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Items: 1 to 50 of 76

1.

Effect of bromine atom on the different tautomeric forms of microhydrated 5-bromouracil, in the DNA:RNA microhelix and in the interaction with human proteins.

Palafox MA, Chalanchi SM, Isasi J, Premkumar R, Franklin Benial AM, Rastogi VK.

J Biomol Struct Dyn. 2020 Jan 10:1-21. doi: 10.1080/07391102.2019.1704878. [Epub ahead of print]

PMID:
31838954
2.

FT-IR and FT-Raman spectra of 5-chlorocytosine: Solid state simulation and tautomerism. Effect of the chlorine substitution in the Watson-Crick base pair 5-chlorodeoxycytidine-deoxyguanosine.

Alcolea Palafox M, Rastogi VK, Singh SP.

Spectrochim Acta A Mol Biomol Spectrosc. 2018 Jan 5;188:418-435. doi: 10.1016/j.saa.2017.07.018. Epub 2017 Jul 19.

PMID:
28756258
3.

Evaluation of Commercial-off-the-Shelf Materials for the Preservation of Bacillus anthracis Vegetative Cells for Forensic Analysis.

Angelini DJ, Harris JV, Burton LL, Rastogi PR, Smith LS, Rastogi VK.

J Forensic Sci. 2018 Mar;63(2):412-419. doi: 10.1111/1556-4029.13549. Epub 2017 Jun 6.

PMID:
28585764
4.

Effect of the sulphur atom on geometry and spectra of the biomolecule 2-thiouracil and in the WC base pair 2-thiouridine-adenosine. Influence of water in the first hydration shell.

Alcolea Palafox M, Rastogi VK, Singh SP.

J Biomol Struct Dyn. 2018 Apr;36(5):1225-1254. doi: 10.1080/07391102.2017.1318304. Epub 2017 May 24.

PMID:
28537217
5.

Reaction efficiency and retention of poly(styrene-co-maleimide) nanoparticles deposited on fibrillated cellulose surfaces.

Rastogi VK, Stanssens D, Samyn P.

Carbohydr Polym. 2016 May 5;141:244-52. doi: 10.1016/j.carbpol.2016.01.018. Epub 2016 Jan 12.

PMID:
26877019
6.
7.

Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid.

Beaula TJ, Packiavathi A, Manimaran D, Joe IH, Rastogi VK, Jothy VB.

Spectrochim Acta A Mol Biomol Spectrosc. 2015 Mar 5;138:723-35. doi: 10.1016/j.saa.2014.11.034. Epub 2014 Nov 28.

PMID:
25544188
8.

FT-IR and FT-Raman spectra, MEP and HOMO-LUMO of 2,5-dichlorobenzonitrile: DFT study.

Alcolea Palafox M, Bhat D, Goyal Y, Ahmad S, Hubert Joe I, Rastogi VK.

Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 5;136 Pt B:464-72. doi: 10.1016/j.saa.2014.09.058. Epub 2014 Sep 28.

PMID:
25448947
9.

Mechanism for Tuning the Hydrophobicity of Microfibrillated Cellulose Films by Controlled Thermal Release of Encapsulated Wax.

Rastogi VK, Stanssens D, Samyn P.

Materials (Basel). 2014 Oct 28;7(11):7196-7216. doi: 10.3390/ma7117196.

10.

Decontamination efficacy of three commercial-off-the-shelf (COTS) sporicidal disinfectants on medium-sized panels contaminated with surrogate spores of Bacillus anthracis.

Edmonds JM, Sabol JP, Rastogi VK.

PLoS One. 2014 Jun 18;9(6):e99827. doi: 10.1371/journal.pone.0099827. eCollection 2014.

11.

FT-IR and FT-Raman spectra of 5-fluoroorotic acid with solid state simulation by DFT methods.

Cuellar A, Alcolea Palafox M, Rastogi VK, Kiefer W, Schlücker S, Rathor SK.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Nov 11;132:430-45. doi: 10.1016/j.saa.2014.04.107. Epub 2014 Apr 30.

PMID:
24887505
12.

FT-IR and FT-Raman spectra of 6-chlorouracil: molecular structure, tautomerism and solid state simulation. A comparison between 5-chlorouracil and 6-chlorouracil.

Ortiz S, Alvarez-Ros MC, Palafox MA, Rastogi VK, Balachandran V, Rathor SK.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Sep 15;130:653-68. doi: 10.1016/j.saa.2014.04.009. Epub 2014 Apr 16.

PMID:
24856263
13.

Vibrational spectroscopic studies and DFT computation of the nonlinear optical molecule L-Valinium formate.

