpc.2011.03.005 |
0.404 |
|
| 2011 |
Polavarapu PL, Scalmani G, Hawkins EK, Rizzo C, Jeirath N, Ibnusaud I, Habel D, Nair DS, Haleema S. Importance of solvation in understanding the chiroptical spectra of natural products in solution phase: garcinia acid dimethyl ester. Journal of Natural Products. 74: 321-8. PMID 21114277 DOI: 10.1021/Np100512W |
0.492 |
|
| 2011 |
Polavarapu PL, Frelek J, Woźnica M. Determination of the absolute configurations using electronic and vibrational circular dichroism measurements and quantum chemical calculations Tetrahedron Asymmetry. 22: 1720-1724. DOI: 10.1016/J.Tetasy.2011.09.008 |
0.494 |
|
| 2010 |
Zhao C, Polavarapu PL. ChemInform Abstract: Conformational Study of Gramicidin D in Organic Solvents in the Presence of Cations Using Vibrational Circular Dichroism. Cheminform. 33: no-no. DOI: 10.1002/chin.200239295 |
0.396 |
|
| 2010 |
POLAVARAPU PL, BOSE PK. ChemInform Abstract: Ab initio Localized MO Predictions of Vibrational Circular Dichroism: trans-1,2-Dideuteriocyclopropane. Cheminform. 22: no-no. DOI: 10.1002/chin.199121053 |
0.416 |
|
| 2010 |
POLAVARAPU PL, BOSE PK, PICKARD ST. ChemInform Abstract: Vibrational Circular Dichroism in Methylthiirane: Ab inito Localized MO Predictions and Experimental Measurements. Cheminform. 22: no-no. DOI: 10.1002/chin.199115032 |
0.413 |
|
| 2009 |
Polavarapu PL, Nafie LA, Berova N. Special issue "advances in chiroptical methods". Chirality. 21: E2-3. PMID 20120023 DOI: 10.1002/Chir.20826 |
0.529 |
|
| 2009 |
Polavarapu PL, Jeirath N, Kurtán T, Pescitelli G, Krohn K. Determination of the absolute configurations at stereogenic centers in the presence of axial chirality. Chirality. 21: E202-7. PMID 19899152 DOI: 10.1002/Chir.20797 |
0.494 |
|
| 2009 |
Petrovic AG, Polavarapu PL, Mahalakshmi R, Balaram P. Characterization of folded conformations in a tetrapeptide containing two tryptophan residues by vibrational circular dichroism. Chirality. 21: E76-85. PMID 19750497 DOI: 10.1002/Chir.20779 |
0.763 |
|
| 2009 |
Polavarapu PL, Petrovic AG, Vick SE, Wulff WD, Ren H, Ding Z, Staples RJ. Absolute configuration of 3,3'-diphenyl-[2,2'-binaphthalene]-1,1'-diol revisited. The Journal of Organic Chemistry. 74: 5451-7. PMID 19572500 DOI: 10.1021/Jo901013Z |
0.699 |
|
| 2009 |
Polavarapu PL, Jeirath N, Walia S. Conformational sensitivity of chiroptical spectroscopic methods: 6,6'-dibromo-1,1'-bi-2-naphthol. The Journal of Physical Chemistry. A. 113: 5423-31. PMID 19366240 DOI: 10.1021/Jp811055Y |
0.553 |
|
| 2009 |
Shanmugam G, Polavarapu PL. Structural transition during thermal denaturation of collagen in the solution and film states. Chirality. 21: 152-9. PMID 18698637 DOI: 10.1002/Chir.20598 |
0.437 |
|
| 2008 |
Petrovic AG, Polavarapu PL, Drabowicz J, Lyzwa P, Mikołajczyk M, Wieczorek W, Balińska A. Diastereomers of N-alpha-phenylethyl-t-butylsulfinamide: absolute configurations and predominant conformations. The Journal of Organic Chemistry. 73: 3120-9. PMID 18341347 DOI: 10.1021/Jo702544G |
0.673 |
|
| 2008 |
Petrovic AG, Polavarapu PL. Quadruplex structure of polyriboinosinic acid: dependence on alkali metal ion concentration, pH and temperature. The Journal of Physical Chemistry. B. 112: 2255-60. PMID 18225882 DOI: 10.1021/Jp075873V |
0.662 |
|
| 2008 |
Petrovic AG, Polavarapu PL. The quadruplex-duplex structural transition of polyriboguanylic acid. The Journal of Physical Chemistry. B. 112: 2245-54. PMID 18225881 DOI: 10.1021/Jp0758723 |
0.679 |
|
| 2008 |
Petrovic AG, Vick SE, Polavarapu PL. Determination of the absolute stereochemistry of chiral biphenanthryls in solution phase using chiroptical spectroscopic methods: 2,2'-Diphenyl-[3,3'-biphenanthrene]-4,4'-diol. Chirality. 20: 501-10. PMID 17963199 DOI: 10.1002/Chir.20490 |
0.722 |
|
| 2008 |
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. 94: 1359-66. PMID 17933877 DOI: 10.1529/Biophysj.107.114389 |
0.382 |
|
| 2008 |
Polavarapu PL. Why is it important to simultaneously use more than one chiroptical spectroscopic method for determining the structures of chiral molecules? Chirality. 20: 664-72. PMID 17924421 DOI: 10.1002/Chir.20475 |
0.499 |
|
| 2008 |
He J, Petrovic AG, Dzyuba SV, Berova N, Nakanishi K, Polavarapu PL. Spectroscopic investigation of Ginkgo biloba terpene trilactones and their interaction with amyloid peptide Abeta(25-35). Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 69: 1213-22. PMID 17693130 DOI: 10.1016/J.Saa.2007.06.030 |
0.705 |
|
| 2008 |
Polavarapu P, Melander H, Langer V, Gogoll A, Grennberg H. Modulation and binding properties of extended glycoluril molecular clips New Journal of Chemistry. 32: 643-651. DOI: 10.1039/B715208F |
0.388 |
|
| 2008 |
Petrovic AG, Polavarapu PL, Drabowicz J, Łyzwa P, Mikołajczyk M, Wieczorek W, Balińska A. Diastereomers of N-α-phenylethyl-t-butylsulfinamide: Absolute configurations and predominant conformations Journal of Organic Chemistry. 73: 3120-3129. DOI: 10.1021/jo702544g |
0.657 |
|
| 2008 |
Shanmugam G, Polavarapu PL. Concentration- and dehydration-dependent structural transitions in poly-l-lysine Journal of Molecular Structure. 890: 144-149. DOI: 10.1016/J.Molstruc.2008.04.059 |
0.381 |
|
| 2007 |
Petrovic AG, Polavarapu PL. Chiroptical spectroscopic determination of molecular structures of chiral sulfinamides: t-butanesulfinamide. The Journal of Physical Chemistry. A. 111: 10938-43. PMID 17924612 DOI: 10.1021/Jp075077P |
0.713 |
|
| 2007 |
Gogoll A, Polavarapu P, Grennberg H. Enhanced silver ion binding to a rigid bisarene molecular cleft with formation of nonpolar pleated sheets through non-ionic intermolecular forces Inorganic Chemistry. 46: 5271-5275. PMID 17521184 DOI: 10.1021/Ic070222Z |
0.352 |
|
| 2007 |
Polavarapu PL. Renaissance in chiroptical spectroscopic methods for molecular structure determination. Chemical Record (New York, N.Y.). 7: 125-36. PMID 17394174 DOI: 10.1002/Tcr.20117 |
0.477 |
|
| 2007 |
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. 46: 1535-7. PMID 17269764 DOI: 10.1021/Ic062263L |
0.663 |
|
| 2007 |
Zhang P, Polavarapu PL. Spectroscopic investigation of the structures of dialkyl tartrates and their cyclodextrin complexes. The Journal of Physical Chemistry. A. 111: 858-71. PMID 17266226 DOI: 10.1021/Jp065847H |
0.506 |
|
| 2007 |
Zhang P, Polavarapu PL, Huang J, Li T. Spectroscopic rationalization of the separation abilities of decaproline chiral selector in dichloromethane-isopropanol solvent mixture. Chirality. 19: 99-105. PMID 17096376 DOI: 10.1002/Chir.20350 |
0.477 |
|
| 2007 |
Tang HZ, Garland ER, Novak BM, He J, Polavarapu PL, Sun FC, Sheiko SS. Helical polyguanidines prepared by helix-sense-selective polymerizations of achiral carbodiimides using enantiopure binaphthol-based titanium catalysts Macromolecules. 40: 3575-3580. DOI: 10.1021/Ma0618777 |
0.58 |
|
| 2007 |
Drabowicz J, Zaja̧c A, Krasowska D, Bujnicki B, Dudziński B, Janicka M, Mikołajczyk M, Chmielewski M, Czarnocki Z, Gawroński J, Polavarapu PL, Wieczorek MW, Marciniak B, Sokołowska-Rózycka E. Chiral sulfur-containing structures: Selected synthetic and structural aspects Heteroatom Chemistry. 18: 527-536. DOI: 10.1002/Hc.20335 |
