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Items: 1 to 50 of 52

1.

Mechanistic insights of Cu(ii)-mediated ortho-C-H amination of arenes by capturing fleeting intermediates and theoretical calculations.

Kumar M, Verma S, Kumar A, Mishra PK, Ramabhadran RO, Banerjee S, Verma AK.

Chem Commun (Camb). 2019 Aug 14;55(63):9359-9362. doi: 10.1039/c9cc04317a. Epub 2019 Jul 18.

PMID:
31317149
2.

How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.

Csókás D, Ho AXY, Ramabhadran RO, Bates RW.

Org Biomol Chem. 2019 Jun 26;17(25):6293-6304. doi: 10.1039/c9ob00750d.

PMID:
31204752
3.

Metal-Ion- and Hydrogen-Bond-Mediated Interstellar Prebiotic Chemistry: The First Step in the Formose Reaction.

Thripati S, Ramabhadran RO.

J Phys Chem A. 2017 Nov 16;121(45):8659-8674. doi: 10.1021/acs.jpca.7b08002. Epub 2017 Nov 7.

PMID:
29058895
4.

Development of a Novel Formulation That Improves Preclinical Bioavailability of Tenofovir Disoproxil Fumarate.

Watkins ME, Wring S, Randolph R, Park S, Powell K, Lutz L, Nowakowski M, Ramabhadran R, Domanico PL.

J Pharm Sci. 2017 Mar;106(3):906-919. doi: 10.1016/j.xphs.2016.12.003. Epub 2016 Dec 14.

5.

Breaking a bottleneck: Accurate extrapolation to "gold standard" CCSD(T) energies for large open shell organic radicals at reduced computational cost.

Sengupta A, Ramabhadran RO, Raghavachari K.

J Comput Chem. 2016 Jan 15;37(2):286-95. doi: 10.1002/jcc.24050. Epub 2015 Aug 17.

PMID:
26280676
6.

Enzymatic hydroxylation of an unactivated methylene C-H bond guided by molecular dynamics simulations.

Narayan AR, Jiménez-Osés G, Liu P, Negretti S, Zhao W, Gilbert MM, Ramabhadran RO, Yang YF, Furan LR, Li Z, Podust LM, Montgomery J, Houk KN, Sherman DH.

Nat Chem. 2015 Aug;7(8):653-60. doi: 10.1038/nchem.2285. Epub 2015 Jun 29.

7.

Developmental exposure to a commercial PBDE mixture: effects on protein networks in the cerebellum and hippocampus of rats.

Kodavanti PR, Royland JE, Osorio C, Winnik WM, Ortiz P, Lei L, Ramabhadran R, Alzate O.

Environ Health Perspect. 2015 May;123(5):428-36. doi: 10.1289/ehp.1408504. Epub 2014 Dec 19.

8.

The successful merger of theoretical thermochemistry with fragment-based methods in quantum chemistry.

Ramabhadran RO, Raghavachari K.

Acc Chem Res. 2014 Dec 16;47(12):3596-604. doi: 10.1021/ar500294s. Epub 2014 Nov 13.

PMID:
25393551
9.

Improving physical properties via C-H oxidation: chemical and enzymatic approaches.

Michaudel Q, Journot G, Regueiro-Ren A, Goswami A, Guo Z, Tully TP, Zou L, Ramabhadran RO, Houk KN, Baran PS.

Angew Chem Int Ed Engl. 2014 Nov 3;53(45):12091-6. doi: 10.1002/anie.201407016. Epub 2014 Sep 22.

10.

Accurate and computationally efficient prediction of thermochemical properties of biomolecules using the generalized connectivity-based hierarchy.

Sengupta A, Ramabhadran RO, Raghavachari K.

J Phys Chem B. 2014 Aug 14;118(32):9631-43. doi: 10.1021/jp505544y. Epub 2014 Aug 5.

PMID:
25068299
11.

C vs N: which end of the cyanide anion is a better hydrogen bond acceptor?

Ramabhadran RO, Hua Y, Flood AH, Raghavachari K.

J Phys Chem A. 2014 Sep 4;118(35):7418-23. doi: 10.1021/jp412816w. Epub 2014 Apr 8.

PMID:
24707902
12.

An overlooked yet ubiquitous fluoride congenitor: binding bifluoride in triazolophanes using computer-aided design.

Ramabhadran RO, Liu Y, Hua Y, Ciardi M, Flood AH, Raghavachari K.

J Am Chem Soc. 2014 Apr 2;136(13):5078-89. doi: 10.1021/ja500125r. Epub 2014 Mar 21.