Joselin Beaula T, Manimaran D, Hubert Joe I, Rastogi VK, Bena Jothy V.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 May 21;126:170-7. doi: 10.1016/j.saa.2014.01.088. Epub 2014 Jan 30.

PMID:
24603115
14.

FT-IR, FT-Raman spectra and other molecular properties of 2,4- dichlorobenzonitrile: a interpretation by a DFT study.

Kattan D, Alcolea Palafox M, Kumar S, Manimaran D, Joe H, Rastogi VK.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Apr 5;123:89-97. doi: 10.1016/j.saa.2013.12.052. Epub 2013 Dec 18.

PMID:
24394525
15.

Theoretical investigations on the molecular structure, vibrational spectra, thermodynamics, HOMO-LUMO, NBO analyses and paramagnetic susceptibility properties of p-(p-hydroxyphenoxy)benzoic acid.

Balachandran V, Lalitha S, Rajeswari S, Rastogi VK.

Spectrochim Acta A Mol Biomol Spectrosc. 2014;121:575-85. doi: 10.1016/j.saa.2013.11.014. Epub 2013 Nov 13.

PMID:
24291435
16.

Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile.

Agarwal P, Bee S, Gupta A, Tandon P, Rastogi VK, Mishra S, Rawat P.

Spectrochim Acta A Mol Biomol Spectrosc. 2014;121:464-82. doi: 10.1016/j.saa.2013.10.104. Epub 2013 Nov 7.

PMID:
24287056
17.

Modified AOAC three step method (officialmethod 2008.05): consolidation of fractions B and C.

Rastogi VK, Smith LS, Wallace L, Tomasino SF.

J AOAC Int. 2013 Sep-Oct;96(5):947-50.

PMID:
24282930
18.

Structural features of the 2-amino-5-nitrobenzophenone by means of vibrational spectroscopy HF and DFT, first order hyperpolarizability, NBO, HOMO-LUMO and theromodynamic properties.

Balachandran V, Santhi G, Karpagam V, Rastogi VK.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jan 24;118:835-46. doi: 10.1016/j.saa.2013.09.071. Epub 2013 Oct 7.

PMID:
24152867
19.

Normal coordinate analysis and Nonlinear Optical Response of cross-conjugated system 4,4-Dimethyl Benzophenone.

Amalanathan M, Xavier TS, Hubert Joe I, Rastogi VK.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Dec;116:574-83. doi: 10.1016/j.saa.2013.07.100. Epub 2013 Aug 7.

PMID:
23978742
20.

FT-IR, FT-Raman spectra and other molecular properties of 3,5-dichlorobenzonitrile: a DFT study.

Alcolea Palafox M, Bena Jothy V, Singhal S, Hubert Joe I, Kumar S, Rastogi VK.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Dec;116:509-17. doi: 10.1016/j.saa.2013.07.028. Epub 2013 Jul 27.

PMID:
23978738
21.

Vibrational spectral investigations and density functional theory study of 4-Formylbenzoic acid.

Xavier TS, Joe IH, Palafox MA, Kumar S, Rastogi VK.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Oct;114:502-8. doi: 10.1016/j.saa.2013.05.081. Epub 2013 Jun 4.

PMID:
23792290
22.

The biomolecule of 5-bromocytosine: FT-IR and FT-Raman spectra and DFT calculations. Identification of the tautomers in the isolated state and simulation the spectra in the solid state.

Alcolea Palafox M, Rastogi VK, Kumar S, Joe H.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Jul;111:104-22. doi: 10.1016/j.saa.2013.03.022. Epub 2013 Mar 22.

PMID:
23608134
23.

2-Amino-3,5-dichlorobenzonitrile: DFT calculations in the monomer and dimer forms, FT-IR and FT-Raman spectra, molecular geometry, atomic charges and thermodynamical parameters.

Rastogi VK, Alcolea Palafox M, Tomar R, Singh U.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Jun;110:458-70. doi: 10.1016/j.saa.2013.03.026. Epub 2013 Mar 13.

PMID:
23591076
24.

Simulation of a tetramer form of 5-chlorouracil: the vibrational spectra and molecular structure in the isolated and in the solid state by using DFT calculations.

Ortiz S, Alcolea Palafox M, Rastogi VK, Akitsu T, Hubert Joe I, Kumar S.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Jun;110:404-18. doi: 10.1016/j.saa.2013.03.018. Epub 2013 Mar 14.

PMID:
23583877
25.

Growth and vibrational spectral investigation of nonlinear optical crystal L-Argininum Perchlorate-DFT study.