0.476 |
|
| 2006 |
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. The Journal of Physical Chemistry. B. 110: 22826-33. PMID 17092034 DOI: 10.1021/jp063221l |
0.671 |
|
| 2006 |
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. 18: 723-32. PMID 16856171 DOI: 10.1002/Chir.20310 |
0.684 |
|
| 2006 |
Zhang P, Polavarapu PL. Vibrational circular dichroism of matrix-assisted amino acid films in the mid-infrared region. Applied Spectroscopy. 60: 378-85. PMID 16613633 DOI: 10.1366/000370206776593807 |
0.425 |
|
| 2006 |
Polavarapu PL. Protocols for the analysis of theoretical optical rotations. Chirality. 18: 348-56. PMID 16557526 DOI: 10.1002/Chir.20265 |
0.423 |
|
| 2006 |
Shanmugam G, Polavarapu PL. Structures of intact glycoproteins from vibrational circular dichroism. Proteins. 63: 768-76. PMID 16498615 DOI: 10.1002/Prot.20884 |
0.448 |
|
| 2006 |
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. 62. DOI: 10.1107/S1600536805041048 |
0.404 |
|
| 2006 |
Polavarapu PL. Determination of molecular stereochemistry using optical rotatory dispersion, vibrational circular dichroism and vibrational Raman optical activity Chiral Analysis. 461-504. DOI: 10.1016/B978-044451669-5/50014-4 |
0.438 |
|
| 2006 |
Polavarapu PL. Quantum mechanical predictions of chiroptical vibrational properties International Journal of Quantum Chemistry. 106: 1809-1814. DOI: 10.1002/Qua.20942 |
0.511 |
|
| 2005 |
He J, Polavarapu PL. Determination of Intermolecular Hydrogen Bonded Conformers of α-Aryloxypropanoic Acids Using Density Functional Theory Predictions of Vibrational Absorption and Vibrational Circular Dichroism Spectra. Journal of Chemical Theory and Computation. 1: 506-14. PMID 26641517 DOI: 10.1021/Ct049905J |
0.668 |
|
| 2005 |
Polavarapu PL. Kramers-Kronig transformation for optical rotatory dispersion studies. The Journal of Physical Chemistry. A. 109: 7013-23. PMID 16834064 DOI: 10.1021/Jp0524328 |
0.423 |
|
| 2005 |
Petrovic AG, Polavarapu PL. Structural transitions in polyriboadenylic acid induced by the changes in pH and temperature: vibrational circular dichroism study in solution and film states. The Journal of Physical Chemistry. B. 109: 23698-705. PMID 16375350 DOI: 10.1021/Jp054280M |
0.689 |
|
| 2005 |
Polavarapu PL, He J, Crassous J, Ruud K. Absolute configuration of C76 from optical rotatory dispersion. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 2535-40. PMID 16270369 DOI: 10.1002/Cphc.200500171 |
0.64 |
|
| 2005 |
Mahalakshmi R, Shanmugam G, Polavarapu PL, Balaram P. Circular dichroism of designed peptide helices and beta-hairpins: analysis of Trp- and Tyr-rich peptides. Chembiochem : a European Journal of Chemical Biology. 6: 2152-8. PMID 16261550 DOI: 10.1002/Cbic.200500152 |
0.515 |
|
| 2005 |
Tang HZ, Novak BM, He J, Polavarapu PL. A thermal and solvocontrollable cylindrical nanoshutter based on a single screw-sense helical polyguanidine. Angewandte Chemie (International Ed. in English). 44: 7298-301. PMID 16224757 DOI: 10.1002/Anie.200501977 |
0.536 |
|
| 2005 |
Shanmugam G, Polavarapu PL, Hallgas B, Majer Z. Effect of D-amino acids at Asp23 and Ser26 residues on the conformational preference of Abeta20-29 peptides. Biochemical and Biophysical Research Communications. 335: 712-22. PMID 16091285 DOI: 10.1016/J.Bbrc.2005.07.136 |
0.392 |
|
| 2005 |
Shanmugam G, Polavarapu PL, Kendall A, Stubbs G. Structures of plant viruses from vibrational circular dichroism. The Journal of General Virology. 86: 2371-7. PMID 16033985 DOI: 10.1099/Vir.0.81055-0 |
0.456 |
|
| 2005 |
Shanmugam G, Polavarapu PL. Film techniques for vibrational circular dichroism measurements. Applied Spectroscopy. 59: 673-81. PMID 15969814 DOI: 10.1366/0003702053945930 |
0.375 |
|
| 2005 |
Petrovic AG, He J, Polavarapu PL, Xiao LS, Armstrong DW. Absolute configuration and predominant conformations of 1,1-dimethyl-2-phenylethyl phenyl sulfoxide. Organic & Biomolecular Chemistry. 3: 1977-81. PMID 15889181 DOI: 10.1039/B501220A |
0.766 |
|
| 2005 |
Petrovic AG, Polavarapu PL, Drabowicz J, Zhang Y, McConnell OJ, Duddeck H. Absolute configuration of C2-symmetric spiroselenurane: 3,3,3',3'-tetramethyl-1,1'-spirobi[3 H,2,1]benzoxaselenole. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 4257-62. PMID 15864799 DOI: 10.1002/Chem.200401331 |
0.713 |
|
| 2005 |
He J, 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. 61: 1327-34. PMID 15820866 DOI: 10.1016/J.Saa.2004.09.015 |
0.687 |
|
| 2005 |
Gáti T, Tóth G, Drabowicz J, Moeller S, Hofer E, Polavarapu P, Duddeck H. Effective enantiodifferentiation of spirochalcogenuranes by the dirhodium method: Towards the determination of absolute configurations? Chirality. 17: 40-47. PMID 15736171 DOI: 10.1002/Chir.20103 |
0.427 |
|
| 2005 |
Shanmugam G, Polavarapu PL, Gopinath D, Jayakumar R. The structure of antimicrobial pexiganan peptide in solution probed by Fourier transform infrared absorption, vibrational circular dichroism, and electronic circular dichroism spectroscopy. Biopolymers. 80: 636-42. PMID 15657879 DOI: 10.1002/Bip.20132 |
0.465 |
|
| 2005 |
He J, Wang F, Polavarapu PL. Absolute configurations of chiral herbicides determined from vibrational circular dichroism. Chirality. 17: S1-8. PMID 15612041 DOI: 10.1002/Chir.20096 |
0.671 |
|
| 2005 |
Drabowicz J, Łuczak J, Łyzwa P, Kiełbasiński P, Mikołajczyk 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. 180: 741-753. DOI: 10.1080/10426500590907507 |
0.275 |
|
| 2005 |
Tang HZ, Novak BM, He J, Polavarapu PL. A thermal and solvocontrollable cylindrical nanoshutter based on a single screw-sense helical polyguanidine Angewandte Chemie - International Edition. 44: 7298-7301. DOI: 10.1002/anie.200501977 |
0.487 |
|
| 2004 |
Petrovic AG, Bose PK, Polavarapu PL. Vibrational circular dichroism of carbohydrate films formed from aqueous solutions. Carbohydrate Research. 339: 2713-20. PMID 15519330 DOI: 10.1016/J.Carres.2004.09.014 |
0.664 |
|
| 2004 |
Shanmugam G, Polavarapu PL. Vibrational circular dichroism spectra of protein films: thermal denaturation of bovine serum albumin. Biophysical Chemistry. 111: 73-7. PMID 15450377 DOI: 10.1016/J.Bpc.2004.04.005 |
0.429 |
|
| 2004 |
Shanmugam G, Polavarapu PL. Vibrational circular dichroism of protein films. Journal of the American Chemical Society. 126: 10292-5. PMID 15315442 DOI: 10.1021/Ja048343A |
0.414 |
|
| 2004 |
Wang F, Zhao C, Polavarapu PL. A study of the conformations of valinomycin in solution phase. Biopolymers. 75: 85-93. PMID 15307200 DOI: 10.1002/Bip.20103 |
0.554 |
|
| 2004 |
Shanmugam G, Polavarapu PL. Structure of A beta(25-35) peptide in different environments. Biophysical Journal. 87: 622-30. PMID 15240495 DOI: 10.1529/Biophysj.104.040907 |
0.394 |
|
| 2004 |
He J, Petrovic AG, Polavarapu PL. Determining the conformer populations of (R)-(+)-3-methylcyclopentanone using vibrational absorption, vibrational circular dichroism, and specific rotation Journal of Physical Chemistry B. 108: 20451-20457. DOI: 10.1021/Jp048117N |
0.778 |
|
| 2004 |
