Thomas C. Bruice Group

research papers group links

Papers:Date:1990-1999

   

1990-1999

363. S.-R. Keum; D.H. Gregory; and T.C. Bruice. Oxidation of Aminophenols by 4a-Hydroperoxy-5-ethyllumiflavin Anion. Flavoenzyme Hydroxylase Mechanism. J. Am. Chem. Soc. 1990, 112, 2711.

364. R.D. Arasasingham and T.C. Bruice. Reaction of Hydroxide Ion with Manganese(III) Tetramesitylporphyrin and the Oxidation States of Manganese Tetramesitylporphyrins. Inorg. Chem. 1990, 29, 1422.

365. J.M. Garrison; R.W. Lee and T.C. Bruice. Epoxidation of Alkenes by Oxo(5,10,15,20-tetrakis(2,6-dimethyl-3- sulphonatophenyl)porphinato)chromium(V) in Aqueous Solution. Inorg. Chem. 1990, 29, 2019.

366. T.W. Kaaret and T.C. Bruice. Electrochemical Luminescence with N(5)-Ethyl-4a-Hydroxy-4a,5-Dihydrolumiflavin. The Mechanism of Bacterial Luciferase. Photochem. Photobiol. 1990, 51, 629.

367. R. Panicucci and T. C. Bruice. Dynamics of the Reaction of Hydrogen Peroxide with a Water Soluble Non µ-Oxo Dimer Forming Iron(III) Tetraphenylporphyrin. 2. The Reaction of Hydrogen Peroxide with 5,10,15,20-Tetrakis(2,6-dichloro-3- sulfonatophenyl)-porphinatoiron(III) in Aqueous Solution. J. Am. Chem. Soc. 1990, 112, 6063.

368. K. Murata; R. Panicucci; E. Gopinath and T.C. Bruice. The Reaction of 5,10,15,20-Tetrakis(2,6-dichloro-sulfonatophenyl) porphinato-iron(III) Hydrate with Alkyl and Acyl Hydroperoxides. The Dynamics of Reaction of Water-Soluble and Non µ-Oxo Dimer Forming Iron(III) Prophyrins in Aqueous Solution. 7. J. Am. Chem. Soc. 1990,112, 6072.

369. C.-H. Lee; B. Garcia; and T.C. Bruice. First Synthesis of a Pendant-Capped Porphyrin. A Biphenyl Pendant Capped Porphyrin Model of Catalase. J. Am. Chem. Soc. 1990, 112, 6434.

371. G.-X. He and T.C. Bruice. Nature of the Epoxidizing Species Generated by Reaction of Alkyl Hydroperoxides with Iron(III) Porphyrins. Oxidation of cis-Stilbene and (Z)-1,2-Bis(trans- 2,trans-3-diphenylcyclopropyl)ethene by t-BuOOH in the presence of [meso-Tetrakis(2,4,6-trimethylphenyl)porphinato]- [meso-Tetrakis(2,6-dichlorophenyl)porphinato]-, and [meso- Tetrakis(2,6-dibromophenyl)porphinato]-iron(III) Chloride. J. Am. Chem. Soc. 1991, 113, 2747.

372. B.C. Bookser and T.C. Bruice. Synthesis of Quadruply Two- and Three-Atom, Aza-Bridged, Cofacial Bis(5,10,15,20- Tetraphenylporphyrins). J. Am. Chem. Soc. 1991, 113, 4208.

373. A. Salehi; H-Y. Mei; and T.C. Bruice. Synthesis and DNA-Binding Studiesof New Cationic Guanidine and Betaineamide Tetraphenylpophyrins. Tet. Lett. 1991, 32, 3453.

374. R. Karaman and T. C. Bruice. Synthesis and Characterization of the First Water-Soluble Closely Interspaced Cofacial Porphyrin Dimer. J. Org. Chem. 1991, 56, 3470.

375. T.W. Kaaret; G. Zhang and T.C. Bruice. Electrochemistry and the Dependence of Potentials on pH of Iron and Manganese Tetraphenylporphyrins in Aqueous Solution. J. Am. Chem. Soc. 1991, 113, 4652.

376. E. Gopinath and T.C. Bruice. Dynamics of Reaction of [5,10,15,20-Tetrakis(2,6-dimethyl-3-sulfonatophenyl)- porphinato]iron(III) Hydrate with t-BuOOH in Aqueous Solution. 3. Comparison of Refined Kinetic Parameters and D2O Solvent Isotope Effects to Those for [5,10,15,20- Tetrakis(2,6-dichloro-3-sulfonatophenyl)-porphinato]iron(III) Hydrate and Iron(III) Hydrate. J. Am. Chem. Soc. 1991, 113, 4657.