Manimaran D, Jesintha John C, Rastogi VK, Hubert Joe I.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 May 15;109:173-8. doi: 10.1016/j.saa.2013.02.024. Epub 2013 Feb 27.

PMID:
23523760
26.

Molecular structure and vibrational spectral investigation of charge transfer NLO crystal naphthalene picrate for THz application.

Amalanathan M, Hubert Joe I, Rastogi VK.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 May;108:256-67. doi: 10.1016/j.saa.2013.01.097. Epub 2013 Feb 15.

PMID:
23501937
27.

Detection and tracking of a novel genetically tagged biological simulant in the environment.

Emanuel PA, Buckley PE, Sutton TA, Edmonds JM, Bailey AM, Rivers BA, Kim MH, Ginley WJ, Keiser CC, Doherty RW, Kragl FJ, Narayanan FE, Katoski SE, Paikoff S, Leppert SP, Strawbridge JB, VanReenen DR, Biberos SS, Moore D, Phillips DW, Mingioni LR, Melles O, Ondercin DG, Hirsh B, Bieschke KM, Harris CL, Omberg KM, Rastogi VK, Van Cuyk S, Gibbons HS.

Appl Environ Microbiol. 2012 Dec;78(23):8281-8. doi: 10.1128/AEM.02006-12. Epub 2012 Sep 21.

28.

Solid state simulation of tetramer form of 5-aminoorotic acid: the vibrational spectra and molecular structure study by using MP2 and DFT calculations.

Ortiz S, Alcolea Palafox M, Rastogi VK, Tomer R.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Nov;97:948-62. doi: 10.1016/j.saa.2012.06.048. Epub 2012 Jul 20.

PMID:
22922643
29.

Analysis of vibrational spectra and nonlinear optical properties of organic molecule L-alaninium formate.

John CJ, Xavier TS, Amalanathan M, Joe IH, Rastogi VK.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Feb;86:174-80. doi: 10.1016/j.saa.2011.09.070. Epub 2011 Oct 19.

PMID:
22074889
30.

Vibrational spectra, tautomerism and thermodynamics of anticarcinogenic drug: 5-fluorouracil.

Rastogi VK, Palafox MA.

Spectrochim Acta A Mol Biomol Spectrosc. 2011 Sep;79(5):970-7. doi: 10.1016/j.saa.2011.04.008. Epub 2011 May 17.

PMID:
21664177
31.

Organophosphorus acid anhydrolase bio-template for the synthesis of CdS quantum dots.

Zhao L, Gattás-Asfura KM, Xu J, Patel RA, Dadlani A, Sillero-Mahinay M, Cushmore M, Rastogi VK, Shah SS, Leblanc RM.

Chem Commun (Camb). 2011 Jul 7;47(25):7242-4. doi: 10.1039/c1cc10714c. Epub 2011 May 20.

PMID:
21597641
32.

Density functional theory calculations and vibrational spectral analysis of 3,5-(dinitrobenzoic acid).

Amalanathan M, Rastogi VK, Joe IH, Palafox MA, Tomar R.

Spectrochim Acta A Mol Biomol Spectrosc. 2011 May;78(5):1437-44. doi: 10.1016/j.saa.2011.01.023. Epub 2011 Jan 26.

PMID:
21330186
33.
34.

Systematic evaluation of the efficacy of chlorine dioxide in decontamination of building interior surfaces contaminated with anthrax spores.

Rastogi VK, Ryan SP, Wallace L, Smith LS, Shah SS, Martin GB.

Appl Environ Microbiol. 2010 May;76(10):3343-51. doi: 10.1128/AEM.02668-09. Epub 2010 Mar 19.

35.

Relationships observed in the structure and spectra of uracil and its 5-substituted derivatives.

Alcolea Palafox M, Tardajos G, Guerrero-Martínez A, Vats JK, Joe H, Rastogi VK.

Spectrochim Acta A Mol Biomol Spectrosc. 2010 Apr;75(4):1261-9. doi: 10.1016/j.saa.2009.12.042. Epub 2009 Dec 16.

PMID:
20097598
36.

Structural insights into the dual activities of the nerve agent degrading organophosphate anhydrolase/prolidase.

Vyas NK, Nickitenko A, Rastogi VK, Shah SS, Quiocho FA.

Biochemistry. 2010 Jan 26;49(3):547-59. doi: 10.1021/bi9011989. Erratum in: Biochemistry. 2010 Mar 16;49(10):2305.

PMID:
20000741
37.

Quantitative method to determine sporicidal decontamination of building surfaces by gaseous fumigants, and issues related to laboratory-scale studies.