Wang F, Polavarapu PL, Drabowicz J, Kiełbasinski P, Potrzebowski MJ, Mikołajczyk M, Wieczorek MW, Majzner WW, Łazewska I. Solution and crystal structures of chiral molecules can be significantly different: Tert-butylphenylphosphinoselenoic acid Journal of Physical Chemistry A. 108: 2072-2079. DOI: 10.1021/Jp031270H |
0.53 |
|
| 2004 |
He J, Petrovich A, Polavarapu PL. Quantitative Determination of Conformer Populations: Assessment of Specific Rotation, Vibrational Absorption, and Vibrational Circular Dichroism in Substituted Butynes Journal of Physical Chemistry A. 108: 1671-1680. DOI: 10.1021/Jp030889G |
0.698 |
|
| 2004 |
Polavarapu PL, He J. Peer Reviewed: Chiral Analysis Using Mid-IR Vibrational CD Spectroscopy Analytical Chemistry. 76: 61 A-67 A. DOI: 10.1021/Ac0415096 |
0.615 |
|
| 2004 |
Roda G, Conti P, De Amici M, He J, Polavarapu PL, De Micheli C. Enantiopure stereoisomeric homologues of glutamic acid: Chemoenzymatic synthesis and assignment of their absolute configurations Tetrahedron Asymmetry. 15: 3079-3090. DOI: 10.1016/J.Tetasy.2004.07.037 |
0.596 |
|
| 2004 |
Crassous J, Jiang Z, Schurig V, Polavarapu PL. Preparation of (+)-chlorofluoroiodomethane, determination of its enantiomeric excess and of its absolute configuration Tetrahedron Asymmetry. 15: 1995-2001. DOI: 10.1016/J.Tetasy.2004.06.006 |
0.438 |
|
| 2004 |
Polavarapu PL, He J. A Chiral Analysis Using Mid-IR Vibrational CD Spectroscopy Analytical Chemistry. 76. |
0.442 |
|
| 2003 |
Wang F, Polavarapu PL. Conformational analysis of melittin in solution phase: vibrational circular dichroism study. Biopolymers. 70: 614-9. PMID 14648771 DOI: 10.1002/Bip.10504 |
0.483 |
|
| 2003 |
Polavarapu PL, Petrovic A, Wang F. Intrinsic rotation and molecular structure. Chirality. 15: S143-9. PMID 12884385 DOI: 10.1002/Chir.10255 |
0.665 |
|
| 2002 |
Polavarapu PL. The absolute configuration of bromochlorofluoromethane. Angewandte Chemie (International Ed. in English). 41: 4544-6. PMID 12458533 DOI: 10.1002/1521-3773(20021202)41:23<4544::Aid-Anie4544>3.0.Co;2-S |
0.397 |
|
| 2002 |
Blodgett J, Wang Y, Li T, Polavarapu PL, Drabowicz J, Pietrusiewicz KM, Zygo K. Resolution of tert-butyl-1-(2-methyinaphthyl)phosphine oxide using selectors identified from a chemical combinatorial library. Analytical Chemistry. 74: 5212-6. PMID 12403573 DOI: 10.1021/Ac0203443 |
0.374 |
|
| 2002 |
Polavarapu PL. Optical rotation: recent advances in determining the absolute configuration. Chirality. 14: 768-81. PMID 12395394 DOI: 10.1002/Chir.10145 |
0.431 |
|
| 2002 |
Lebon F, Longhi G, Abbate S, Catellani M, Wang F, Polavarapu PL. Circular dichroism spectra of regioregular poly[3 [(S)-2-methylbutyl]-thiophene] and of poly[3,4-di[(S)-2-methylbutyl]-thiophene]. Enantiomer. 7: 207-12. PMID 12206500 DOI: 10.1080/10242430212881 |
0.408 |
|
| 2002 |
Wang F, Wang Y, Polavarapu PL, Li T, Drabowicz J, Pietrusiewicz KM, Zygo K. Absolute configuration of tert-butyl-1-(2-methylnaphthyl)phosphine oxide. The Journal of Organic Chemistry. 67: 6539-41. PMID 12201778 DOI: 10.1021/jo025908h |
0.466 |
|
| 2002 |
Wang F, Polavarapu PL, Schurig V, Schmidt R. Absolute configuration and conformational analysis of a degradation product of inhalation anesthetic Sevoflurane: A vibrational circular dichroism study. Chirality. 14: 618-24. PMID 12125030 DOI: 10.1002/Chir.10106 |
0.518 |
|
| 2002 |
Polavarapu PL, Bose PK, Rilling AJ, Buijs H, Roy JR. Development and evaluation of a polarization-division interferometer with cube corner mirrors Applied Spectroscopy. 56: 1626-1632. DOI: 10.1366/000370202321116129 |
0.394 |
|
| 2002 |
Wang F, Polavarapu PL, Lebon F, Longhi G, Abbate S, Catellani M. Conformational analysis of (S)-(+)-1-bromo-2-methylbutane and the influence of bromine on conformational stability Journal of Physical Chemistry A. 106: 12365-12369. DOI: 10.1021/Jp021422T |
0.513 |
|
| 2002 |
Wang F, Polavarapu PL, Lebon F, Longhi G, Abbate S, Catellani M. Absolute configuration and conformational stability of (S)-(+)-3-(2-methylbutyl)thiophene and (+)-3,4-Di[(S)-2-methylbutyl]thiophene and their polymers Journal of Physical Chemistry A. 106: 5918-5923. DOI: 10.1021/Jp014623Q |
0.517 |
|
| 2002 |
Zhao C, Polavarapu PL. Conformational study of gramicidin D in organic solvents in the presence of cations using vibrational circular dichroism Acs Symposium Series. 810: 89-101. |
0.416 |
|
| 2001 |
Zhao C, Polavarapu PL. Vibrational circular dichroism of gramicidin D in vesicles and micelles Biopolymers - Biospectroscopy Section. 62: 336-340. PMID 11857272 DOI: 10.1002/Bip.10004 |
0.455 |
|
| 2001 |
Wang F, Polavarapu PL, Drabowicz J, Mikolajczyk M, Łyzwa P. Absolute configurations, predominant conformations, and tautomeric structures of enantiomeric tert-butylphenylphosphinothioic acid Journal of Organic Chemistry. 66: 9015-9019. PMID 11749636 DOI: 10.1021/Jo0107406 |
0.508 |
|
| 2001 |
Wang F, Wang H, Polavarapu PL, Rizzo CJ. Absolute configuration and conformational stability of (+)-2,5-dimethylthiolane and (-)-2,5-dimethylsulfolane Journal of Organic Chemistry. 66: 3507-3512. PMID 11348137 DOI: 10.1021/Jo0100401 |
0.461 |
|
| 2001 |
Drabowicz J, Dudziński B, Mikolajczyk M, Wang F, Dehlavi A, Goring J, Park M, Rizzo CJ, Polavarapu PL, Biscarini P, Wieczorek MW, Majzner WR. Absolute configuration, predominant conformations, and vibrational circular dichroism spectra of enantiomers of n-butyl tert-butyl sulfoxide Journal of Organic Chemistry. 66: 1122-1129. PMID 11312938 DOI: 10.1021/Jo0011179 |
0.524 |
|
| 2001 |
Zhao C, Polavarapu PL. Comparative evaluation of vibrational circular dichroism and optical rotation for determination of enantiomeric purity Applied Spectroscopy. 55: 913-918. DOI: 10.1366/0003702011952721 |
0.486 |
|
| 2001 |
Wang F, Polavarapu PL. Predominant conformations of (2R,3R)-(-)-2,3-butanediol Journal of Physical Chemistry A. 105: 6991-6997. DOI: 10.1021/Jp010550Z |
0.512 |
|
| 2001 |
Wang F, Polavarapu PL. Temperature influence on the secondary structure of avidin and avidin-biotin complex: A vibrational circular dichroism study Journal of Physical Chemistry B. 105: 7857-7864. DOI: 10.1021/Jp0104177 |
0.485 |
|
| 2001 |
Lebon F, Longhi G, Abbate S, Catellani M, Zhao C, Polavarapu PL. Vibrational circular dichroism spectra of chirally substituted polythiophenes Synthetic Metals. 119: 75-76. DOI: 10.1016/S0379-6779(00)00719-0 |
0.5 |
|
| 2000 |
Polavarapu PL, Zhao C. Vibrational circular dichroism: A new spectroscopic tool for biomolecular structural determination Fresenius' Journal of Analytical Chemistry. 366: 727-734. PMID 11225783 DOI: 10.1007/S002160051566 |
0.471 |
|
| 2000 |
Bose PK, Polavarapu PL. Evidence for covalent binding between copper ions and cyclodextrin cavity: a vibrational circular dichroism study. Carbohydrate Research. 323: 63-72. PMID 10782287 DOI: 10.1016/S0008-6215(99)00266-9 |
0.444 |
|
| 2000 |
Wang F, Polavarapu PL. Vibrational circular dichroism, predominant conformations, and hydrogen bonding in (S)-(-)-3-butyn-2-ol Journal of Physical Chemistry A. 104: 1822-1826. DOI: 10.1021/Jp992576K |
0.567 |
|
| 2000 |