PMID:
24559019
13.

New insights on photocatalytic H2 liberation from water using transition-metal oxides: lessons from cluster models of molybdenum and tungsten oxides.

Ramabhadran RO, Mann JE, Waller SE, Rothgeb DW, Jarrold CC, Raghavachari K.

J Am Chem Soc. 2013 Nov 13;135(45):17039-51. doi: 10.1021/ja4076309. Epub 2013 Oct 30.

PMID:
24171388
14.

Extrapolation to the Gold-Standard in Quantum Chemistry: Computationally Efficient and Accurate CCSD(T) Energies for Large Molecules Using an Automated Thermochemical Hierarchy.

Ramabhadran RO, Raghavachari K.

J Chem Theory Comput. 2013 Sep 10;9(9):3986-94. doi: 10.1021/ct400465q. Epub 2013 Aug 28.

PMID:
26592394
15.

Application of the generalized connectivity-based hierarchy to biomonomers: enthalpies of formation of cysteine and methionine.

Ramabhadran RO, Sengupta A, Raghavachari K.

J Phys Chem A. 2013 Jun 13;117(23):4973-80. doi: 10.1021/jp403123c. Epub 2013 May 31.

PMID:
23697551
16.

Magnitude of stimulation dictates the cannabinoid-mediated differential T cell response to HIVgp120.

Chen W, Kaplan BL, Pike ST, Topper LA, Lichorobiec NR, Simmons SO, Ramabhadran R, Kaminski NE.

J Leukoc Biol. 2012 Nov;92(5):1093-102. doi: 10.1189/jlb.0212082. Epub 2012 Aug 16.

17.

Fluxionality in the chemical reactions of transition metal oxide clusters: the role of metal, spin state, and the reactant molecule.

Ramabhadran RO, Becher EL 3rd, Chowdhury A, Raghavachari K.

J Phys Chem A. 2012 Jul 5;116(26):7189-95. doi: 10.1021/jp303593d. Epub 2012 Jun 22.

PMID:
22668249
18.

Whole-body retention and distribution of orally administered radiolabelled zerovalent iron nanoparticles in mice.

Hughes MF, Long TC, Boyes WK, Ramabhadran R.

Nanotoxicology. 2013 Sep;7(6):1064-9. doi: 10.3109/17435390.2012.700337. Epub 2012 Jun 25.

PMID:
22662881
19.

Connectivity-Based Hierarchy for theoretical thermochemistry: assessment using wave function-based methods.

Ramabhadran RO, Raghavachari K.

J Phys Chem A. 2012 Jul 19;116(28):7531-7. doi: 10.1021/jp301421a. Epub 2012 May 23.

PMID:
22571375
20.

Profiling environmental chemicals for activity in the antioxidant response element signaling pathway using a high throughput screening approach.

Shukla SJ, Huang R, Simmons SO, Tice RR, Witt KL, Vanleer D, Ramabhadran R, Austin CP, Xia M.

Environ Health Perspect. 2012 Aug;120(8):1150-6. doi: 10.1289/ehp.1104709. Epub 2012 May 2.

21.

Polarized naphthalimide CH donors enhance Cl- binding within an aryl-triazole receptor.

McDonald KP, Ramabhadran RO, Lee S, Raghavachari K, Flood AH.

Org Lett. 2011 Dec 2;13(23):6260-3. doi: 10.1021/ol202729z. Epub 2011 Nov 4.

PMID:
22054048
22.

Aroclor 1254, a developmental neurotoxicant, alters energy metabolism- and intracellular signaling-associated protein networks in rat cerebellum and hippocampus.

Kodavanti PR, Osorio C, Royland JE, Ramabhadran R, Alzate O.

Toxicol Appl Pharmacol. 2011 Nov 1;256(3):290-9. doi: 10.1016/j.taap.2011.07.005. Epub 2011 Jul 21.

PMID:
21791222
23.

Theoretical Thermochemistry for Organic Molecules: Development of the Generalized Connectivity-Based Hierarchy.

Ramabhadran RO, Raghavachari K.

J Chem Theory Comput. 2011 Jul 12;7(7):2094-103. doi: 10.1021/ct200279q. Epub 2011 Jun 24.

PMID:
26606481
24.

Generation and characterization of neurogenin1-GFP transgenic medaka with potential for rapid developmental neurotoxicity screening.

Fan CY, Simmons SO, Law SH, Jensen K, Cowden J, Hinton D, Padilla S, Ramabhadran R.