Rastogi VK, Wallace L, Smith LS, Ryan SP, Martin B.

Appl Environ Microbiol. 2009 Jun;75(11):3688-94. doi: 10.1128/AEM.02592-08. Epub 2009 Apr 3.

38.

Interaction between organophosphorous hydrolase and paraoxon studied by surface chemistry in situ at air-water interface.

Mello SV, Coutures C, Leblanc RM, Cheng TC, Rastogi VK, Defrank JJ.

Talanta. 2001 Dec 13;55(5):881-7.

PMID:
18968438
39.

New lanthanide complexes with antioxidant activity.

Kostova I, Traykova M, Rastogi VK.

Med Chem. 2008 Jul;4(4):371-8.

PMID:
18673150
40.

Infrared reflection-absorption spectroscopy and polarization-modulated infrared reflection-absorption spectroscopy studies of the organophosphorus acid anhydrolase langmuir monolayer.

Wang C, Zheng J, Zhao L, Rastogi VK, Shah SS, DeFrank JJ, Leblanc RM.

J Phys Chem B. 2008 Apr 24;112(16):5250-6. doi: 10.1021/jp709591e. Epub 2008 Mar 29.

PMID:
18373370
41.
42.

New lanthanum (III) complex--synthesis, characterization, and cytotoxic activity.

Kostova I, Rastogi VK, Kiefer W, Kostovski A.

Arch Pharm (Weinheim). 2006 Nov;339(11):598-607.

PMID:
17048290
43.

Organophosphorus hydrolase at the air-water interface: secondary structure and interaction with paraoxon.

Zheng J, Desbat B, Rastogi VK, Shah SS, Defrank JJ, Leblanc RM.

Biomacromolecules. 2006 Oct;7(10):2806-10.

PMID:
17025356
44.

Detection of organophosphorus compounds by covalently immobilized organophosphorus hydrolase.

Orbulescu J, Constantine CA, Rastogi VK, Shah SS, Defrank JJ, Leblanc RM.

Anal Chem. 2006 Oct 1;78(19):7016-21.

PMID:
17007528
45.

(CdSe)ZnS quantum dots and organophosphorus hydrolase bioconjugate as biosensors for detection of paraoxon.

Ji X, Zheng J, Xu J, Rastogi VK, Cheng TC, DeFrank JJ, Leblanc RM.

J Phys Chem B. 2005 Mar 10;109(9):3793-9.

PMID:
16851427
46.

Molecular interaction between organophosphorus acid anhydrolase and diisopropylfluorophosphate.

Zheng J, Constantine CA, Zhao L, Rastogi VK, Cheng TC, Defrank JJ, Leblanc RM.

Biomacromolecules. 2005 May-Jun;6(3):1555-60.

PMID:
15877378
47.

Hydrolysis of acetylcholinesterase inhibitors--organophosphorus acid anhydrolase enzyme immobilization on photoluminescent porous silicon platforms.

Létant SE, Kane SR, Hart BR, Hadi MZ, Cheng TC, Rastogi VK, Reynolds JG.

Chem Commun (Camb). 2005 Feb 21;(7):851-3. Epub 2004 Dec 23.

PMID:
15700058
48.

The interaction between OPH and paraoxon at the air-water interface studied by AFM and epifluorescence microscopies.

Cao X, Mabrouki M, Mello SV, Leblanc RM, Rastogi VK, Cheng TC, DeFrank JJ.

Colloids Surf B Biointerfaces. 2005 Feb 10;40(2):75-81.

PMID:
15642457
49.

A 3347-locus genetic recombination map of sequence-tagged sites reveals features of genome organization, transmission and evolution of cotton (Gossypium).

Rong J, Abbey C, Bowers JE, Brubaker CL, Chang C, Chee PW, Delmonte TA, Ding X, Garza JJ, Marler BS, Park CH, Pierce GJ, Rainey KM, Rastogi VK, Schulze SR, Trolinder NL, Wendel JF, Wilkins TA, Williams-Coplin TD, Wing RA, Wright RJ, Zhao X, Zhu L, Paterson AH.

Genetics. 2004 Jan;166(1):389-417.

50.

Effect of organophosphorus hydrolysing enzymes on obidoxime-induced reactivation of organophosphate-inhibited human acetylcholinesterase.

Herkenhoff S, Szinicz L, Rastogi VK, Cheng TC, DeFrank JJ, Worek F.

Arch Toxicol. 2004 Jun;78(6):338-43. Epub 2004 Feb 19.

PMID:
14985944

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