Wang F, Polavarapu PL. Vibrational circular dichroism: Predominant conformations and intermolecular interactions in (R)-(-)-2-butanol Journal of Physical Chemistry A. 104: 10683-10687. DOI: 10.1021/Jp0022914 |
0.567 |
|
| 2000 |
Wang F, Polavarapu PL. Conformational stability of (+)-epichlorohydrin Journal of Physical Chemistry A. 104: 6189-6196. DOI: 10.1021/Jp000757C |
0.537 |
|
| 2000 |
Wang F, Polavarapu PL, Drabowicz J, Mikolajczyk M. Absolute configurations, predominant conformations and tautomeric structures of enantiomeric tert-butylphenylphosphine oxides Journal of Organic Chemistry. 65: 7561-7565. DOI: 10.1021/jo000923c |
0.423 |
|
| 2000 |
Zhao C, Polavarapu PL, Das C, Balaram P. Vibrational circular dichroism of β-hairpin peptides Journal of the American Chemical Society. 122: 8228-8231. DOI: 10.1021/Ja000451J |
0.581 |
|
| 2000 |
Zhao C, Polavarapu PL, Grosenick H, Schurig V. Vibrational circular dichroism, absolute configuration and predominant conformations of volatile anesthetics: Enflurane Journal of Molecular Structure. 550: 105-115. DOI: 10.1016/S0022-2860(00)00515-9 |
0.542 |
|
| 2000 |
Polavarapu PL, Chakraborty DK, Ruud K. Molecular optical rotation: An evaluation of semiempirical models Chemical Physics Letters. 319: 595-600. DOI: 10.1016/S0009-2614(00)00157-3 |
0.445 |
|
| 1999 |
Polavarapu PL, Zhao C, Cholli AL, Vernice GG. Vibrational Circular Dichroism, Absolute Configuration, and Predominant Conformations of Volatile Anesthetics: Desflurane The Journal of Physical Chemistry B. 103: 6127-6132. DOI: 10.1021/jp990550n |
0.455 |
|
| 1999 |
Zhao C, Polavarapu PL. Vibrational circular dichroism is an incisive structural probe: Ion- induced structural changes in gramicidin D [19] Journal of the American Chemical Society. 121: 11259-11260. DOI: 10.1021/Ja992778U |
0.44 |
|
| 1999 |
Bose PK, Polavarapu PL. Vibrational circular dichroism is a sensitive probe of the glycosidic linkage: Oligosaccharides of glucose Journal of the American Chemical Society. 121: 6094-6095. DOI: 10.1021/Ja990928V |
0.429 |
|
| 1999 |
Polavarapu PL, Zhao C. Ab initio predictions of anomalous optical rotatory dispersion [1] Journal of the American Chemical Society. 121: 246-247. DOI: 10.1021/Ja9828556 |
0.414 |
|
| 1999 |
Polavarapu PL, Zhao C, Ramig K. Vibrational circular dichroism, absolute configuration and predominant conformations of volatile anesthetics: 1,2,2,2-tetrafluoroethyl methyl ether Tetrahedron Asymmetry. 10: 1099-1106. DOI: 10.1016/S0957-4166(99)00089-0 |
0.537 |
|
| 1999 |
Bose PK, Polavarapu PL. Acetate groups as probes of the stereochemistry of carbohydrates: A vibrational circular dichroism study Carbohydrate Research. 322: 135-141. DOI: 10.1016/S0008-6215(99)00211-6 |
0.451 |
|
| 1999 |
Bose PK, Polavarapu PL. Vibrational circular dichroism of monosaccharides Carbohydrate Research. 319: 172-183. DOI: 10.1016/S0008-6215(99)00123-8 |
0.526 |
|
| 1999 |
Zhao C, Polavarapu PL. Vibrational circular dichroism of gramicidin D in organic solvents Biospectroscopy. 5: 276-283. DOI: 10.1002/(Sici)1520-6343(1999)5:5<276::Aid-Bspy2>3.0.Co;2-8 |
0.458 |
|
| 1999 |
Zhao C, Polavarapu PL. Vibrational circular dichroism of gramicidin D in organic solvents Biospectroscopy. 5: 276-283. DOI: 10.1002/(SICI)1520-6343(1999)5:5<276::AID-BSPY2>3.0.CO;2-8 |
0.361 |
|
| 1999 |
Polavarapu PL, Zhao C, Cholli AL, Vernice GG. Vibrational Circular Dichroism, Absolute Configuration, and Predominant Conformations of Volatile Anesthetics: Desflurane Journal of Physical Chemistry B. 103: 6127-6132. |
0.496 |
|
| 1999 |
Polavarapu PL, Chakraborty DK. Ab initio theoretical optical rotations of small molecules Chemical Physics. 240: 1-8. |
0.379 |
|
| 1998 |
Polavarapu PL, Chakraborty DK. Absolute stereochemistry of chiral molecules from ab initio theoretical and experimental molecular optical rotations Journal of the American Chemical Society. 120: 6160-6164. DOI: 10.1021/Ja980838A |
0.494 |
|
| 1998 |
Polavarapu PL, Zhao C. A comparison of ab initio optical rotations obtained with static and dynamic methods Chemical Physics Letters. 296: 105-110. DOI: 10.1016/S0009-2614(98)01009-4 |
0.452 |
|
| 1998 |
Polavarapu PL, Zhao C. A comparison of ab initio optical rotations obtained with static and dynamic methods Chemical Physics Letters. 296: 105-110. DOI: 10.1016/S0009-2614(98)01009-4 |
0.334 |
|
| 1997 |
Polavarapu PL. Double polarization modulation interferometry Applied Spectroscopy. 51: 770-777. DOI: 10.1366/0003702971941197 |
0.36 |
|
| 1997 |
Polavarapu PL. Ab initio molecular optical rotations and absolute configurations Molecular Physics. 91: 551-554. DOI: 10.1080/00268979709482744 |
0.479 |
|
| 1997 |
Polavarapu PL. Molecular optical rotations and structures Tetrahedron Asymmetry. 8: 3397-3401. DOI: 10.1016/S0957-4166(97)00453-9 |
0.496 |
|
| 1997 |
Costante J, Hecht L, Polavarapu PL, Collet A, Barron LD. Absolute Configuration of Bromochlorofluoromethane from Experimental and Ab Initio Theoretical Vibrational Raman Optical Activity Angewandte Chemie (International Edition in English). 36. DOI: 10.1002/Anie.199708851 |
0.562 |
|
| 1997 |
Costante J, Hecht L, Polavarapu PL, Collet A, Barron LD. Die absolute Konfiguration von Bromchlorfluormethan aus experimentellen und mit ab-initio-Methoden berechneten Daten des optisch-aktiven Raman-Effekts Angewandte Chemie. 109: 917-919. DOI: 10.1002/Ange.19971090829 |
0.42 |
|
| 1997 |
Costante J, Hecht L, Polavarapu PL, Collet A, Barron LD. Absolute Configuration of Bromochlorofluoromethane from Experimental and Ab Initio Theoretical Vibrational Raman Optical Activity Angewandte Chemie (International Edition in English). 36: X-887. |
0.459 |
|
| 1996 |
Polavarapu PL, Deng Z. Differential polarized reflectance spectroscopy at air/water and air/metal interfaces Applied Spectroscopy. 50: 91-97. DOI: 10.1366/0003702963906807 |
0.383 |
|
| 1996 |
Polavarapu PL, Deng Z, Weibel S. Polarization-division beamsplitters with KBr and KRS-5 substrates for fourier transform infrared spectroscopy Applied Spectroscopy. 50: 98-101. DOI: 10.1366/0003702963906672 |
0.408 |
|
| 1996 |
Polavarapu PL, Deng Z. Measurement of vibrational circular dichroism below ∼600 cm-1: Progress towards meeting the challenge Applied Spectroscopy. 50: 686-692. DOI: 10.1366/0003702963905826 |
0.438 |
|
| 1996 |
Polavarapu PL. Vibrational optical activity of anharmonic oscillator Molecular Physics. 89: 1503-1510. DOI: 10.1080/00268979609482553 |
0.443 |
|
| 1996 |
Deng Z, Polavarapu PL, Ford SJ, Hecht L, Barron LD, Ewig CS, Jalkanen K. Solution-phase conformations of N-acetyl-N-methyl-L-alaninamide from vibrational Raman optical activity Journal of Physical Chemistry. 100: 2025-2034. DOI: 10.1021/Jp951865F |
0.543 |
|
| 1995 |
Polavarapu PL, Deng Z, Chen G. Polarization-Division Interferometry: Time-Resolved Infrared Vibrational Dichroism Spectroscopy Applied Spectroscopy. 49: 229-236. DOI: 10.1366/0003702953963797 |
0.444 |
|
| 1995 |
Yu GS, Freedman TB, Nafie LA, Deng Z, Polavarapu PL. Experimental measurement and ab initio calculation of Raman optical activity of L-alanine and its deuterated isotopomers Journal of Physical Chemistry. 99: 835-843. DOI: 10.1021/J100002A055 |
0.665 |