Aquat Toxicol. 2011 Sep;105(1-2):127-35. doi: 10.1016/j.aquatox.2011.05.017. Epub 2011 Jun 6.

PMID:
21718657
25.

Gating the mechanistic pathway to the elusive 4-membered ring azeteoporphyrin.

Dye DF, Köpke T, Ramabhadran RO, Raghavachari K, Zaleski JM.

J Am Chem Soc. 2011 Aug 24;133(33):13110-20. doi: 10.1021/ja203451k. Epub 2011 Aug 2.

PMID:
21718070
26.

From atomic to molecular anions: a neutral receptor captures cyanide using strong C-H hydrogen bonds.

Ramabhadran RO, Hua Y, Li YJ, Flood AH, Raghavachari K.

Chemistry. 2011 Aug 8;17(33):9123-9. doi: 10.1002/chem.201100793. Epub 2011 Jun 27.

PMID:
21710678
27.

NRF2 Oxidative Stress Induced by Heavy Metals is Cell Type Dependent.

Simmons SO, Fan CY, Yeoman K, Wakefield J, Ramabhadran R.

Curr Chem Genomics. 2011;5:1-12. doi: 10.2174/1875397301105010001. Epub 2011 Jan 6.

28.

Two levels of conformational pre-organization consolidate strong CH hydrogen bonds in chloride-triazolophane complexes.

Hua Y, Ramabhadran RO, Karty JA, Raghavachari K, Flood AH.

Chem Commun (Camb). 2011 Jun 7;47(21):5979-81. doi: 10.1039/c1cc10428d. Epub 2011 Apr 26.

PMID:
21523308
29.

Attenuated food anticipatory activity and abnormal circadian locomotor rhythms in Rgs16 knockdown mice.

Hayasaka N, Aoki K, Kinoshita S, Yamaguchi S, Wakefield JK, Tsuji-Kawahara S, Horikawa K, Ikegami H, Wakana S, Murakami T, Ramabhadran R, Miyazawa M, Shibata S.

PLoS One. 2011 Mar 9;6(3):e17655. doi: 10.1371/journal.pone.0017655.

30.

Aromatic and aliphatic CH hydrogen bonds fight for chloride while competing alongside ion pairing within triazolophanes.

Hua Y, Ramabhadran RO, Uduehi EO, Karty JA, Raghavachari K, Flood AH.

Chemistry. 2011 Jan 3;17(1):312-21. doi: 10.1002/chem.201002340. Epub 2010 Nov 24.

PMID:
21207627
31.

Interactions of ErbB4 and Kap1 connect the growth factor and DNA damage response pathways.

Gilmore-Hebert M, Ramabhadran R, Stern DF.

Mol Cancer Res. 2010 Oct;8(10):1388-98. doi: 10.1158/1541-7786.MCR-10-0042. Epub 2010 Sep 21.

32.

Differential transcriptional regulation of IL-8 expression by human airway epithelial cells exposed to diesel exhaust particles.

Tal TL, Simmons SO, Silbajoris R, Dailey L, Cho SH, Ramabhadran R, Linak W, Reed W, Bromberg PA, Samet JM.

Toxicol Appl Pharmacol. 2010 Feb 15;243(1):46-54. doi: 10.1016/j.taap.2009.11.011. Epub 2009 Nov 13.

PMID:
19914270
33.

Cellular stress response pathway system as a sentinel ensemble in toxicological screening.

Simmons SO, Fan CY, Ramabhadran R.

Toxicol Sci. 2009 Oct;111(2):202-25. doi: 10.1093/toxsci/kfp140. Epub 2009 Jun 30. Review.

PMID:
19567883
34.

Gene expression changes in developing zebrafish as potential markers for rapid developmental neurotoxicity screening.

Fan CY, Cowden J, Simmons SO, Padilla S, Ramabhadran R.

Neurotoxicol Teratol. 2010 Jan-Feb;32(1):91-8. doi: 10.1016/j.ntt.2009.04.065. Epub 2009 May 19.

PMID:
19460430
35.

Lentiviral mediated gene delivery to the anterior chamber of rodent eyes.

Challa P, Luna C, Liton PB, Chamblin B, Wakefield J, Ramabhadran R, Epstein DL, Gonzalez P.

Mol Vis. 2005 Jun 21;11:425-30.

36.

Lentiviral vector-based models of amyloid pathology: from cells to animals.

Shaughnessy L, Thomas MB, Wakefield J, Chamblin B, Nair A, Koentgen F, Ramabhadran R.