|
| 1994 |
Polavarapu PL, Chen G, Deng Z. Polarization-Division Interferometry: Approach for Biomedical Infrared Imaging Applied Spectroscopy. 48: 1403-1409. DOI: 10.1366/0003702944028128 |
0.435 |
|
| 1994 |
Polavarapu PL, Chen G. Polarization-Division Interferometry: Far-Infrared Dichroism Applied Spectroscopy. 48: 1410-1418. DOI: 10.1366/0003702944028119 |
0.401 |
|
| 1994 |
Polavarapu PL, Deng Z. Polarization-Division Interferometry: An Approach to Birefringence Measurements Applied Spectroscopy. 48: 1562-1564. DOI: 10.1366/0003702944027804 |
0.371 |
|
| 1994 |
Chen G, Polavarapu PL, Weibel S. New Design for Fourier Transform Infrared Vibrational Circular Dichroism Spectrometers Applied Spectroscopy. 48: 1218-1223. DOI: 10.1366/0003702944027499 |
0.435 |
|
| 1994 |
Polavarapu PL, Chen G, Weibel S. Development, Justification, and Applications of a Mid-Infrared Polarization-Division Interferometer Applied Spectroscopy. 48: 1224-1235. DOI: 10.1366/0003702944027381 |
0.392 |
|
| 1994 |
McKinlev JT, Coluzza C, Albridge RG, Baudat PA, Barnes AV, Dupuy C, Chen GC, Gozzo F, Davidson JL, Iilegems M, Languell ML, Martin D, Polavarapu PL, Morier-Genoud F, Smith JF, et al. Free-electron laser spectroscopy of semiconductors and interfaces From Tio2(110)-So2 Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 12: 2323-2326. DOI: 10.1116/1.579207 |
0.374 |
|
| 1994 |
Polavarapu PL, Deng Z. Structural determinations using vibrational Raman optical activity: From a single peptide group to β-turns Faraday Discussions. 99: 151-163. DOI: 10.1039/FD9949900151 |
0.431 |
|
| 1994 |
Pickard ST, Smith HE, Polavarapu PL, Black TM, Rauk A, Yang D. Synthesis, experimental, and ab initio theoretical vibrational circular dichroisn, and absolute configurations of substituted oxiranes. [Erratum to document cited in CA117:89644] Journal of the American Chemical Society. 116: 4529-4529. DOI: 10.1021/Ja00089A076 |
0.463 |
|
| 1994 |
Polavarapu PL, Deng Z, Ewig CS. Vibrational properties of the peptide group: Achiral and chiral conformers of N-methylacetamide Journal of Physical Chemistry. 98: 9919-9930. DOI: 10.1021/J100090A028 |
0.569 |
|
| 1994 |
McKinley JT, Albridge RG, Barnes AV, Baudat PA, Chen GC, Coluzza C, Davidson JL, Dupuy C, Gozzo F, Illegems M, Languell ML, Martin D, Morier-Genoud F, Polavarapu PL, Rudra A, et al. Free-electron lasers and semiconductor physics: first results on nonlinear optics, interfaces, and desorption Nuclear Inst. and Methods in Physics Research, A. 341: 156-161. DOI: 10.1016/0168-9002(94)90338-7 |
0.392 |
|
| 1993 |
Polavarapu PL, Pickard ST, Smith HE, Black TM, Barron LD, Hecht L. Determination of absolute configurations from vibrational raman optical activity: (trans)-2,3-dimethylthiirane. Talanta. 40: 545-9. PMID 18965664 DOI: 10.1016/0039-9140(93)80015-J |
0.551 |
|
| 1993 |
Polavarapu P. Pretraining for international medical graduates. Annals of Internal Medicine. 118: 397; author reply 39. PMID 8430993 DOI: 10.7326/0003-4819-118-5-199303010-00026 |
0.164 |
|
| 1993 |
Polavarapu PL, Cholli AL, Vernice G. Determination of absolute configurations and predominant conformations of general inhalation anesthetics: Desflurane Journal of Pharmaceutical Sciences. 82: 791-793. PMID 8377115 DOI: 10.1002/Jps.2600820807 |
0.434 |
|
| 1993 |
Polavarapu PL, Black TM, Barron LD, Hecht L. Vibrational Raman optical activity in (R)-(+)-3-methylcyclohexanone: Experimental and ab initio theoretical studies and the origins of the unusual couplets Journal of the American Chemical Society. 115: 7736-7742. DOI: 10.1021/Ja00070A018 |
0.556 |
|
| 1993 |
Polavarapu PL, Bose PK, Hecht L, Barron LD. Vibrational Raman optical activity in (R)-(+)-3-methylcyclopentanone: Experimental and ab initio theoretical studies Journal of Physical Chemistry. 97: 11211-11215. DOI: 10.1021/J100145A016 |
0.55 |
|
| 1993 |
Polavarapu PL, Hecht L, Barron LD. Vibrational Raman optical activity in substituted oxiranes Journal of Physical Chemistry. 97: 1793-1799. DOI: 10.1021/J100111A014 |
0.558 |
|
| 1993 |
Polavarapu PL, Pickard ST, Smith HE, Pandurangi RS. Determination of absolute configurations from vibrational circular dichroism: (+)-2-methylthiirane-3,3-d2 Talanta. 40: 687-690. DOI: 10.1016/0039-9140(93)80279-Z |
0.557 |
|
| 1993 |
Polavarapu PL, Pickard ST, Smith HE, Black TM, Barron LD, Hecht L. Determination of absolute configurations from vibrational raman optical activity: Trans-2,3-dimethylthiirane Talanta. 40: 545-549. DOI: 10.1016/0039-9140(93)80015-J |
0.478 |
|
| 1993 |
Polavarapu PL. Chiral force constants: Recommendations for the presentation of internal coordinate force constants Journal of Computational Chemistry. 14: 751-752. DOI: 10.1002/Jcc.540140617 |
0.38 |
|
| 1992 |
Hess BA, Cha JK, Schaad LJ, Polavarapu PL. Origin of the unusual infrared absorption band at .apprx.1600 cm-1 in 1,4-dioxaspiro[2.2]pentanes Journal of Organic Chemistry. 57: 6367-6368. DOI: 10.1021/Jo00049A063 |
0.41 |
|
| 1992 |
Polavarapu PL, Cholli AL, Vernice G. Absolute configuration of isoflurane Journal of the American Chemical Society. 114: 10953-10955. DOI: 10.1021/Ja00053A038 |
0.394 |
|
| 1992 |
Pickard ST, Smith HE, Polavarapu PL, Black TM, Rauk A, Yang D. Synthesis, experimental and ab initio theoretical vibrational circular dichroism, and absolute configurations of substituted oxiranes Journal of the American Chemical Society. 114: 6850-6857. DOI: 10.1021/Ja00043A033 |
0.554 |
|
| 1992 |
Barron LD, Hecht L, Polavarapu PL. Methyl torsion Raman optical activity in trans-2,3-dimethyloxirane and trans-2,3-dimethylthiirane Spectrochimica Acta Part a: Molecular Spectroscopy. 48: 1193-1195. DOI: 10.1016/0584-8539(92)80133-H |
0.425 |
|
| 1992 |
Barron LD, Gargaro AR, Hecht L, Polavarapu PL, Sugeta H. Experimental and ab initio theoretical vibrational Raman optical activity of tartaric acid Spectrochimica Acta Part a: Molecular Spectroscopy. 48: 1051-1066. DOI: 10.1016/0584-8539(92)80115-D |
0.524 |
|
| 1992 |
Barron LD, Gargaro AR, Hecht L, Polavarapu PL. Vibrational Raman optical activity of alanine as a function of pH Spectrochimica Acta Part a: Molecular Spectroscopy. 48: 261-263. DOI: 10.1016/0584-8539(92)80034-T |
0.462 |
|
| 1992 |
Polavarapu PL, Ewig CS. Ab Initio computed molecular structures and energies of the conformers of glucose Journal of Computational Chemistry. 13: 1255-1261. DOI: 10.1002/Jcc.540131009 |
0.408 |
|
| 1992 |
Hess BA, Cha JK, Schaad LJ, Polavarapu PL. Origin of the unusual infrared absorption band at ∼1600 cm-1 in 1,4-dioxaspiro[2.2]pentanes Journal of Organic Chemistry. 57: 6367-6368. |
0.311 |
|
| 1991 |
Polavarapu PL, Pickard ST, Smith HE, Black TM, Rauk A, Yang D. Vibrational circular dichroism and absolute configuration of substituted thiiranes Journal of the American Chemical Society. 113: 9747-9756. DOI: 10.1021/Ja00026A006 |
0.543 |
|
| 1991 |
Polavarapu PL, Bose PK, Pickard ST. Vibrational circular dichroism in methylthiirane: Ab initio localized molecular orbital predictions and experimental measurements Journal of the American Chemical Society. 113: 43-48. DOI: 10.1021/Ja00001A008 |
0.537 |
|
| 1991 |
Polavarapu PL, Bose PK. Ab initio localized molecular orbital predictions of vibrational circular dichroism: trans-1,2-Dideuteriocyclopropane Journal of Physical Chemistry. 95: 1606-1608. DOI: 10.1021/J100157A019 |
0.498 |
|
| 1991 |
Barron LD, Gargaro AR, Hecht L, Polavarapu PL. Experimental and ab initio theoretical vibrational Raman optical activity of alanine Spectrochimica Acta Part a: Molecular Spectroscopy. 47: 1001-1016. DOI: 10.1016/0584-8539(91)80031-D |
0.538 |
|
| 1991 |
Polavarapu PL. Tests of an approximate formula for the paramagnetic magnetizability Chemical Physics Letters. 179: 9-12. DOI: 10.1016/0009-2614(91)90283-F |
0.404 |
|
| 1991 |
Salzman WR, Polavarapu PL. Calculated rotational strengths and dissymmetry factors for rotational transitions of the chiral deuterated oxiranes, methyl- and dimethyl-oxirane, and methylthiirane Chemical Physics Letters. 179: 1-8. DOI: 10.1016/0009-2614(91)90282-E |
0.444 |
|
| 1990 |
Weibel S, Polavarapu PL. Development of an interferometer with interchangeable polarization and amplitude divisions for the 1000-10 cm-1 region Applied Spectroscopy. 44: 1369-1372. DOI: 10.1366/000370290789619595 |
0.395 |
|
| 1990 |
Polavarapu PL. Achromatic long wavelength polarization modulator Proceedings of Spie - the International Society For Optical Engineering. 1166: 472-477. DOI: 10.1117/12.962918 |
0.279 |
|
| 1990 |
Polavarapu PL, Bose PK. Ab initio localized molecular orbital predictions of vibrational circular dichroism: Trans‐2,3‐dideuterooxirane Journal of Chemical Physics. 93: 7524-7525. DOI: 10.1063/1.459381 |
0.494 |
|
| 1990 |
Black TM, Bose PK, Polavarapu PL, Barron LD, Hecht L. Vibrational optical activity in trans-2,3-dimethyloxirane Journal of the American Chemical Society. 112: 1479-1489. DOI: 10.1021/Ja00160A028 |
0.562 |
|
| 1990 |
Polavarapu PL. Ab initio vibrational Raman and Raman optical activity spectra Journal of Physical Chemistry. 94: 8106-8112. DOI: 10.1021/J100384A024 |
0.515 |
|
| 1990 |
Bose PK, Polavarapu PL, Barron LD, Hecht L. Ab initio and experimental Raman optical activity in (+)-(R)-methyloxirane Journal of Physical Chemistry. 94: 1734-1740. DOI: 10.1021/J100368A006 |
0.504 |
|
| 1990 |
Polavarapu PL. Sum rules for Cartesian polarizability derivative tensors Chemical Physics Letters. 174: 511-516. DOI: 10.1016/S0009-2614(90)87188-W |
0.403 |
|
| 1990 |
Polavarapu PL. Fourier Transform Raman spectroscopy with polarization modulation Spectrochimica Acta Part a: Molecular Spectroscopy. 46: 171-175. DOI: 10.1016/0584-8539(90)80087-F |
0.409 |
|
| 1990 |
Polavarapu PL, Quincey PG, Birch JR. Circular dichroism in the far infrared and millimetre wavelength regions: Preliminary measurements Infrared Physics. 30: 175-179. DOI: 10.1016/0020-0891(90)90028-T |
0.417 |
|
| 1990 |
Polavarapu PL. An approximate relation for paramagnetic magnetizability emerging from the sum rules for Cartesian magnetic dipole moment derivatives Chemical Physics Letters. 171: 271-276. DOI: 10.1016/0009-2614(90)85363-H |
0.381 |
|
| 1990 |
Bose PK, Polavarapu PL. Circular dichroism of the benzene group vibrations and molecular stereochemistry Structural Chemistry. 1: 205-209. DOI: 10.1007/Bf00674263 |
0.484 |
|
| 1990 |
Polavarapu PL, Bose PK. Ab initio localized molecular orbital predictions of vibrational circular dichroism: Trans-2,3-dideuterooxirane [9] The Journal of Chemical Physics. 93: 7524-7525. |
0.419 |
|
| 1989 |
Polavarapu PL. New developments in Fourier transform infrared vibrational circular dichroism measurements Applied Spectroscopy. 43: 1295-1297. DOI: 10.1366/0003702894204254 |
0.499 |
|
| 1989 |
Polavarapu PL. Spectroscopy with triangular modulation Proceedings of Spie - the International Society For Optical Engineering. 1145: 174-175. DOI: 10.1117/12.969412 |
0.233 |
|
| 1989 |
Bose PK, Henderson DO, Ewig CS, Polavarapu PL. Experimental and ab initio vibrational spectra of 1,2-dibromoethane, meso-1,2-dideuterio-1,2-dibromoethane, and chiral 1,2-dideuterio-1,2-dibromoethane Journal of Physical Chemistry. 93: 5070-5078. DOI: 10.1021/J100350A014 |
0.555 |
|
| 1989 |
Bose PK, Black TM, Polavarapu PL. Ab initio Raman spectra of oxirane Chemical Physics. 139: 409-414. DOI: 10.1016/0301-0104(89)80153-3 |
0.527 |
|
| 1989 |
Barron LD, Hecht L, Polavarapu PL. Polarized Raman optical activity in methyl antisymmetric deformations: Influence of heteroatom Rydberg orbitals Chemical Physics Letters. 154: 251-254. DOI: 10.1016/0009-2614(89)87458-5 |
0.445 |
|
| 1989 |
Bose PK, Barron LD, Polavarapu PL. Ab initio and experimental vibrational Raman optical activity in (+)-(R)-methylthiirane Chemical Physics Letters. 155: 423-429. DOI: 10.1016/0009-2614(89)87180-5 |
0.562 |
|
| 1989 |
Polavarapu PL. Rotational-vibrational circular dichroism Chemical Physics Letters. 161: 485-490. DOI: 10.1016/0009-2614(89)87025-3 |
0.53 |
|
| 1989 |
Polavarapu PL. Reply Ab initio vibrational raman spectra of small ring molecules: Examples that warrant reevaluation of a scaling theme Chemical Physics Letters. 163: 576-580. DOI: 10.1016/0009-2614(89)85190-5 |
0.554 |
|
| 1988 |
Swinson J, Field L, Heimer NE, Michalska D, Muccio DD, Polavarapu PL, Stone MP, Van Wazer JR. THIONO COMPOUNDS. 9. USE OF SPECTRA TO STUDY INTERMEDIATES IN THE OXIDATION OF THIONO PHOSPHORUS, COMPOUNDS Phosphorous and Sulfur and the Related Elements. 35: 159-172. DOI: 10.1080/03086648808079379 |
0.454 |
|
| 1988 |
Barron LD, Polavarapu PL. Raman optical activity in ring deformations of methyloxirane, methylthiirane and trans-2,3-dimethyloxirane Molecular Physics. 65: 659-667. DOI: 10.1080/00268978800101311 |
0.487 |
|
| 1988 |
Tummalapalli CM, Back DM, Polavarapu PL. Fourier-transform infrared vibrational circular dichroism of simple carbohydrates Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 84: 2585-2594. DOI: 10.1039/F19888402585 |
0.534 |
|
| 1988 |
Fontana LP, Chandramouly T, Smith HE, Polavarapu PL. Vibrational circular dichroism and absolute configuration of 1-substituted indans Journal of Organic Chemistry. 53: 3379-3381. DOI: 10.1021/Jo00249A054 |
0.49 |
|
| 1988 |
Polavarapu PL, Smith HE. Methine and methyl stretching vibrations in substituted phenylethanes Journal of Physical Chemistry. 92: 1774-1777. DOI: 10.1021/J100318A016 |
0.448 |
|
| 1988 |
Polavarapu PL. Far infrared circular dichroism measurements with Martin-Puplett interferometer: Methods and analysis Infrared Physics. 28: 109-112. DOI: 10.1016/0020-0891(88)90030-9 |
0.373 |
|
| 1988 |
Bose PK, Polavarapu PL. Counter observations on the practice of scaling individual ab initio force constants: Vibrational spectra of methylthiirane Chemical Physics Letters. 152: 39-43. DOI: 10.1016/0009-2614(88)87324-X |
0.524 |
|
| 1988 |
Polavarapu PL. Fourier transform Raman optical activity Chemical Physics Letters. 148: 21-25. DOI: 10.1016/0009-2614(88)87253-1 |
0.43 |
|
| 1988 |
Polavarapu PL, Bose PK. Vibrational absorption and circular dichroism in 2,3-d2-oxirane. Interpretation of the observed intensities Chemical Physics Letters. 143: 337-341. DOI: 10.1016/0009-2614(88)87043-X |
0.503 |
|
| 1988 |