Curr Alzheimer Res. 2005 Apr;2(2):239-47.

PMID:
15974924
37.

Inhibition of p53 by lentiviral mediated shRNA abrogates G1 arrest and apoptosis in retinal pigmented epithelial cell line.

Nair AR, Schliekelman M, Thomas MB, Wakefield J, Jurgensen S, Ramabhadran R.

Cell Cycle. 2005 May;4(5):697-703. Epub 2005 May 9.

PMID:
15846088
38.

Ubiquitous GFP expression in transgenic chickens using a lentiviral vector.

Chapman SC, Lawson A, Macarthur WC, Wiese RJ, Loechel RH, Burgos-Trinidad M, Wakefield JK, Ramabhadran R, Mauch TJ, Schoenwolf GC.

Development. 2005 Mar;132(5):935-40. Epub 2005 Jan 26. Erratum in: Development. 2005 Mar;132(5):1163.

39.

ErbB2 is required for ductal morphogenesis of the mammary gland.

Jackson-Fisher AJ, Bellinger G, Ramabhadran R, Morris JK, Lee KF, Stern DF.

Proc Natl Acad Sci U S A. 2004 Dec 7;101(49):17138-43. Epub 2004 Nov 29.

40.

Novel approaches to models of Alzheimer's disease pathology for drug screening and development.

Shaughnessy L, Chamblin B, McMahon L, Nair A, Thomas MB, Wakefield J, Koentgen F, Ramabhadran R.

J Mol Neurosci. 2004;24(1):23-32. Review.

PMID:
15314246
41.

ARPP-16/ARPP-19: a highly conserved family of cAMP-regulated phosphoproteins.

Dulubova I, Horiuchi A, Snyder GL, Girault JA, Czernik AJ, Shao L, Ramabhadran R, Greengard P, Nairn AC.

J Neurochem. 2001 Apr;77(1):229-38.

42.

Early local generation of C5a initiates the elicitation of contact sensitivity by leading to early T cell recruitment.

Tsuji RF, Kawikova I, Ramabhadran R, Akahira-Azuma M, Taub D, Hugli TE, Gerard C, Askenase PW.

J Immunol. 2000 Aug 1;165(3):1588-98.

43.

IL-12 is produced by antigen-presenting cells stimulated with soluble alphabeta TCR and restores impaired T(h)1 responses.

Kawamoto K, Paliwal V, Ramabhadran R, Szczepanik M, Tsuji RF, Matsuda H, Askenase PW.

Int Immunol. 2000 Jan;12(1):103-12.

PMID:
10607755
45.

Soluble T cell receptors: detection and quantitative assay in fluid phase via ELISA or immuno-PCR.

Sperl J, Paliwal V, Ramabhadran R, Nowak B, Askenase PW.

J Immunol Methods. 1995 Oct 26;186(2):181-94.

PMID:
7594618
46.

IL-3 dependence of a Thy-1lo, B220+, IL-3 receptor-positive antigen-specific DTH-initiating clone.

Millet I, Ferreri NR, Ramabhadran R, Askenase PW.

Cell Immunol. 1992 Aug;143(1):154-69.

PMID:
1352484
47.

Induction of macrophage TNF alpha, IL-1, IL-6, and PGE2 production by DTH-initiating factors.

Ferreri NR, Millet I, Paliwal V, Herzog W, Solomon D, Ramabhadran R, Askenase PW.

Cell Immunol. 1991 Oct 15;137(2):389-405.

PMID:
1893406
48.

Serotonin initiation of delayed-type hypersensitivity: mediation by a primitive Thy-1+ antigen-specific clone or by specific monoclonal IgE antibody.

Askenase PW, Herzog WR, Millet I, Paliwal V, Ramabhadran R, Rochester C, Geba GP, Ptak W.

Skin Pharmacol. 1991;4 Suppl 1:25-42. Review.

PMID:
1684905
49.

An antigen-specific DTH-initiating cell clone. Functional, phenotypical, and partial molecular characterization.

Herzog WR, Millet I, Ferreri NR, Ramabhadran R, Schreurs J, Askenase PW.

J Immunol. 1990 May 15;144(10):3667-76.

PMID:
1970589
50.

Chemical carcinogens induce cadmium resistance and activate metallothionein genes in cadmium sensitive S49 mouse cells.

MacArthur CA, Ramabhadran R, Godwin AK, Lebovitz RM, Lieberman MW.

Carcinogenesis. 1985 Jun;6(6):887-92.

PMID:
3874005

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