POLAVARAPU PL, EWIG CS, CHANDRAMOULY T. ChemInform Abstract: Conformations of Tartaric Acid and Its Esters. Cheminform. 19. DOI: 10.1002/chin.198811079 |
0.294 |
|
| 1987 |
Back DM, Polavarapu PL. Vibrational assignments and isomerization rate-constants from time-dependent F.t.-i.r. spectra of sugars. Carbohydrate Research. 165: 173-87. PMID 3664523 DOI: 10.1016/0008-6215(87)80097-6 |
0.421 |
|
| 1987 |
Polavarapu PL. A frequency weighted sum rule for vibrational circular dichroism intensities The Journal of Chemical Physics. 87: 6775-6776. DOI: 10.1063/1.453421 |
0.475 |
|
| 1987 |
Polavarapu PL. Absorption and circular dichroism due to bending vibrations of A2B2 molecules with C2 symmetry The Journal of Chemical Physics. 87: 4419-4422. DOI: 10.1063/1.452853 |
0.425 |
|
| 1987 |
Polavarapu PL, Hess BA, Schaad LJ, Henderson DO, Fontana LP, Smith HE, Nafie LA, Freedman TB, Zuk WM. Vibrational spectra of methylthiirane The Journal of Chemical Physics. 86: 1140-1146. DOI: 10.1063/1.452257 |
0.454 |
|
| 1987 |
Polavarapu PL, Hess BA, Schaad LJ, Henderson DO, Fontana LP, Smith HE, Nafie LA, Freedman TB, Zuk WM. Vibrational spectra of methylthiirane The Journal of Chemical Physics. 86: 1140-1146. DOI: 10.1063/1.452257 |
0.699 |
|
| 1987 |
Polavarapu PL. Rotational optical activity The Journal of Chemical Physics. 86: 1136-1139. DOI: 10.1063/1.452256 |
0.413 |
|
| 1987 |
Polavarapu PL, Ewig CS, Chandramouly T. Conformations of tartaric acid and its esters Journal of the American Chemical Society. 109: 7382-7386. DOI: 10.1021/Ja00258A022 |
0.382 |
|
| 1987 |
Polavarapu P. A frequency-weighted sum rule for vibrational Raman optical activity Chemical Physics Letters. 139: 558-562. DOI: 10.1016/0009-2614(87)87342-6 |
0.474 |
|
| 1987 |
Back DM, Polavarapu PL. CNDO Force constants for glucose Journal of Computational Chemistry. 8: 772-777. DOI: 10.1002/Jcc.540080604 |
0.326 |
|
| 1987 |
HENDERSON DO, POLAVARAPU PL. ChemInform Abstract: Fourier Transform IR Vibrational Circular Dichroism of Matrix-Isolated Molecules. Cheminform. 18. DOI: 10.1002/chin.198712058 |
0.385 |
|
| 1986 |
Polavarapu PL. Vibrational circular dichroism of A2B2 molecules The Journal of Chemical Physics. 85: 6245-6246. DOI: 10.1063/1.451500 |
0.426 |
|
| 1986 |
Polavarapu PL. A sum rule for vibrational circular dichroism intensities of fundamental transitions The Journal of Chemical Physics. 84: 542-543. DOI: 10.1063/1.450128 |
0.46 |
|
| 1986 |
Henderson DO, Polavarapu PL. Fourier transform infrared vibrational circular dichroism of matrix-isolated molecules Journal of the American Chemical Society. 108: 7110-7111. DOI: 10.1021/Ja00282A049 |
0.434 |
|
| 1986 |
Polavarapu P. Comment on a sum rule for vibrational raman optical activity Chemical Physics Letters. 123: 545-547. DOI: 10.1016/0009-2614(86)80060-4 |
0.478 |
|
| 1986 |
POLAVARAPU PL, FONTANA LP, SMITH HE. ChemInform Abstract: Vibrational Circular Dichroism of Phenylcarbinols. A Configurational Correlation. Chemischer Informationsdienst. 17. DOI: 10.1002/chin.198619060 |
0.425 |
|
| 1986 |
Polavarapu PL, Fontana LP, Smith HF. Vibrational circular dichroism of phenylcarbinols. A configurational correlation Journal of the American Chemical Society. 108: 94-99. DOI: 10.1002/Chin.198619060 |
0.502 |
|
| 1985 |
Back DM, Polavarapu PL. Fourier-transform infrared, vibrational circular dichroism of sugars. A spectra-structure correlation. Carbohydrate Research. 133: 163-7. PMID 6498859 DOI: 10.1016/0008-6215(84)85193-9 |
0.494 |
|
| 1985 |
Polavarapu PL, Hess BA, Schaad LJ. Vibrational spectra of epoxypropane The Journal of Chemical Physics. 82: 1705-1710. DOI: 10.1063/1.448403 |
0.454 |
|
| 1985 |
Polavarapu PL, Hess BA, Schaad LJ. The dipole moment derivatives and charge flux parameters from vibrational absorption intensities of ethylene oxide Journal of Molecular Spectroscopy. 109: 22-29. DOI: 10.1016/0022-2852(85)90048-7 |
0.472 |
|
| 1985 |
Polavarapu PL, Chatterjee SR, Michalska DF. Infrared investigations of sucrose in aqueous solutions Carbohydrate Research. 137: 253-258. DOI: 10.1016/0008-6215(85)85166-1 |
0.387 |
|
| 1984 |
Back DM, Polavarapu PL. Fourier-transform infrared spectroscopy of sugars. Structural changes in aqueous solutions. Carbohydrate Research. 121: 308-11. PMID 6667468 DOI: 10.1016/0008-6215(83)84028-2 |
0.428 |
|
| 1984 |
Michalska DF, Back DM, Polavarapu PL. Identification of the characteristic, anomeric bands in the infrared spectrum of lyxose in aqueous solution. Carbohydrate Research. 131: 29-38. PMID 6091879 DOI: 10.1016/0008-6215(84)85400-2 |
0.453 |
|
| 1984 |
Polavarapu PL, Michalska DF, Back DM. On the Measurement of Vibrational Circular Dichroism of a Single Enantiomer on Fourier Transform Infrared Spectrometers Applied Spectroscopy. 38: 438-442. DOI: 10.1366/0003702844555494 |
0.521 |
|
| 1984 |
Polavarapu PL. Circular Dichroism Measurements down to 600 cm−1 Applied Spectroscopy. 38: 26-28. DOI: 10.1366/0003702844554323 |
0.498 |
|
| 1984 |
Back DM, Michalska DF, Polavarapu PL. Fourier Transform Infrared Spectroscopy as a Powerful Tool for the Study of Carbohydrates in Aqueous Solutions Applied Spectroscopy. 38: 173-180. DOI: 10.1366/0003702844554161 |
0.497 |
|
| 1984 |
Polavarapu P, Michalska D. Mid infrared vibrational circular dichroism in (S-(-)-epoxypropane Molecular Physics. 52: 1225-1235. DOI: 10.1080/00268978400101891 |
0.534 |
|
| 1984 |
Polavarapu PL, Hess BA, Schaad LJ. Vibrational spectra of epoxypropane The Journal of Chemical Physics. 82: 1705-1710. DOI: 10.1063/1.448403 |
0.547 |
|
| 1984 |
Hess, Jr. B, Schaad L, Polavarapu P. Additions and Corrections - Ab Initio Theoretical Frequencies and Intensities in the Interpretation of Infrared Spectra Journal of the American Chemical Society. 106: 8330-8330. DOI: 10.1021/Ja00338A601 |
0.486 |
|
| 1984 |
Hess BA, Schaad LJ, Polavarapu PL. Ab initio theoretical frequencies and intensities in the interpretation of infrared spectra Journal of the American Chemical Society. 106: 4348-4352. DOI: 10.1021/Ja00328A008 |
0.445 |
|
| 1984 |
Polavarapu PL, Michalska DF, Neergaard JR, Smith HE. Vibrational circular dichroism of .alpha.-phenylethylamine Journal of the American Chemical Society. 106: 3378-3380. DOI: 10.1021/Ja00323A067 |
0.422 |
|
| 1984 |
Polavarapu PL. Infrared intensities: charge flux parameters for fluorine and their transferability The Journal of Physical Chemistry. 88: 519-521. DOI: 10.1021/J150647A039 |
0.356 |
|
| 1984 |
HESS BAJ, SCHAAD LJ, POLAVARAPU PL. ChemInform Abstract: AB INITIO THEORETICAL FREQUENCIES AND INTENSITIES IN THE INTERPRETATION OF INFRARED SPECTRA Chemischer Informationsdienst. 15. DOI: 10.1002/chin.198446045 |
0.408 |
|
| 1984 |
Hess BA, Schaad LJ, Polavarapu PL. Ab initio theoretical frequencies and intensities in the interpretation of infrared spectra Journal of the American Chemical Society. 106: 4348-4352. DOI: 10.1002/Chin.198446045 |
0.485 |
|
| 1984 |
POLAVARAPU PL, MICHALSKA DF, NEERGAARD JR, SMITH HE. ChemInform Abstract: VIBRATIONAL CIRCULAR DICHROISM OF α-PHENYLETHYLAMINE Chemischer Informationsdienst. 15. DOI: 10.1002/Chin.198436047 |
0.455 |
|
| 1983 |
Polavarapu PL. A Design of Raman Spectrograph for Optical Activity and Normal Raman Measurements Applied Spectroscopy. 37: 447-449. DOI: 10.1366/0003702834634956 |
0.439 |
|
| 1983 |
Polavarapu PL. A comparison of bond moment and charge flow models for vibrational circular dichroism intensities Molecular Physics. 49: 645-650. DOI: 10.1080/00268978300101421 |
0.419 |
|
| 1983 |
POLAVARAPU PL, MICHALSKA DF. ChemInform Abstract: VIBRATIONAL CIRCULAR DICHROISM IN (S)-(-)-EPOXYPROPANE. MEASUREMENT IN VAPOR PHASE AND VERIFICATION OF THE PERTURBED DEGENERATE MODE THEORY Chemischer Informationsdienst. 14. DOI: 10.1002/chin.198352048 |
0.351 |
|
| 1983 |
Polavarapu PL, Michalska DF. Vibrational circular dichroism in (S)-(-)-epoxypropane. Measurement in vapor phase and verification of the perturbed degenerate mode theory Journal of the American Chemical Society. 105: 6190-6191. DOI: 10.1002/Chin.198352048 |
0.437 |
|
| 1982 |
Polavarapu PL. Electric field perturbative calculations of vibrational intensities. II. Orbital polarizability model for Raman optical activity and simultaneous evaluation of Raman optical activity, Raman scattering, infrared circular dichroism, and infrared absorption intensities The Journal of Chemical Physics. 77: 2273-2282. DOI: 10.1063/1.444150 |
0.502 |
|
| 1982 |
Freedman TB, Diem M, Polavarapu PL, Nafie LA. Vibrational circular dichroism in amino acids and peptides. 6. Localized molecular orbital calculations of the carbon-hydrogen stretching vibrational circular dichroism in deuterated isotopomers of alanine Journal of the American Chemical Society. 104: 3343-3349. DOI: 10.1021/Ja00376A016 |
0.676 |
|
| 1982 |
Lal BB, Diem M, Polavarapu PL, Oboodi M, Freedman TB, Nafie LA. Vibrational circular dichroism in amino acids and peptides. 5. Carbon-hydrogen, stretching vibrational circular dichroism and fixed partial charge calculations for deuterated isotopomers of alanine Journal of the American Chemical Society. 104: 3336-3342. DOI: 10.1021/ja00376a015 |
0.399 |
|
| 1982 |
Lal BB, Diem M, Polavarapu PL, Oboodi M, Freedman TB, Nafie LA. Vibrational circular dichroism in amino acids and peptides. 5. Carbon-hydrogen stretching vibrational circular dichroism and fixed partial charge calculations for deuterated isotopomers of alanine Journal of the American Chemical Society. 104: 3336-3342. DOI: 10.1021/Ja00376A015 |
0.671 |
|
| 1982 |
Diem M, Polavarapu PL, Oboodi M, Nafie LA. Vibrational circular dichroism in amino acids and peptides. 4. Vibrational analysis, assignments, and solution-phase raman spectra of deuterated isotopomers of alanine Journal of the American Chemical Society. 104: 3329-3336. DOI: 10.1021/Ja00376A014 |
0.757 |
|
| 1982 |
Polavarapu PL. Atomic Raman tensors and intensity sum rule Journal of Molecular Spectroscopy. 93: 450-452. DOI: 10.1016/0022-2852(82)90184-9 |
0.347 |
|
| 1982 |
Polavarapu P, Chandrasekhar J. An efficient molecular orbital approach for a simultaneous evaluation of the vibrational circular dichroism and absorption intensities, Chem.Phys.Letters 84(1981)587. Chemical Physics Letters. 86: 326. DOI: 10.1016/0009-2614(82)80216-9 |
0.484 |
|
| 1982 |
FREEDMAN TB, DIEM M, POLAVARAPU PL, NAFIE LA. ChemInform Abstract: VIBRATIONAL CIRCULAR DICHROISM IN AMINO ACIDS AND PEPTIDES. 6. LOCALIZED MOLECULAR ORBITAL CALCULATIONS OF THE CARBON-HYDROGEN STRETCHING VIBRATIONAL CIRCULAR DICHROISM IN DEUTERATED ISOTOPOMERS OF ALANINE Chemischer Informationsdienst. 13. DOI: 10.1002/chin.198239063 |
0.421 |
|
| 1982 |
DIEM M, POLAVARAPU PL, OBOODI M, NAFIE LA. ChemInform Abstract: VIBRATIONAL CIRCULAR DICHROISM IN AMINO ACIDS AND PEPTIDES. 4. VIBRATIONAL ANALYSIS, ASSIGNMENTS, AND SOLUTION-PHASE RAMAN SPECTRA OF DEUTERATED ISOTOPOMERS OF ALANINE Chemischer Informationsdienst. 13. DOI: 10.1002/chin.198239042 |
0.44 |
|
| 1981 |
Polavarapu PL, Nafie LA. Localized molecular orbital calculations of vibrational circular dichroism. II. CNDO formulation and results for the hydrogen stretching vibrations of (+)‐(3R)‐methylcyclohexanone The Journal of Chemical Physics. 75: 2945-2951. DOI: 10.1063/1.442385 |
0.509 |
|
| 1981 |
Nafie LA, Polavarapu PL. Localized molecular orbital calculations of vibrational circular dichroism. I. General theoretical formalism and CNDO results for the carbon–deuterium stretching vibration in neopentyl‐1‐d‐chloride The Journal of Chemical Physics. 75: 2935-2944. DOI: 10.1063/1.442384 |
0.506 |
|
| 1981 |
Polavarapu PL, Nafie LA, Benner SA, Morton TH. Optical activity due to isotopic substitution. Vibrational circular dichroism and the absolute configurations of .alpha.-deuterated cyclohexanones Journal of the American Chemical Society. 103: 5349-5354. DOI: 10.1021/Ja00408A012 |
0.473 |
|
| 1981 |
Polavarapu PL, Chandrashekhar J. An efficient molecular orbital approach for a simultaneous evaluation of the vibrational circular dichroism and absorption intensities Chemical Physics Letters. 84: 587-592. DOI: 10.1016/0009-2614(81)80414-9 |
0.493 |
|
| 1981 |
POLAVARAPU PL, NAFIE LA. ChemInform Abstract: LOCALIZED MO CALCULATIONS OF VIBRATIONAL CIRCULAR DICHROISM. PART 1. GENERAL THEORETICAL FORMALISM AND CNDO RESULTS FOR THE CARBON-DEUTERIUM STRETCHING VIBRATION IN NEOPENTYL-1-D-CHLORIDE. PART 2. CNDO FORMULATION AND RESULTS FOR THE Chemischer Informationsdienst. 12. DOI: 10.1002/chin.198151066 |
0.427 |
|
| 1981 |
POLAVARAPU PL, NAFIE LA, BENNER SA, MORTON TH. ChemInform Abstract: OPTICAL ACTIVITY DUE TO ISOTOPIC SUBSTITUTION. VIBRATIONAL CIRCULAR DICHROISM AND THE ABSOLUTE CONFIGURATIONS OF α-DEUTERATED CYCLOHEXANONES Chemischer Informationsdienst. 12. DOI: 10.1002/chin.198150074 |
0.393 |
|
| 1981 |
NAFIE LA, POLAVARAPU PL, DIEM M. ChemInform Abstract: VIBRATIONAL OPTICAL ACTIVITY IN PERTURBED DEGENERATE MODES: CONCEPTS AND MODEL CALCULATIONS IN 1-SUBSTITUTED HALOETHANES Chemischer Informationsdienst. 12. DOI: 10.1002/chin.198105101 |
0.393 |
|
| 1980 |
Polavarapu PL, Diem M, Nafie LA. Vibrational optical activity in para-substituted 1-methylcyclohex-1-enes Journal of the American Chemical Society. 102: 5449-5453. DOI: 10.1021/Ja00537A003 |
0.671 |
|
| 1980 |
Nafie LA, Polavarapu PL, Diem M. Vibrational optical activity in perturbed degenerate modes: Concepts and model calculations in 1-substituted haloethanes The Journal of Chemical Physics. 73: 3530-3540. DOI: 10.1002/Chin.198105101 |
0.655 |
|
| 1980 |
Polavarapu PL, Nafie LA. Vibrational optical activity: Comparison of theoretical and experimental results for (+)‐(3R)‐methylcyclohexanone The Journal of Chemical Physics. 73: 1567-1575. DOI: 10.1002/Chin.198050053 |
0.484 |
|
| 1980 |
POLAVARAPU PL, NAFIE LA. ChemInform Abstract: VIBRATIONAL OPTICAL ACTIVITY: COMPARISON OF THEORETICAL AND EXPERIMENTAL RESULTS FOR (+)-(3R)-METHYLCYCLOHEXANONE Chemischer Informationsdienst. 11. DOI: 10.1002/chin.198050053 |
0.405 |
|
| 1980 |
POLAVARAPU PL, DIEM M, NAFIE LA. ChemInform Abstract: VIBRATIONAL OPTICAL ACTIVITY IN PARA-SUBSTITUTED 1-METHYLCYCLOHEX-1-ENES Chemischer Informationsdienst. 11. DOI: 10.1002/chin.198046061 |
0.392 |
|
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