377. G.-X. He; H.-Y. Mei and T.C. Bruice. Evaluation of the Selectivity of the Epoxidation of cis- versus trans-Alkenes by Oxo[meso-tetrakis(2,6-dibromophenyl)porphinato] chromium(V). Dynamics, Products and Van der Waals Energies. J. Am. Chem. Soc. 1991, 113, 5644.

378. E. Gopinath and T.C. Bruice. Dynamics of Reaction of [meso- Tetrakis(2,6-dimethyl-3-sulfonatophenyl)porphinato]-iron(III) Hydrate with Various Alkyl Hydroperoxides in Aqueous Solution. 4. Comparison of Kinetic Parameters and D2O Solvent Isotope Effects. J. Am. Chem. Soc. 1991, 113, 6090.

379. R.D. Arasasingham and T.C. Bruice. The Dynamics of the Reactions of Methyl Diphenylhydroperoxyacetate with [meso- Tetrakis(2,6-dimethyl-3-sulfonatophenyl)porphinato]- manganese(III) Hydrate and [meso-Tetrakis(2,6-dichloro-3- sulfonatophenyl)porphinato]-manganese(III) Hydrate and Imidazole Complexes. Comparison of the Reactions of Manganese(III) and Iron(III) Porphyrins. J. Am. Chem. Soc. 1991, 113, 6095.

380. T.C. Bruice. Reactions of Hydroperoxides with Metallo-tetraphenylporphyrins in Aqueous Solution. Acc. Chem. Res. 1991, 24, 243.

381. B. Garcia; C.-H. Lee; A. Blaskó and T.C. Bruice. Pendant-Capped Porphyrins. 1. The Synthesis of a Biphenyl Pendant-Capped Iron(III) Porphyrin Model of Catalase. J. Am. Chem. Soc. 1991, 113, 8118.

382. S. Jeon and T.C. Bruice. Electrochemical Potentials, and Associated pKa Values for Various Oxidation States of a Water- Soluble, Non µ-Oxo Dimer Forming Chromium Tetraphenylporphyrin in Aqueous Solution. Inorg. Chem. 1991, 30, 4311.

383. W.F.K. Schnatter; Ö. Almarsson and T.C. Bruice. The Synthesis of a Porphyrin with a Hydrocarbon Encapsulated Face. Tetrahedron 1991, 47, 8687.

384. G.-X. He; R.D. Arasasingham; G. Zhang and T.C. Bruice. The Rate- Limiting Step in the One-Electron Oxidation of an Alkene by Oxo[meso-tetrakis(2,6-dibromophenyl)porphinato]- chromium(V) Is the Formation of a Charge-Transfer Complex. J. Am. Chem. Soc. 1991, 113, 9828.

385. T.C. Bruice; H.-Y. Mei; G.-X. He; and V. Lopez. Rational Design of Substituted Tri-Pyrrole Peptides Which Complex with DNA by Both Selective Minor Groove Binding and Electrostatic Interaction with Phosphate Backbone. Proc. Natl. Acad. Sci. (USA) 1992, 89, 1700.

386. R. Karaman; Ö. Almarsson and T.C. Bruice. A Molecular Dynamics Approach to the Study of Symmetrical and Unsymmetrical Quadruply Bridged, Closely Interspaced Cofacial Tetraphenylporphyrin Dimers. J. Org. Chem. 1992, 57, 1555.

387. R.D. Arasasingham; S. Jeon and T.C. Bruice. The Dynamics of the Reactions of meso-Tetrakis(2,6-dimethyl-3- sulfonatophenyl)porphinato-manganese(III) Hydrate with Various Alkyl Hydroperoxides in Aqueous Solution. Product Studies and Comparison of Kinetic Parameters. J. Am. Chem. Soc. 1992, 114, 2536.

388. G.-X. He; O. Almarsson and T.C. Bruice. Stabilization of Carbinylcarbocation by and Nucleophilic Attack upon Cyclopropyl and trans-2, trans-3-Diphenylcyclopropyl Rings. Reduction of (trans-2, trans-3-Diphenylcyclopropyl)methanol and (trans-2, trans-3-Diphenylcyclopropyl)-cyclopropylmethanol. Tetrahedron 1992, 48, 3275.

389. A. Salehi; A. Shirazi and T.C. Bruice. Propensity Toward Formation of Higher Aggregates in Anionic and Cationic Iron Tetraphenylporphyrin u-Oxo Dimers: Evidence from 1H- and 13NMR Spectroscopy. Inorg. Chem. Acta. 1992, 194, 119.

390. R. Karaman; Ö. Almarsson; A. Blaskó and T.C. Bruice. The Design, Synthesis and Characterization of a "Shopping Basket" Bis- Porphyrin. The First Examples of Triply Bridged Closely Interspaced Cofacial Porphyrin Dimers. J. Org. Chem. 1992, 57, 2169.

391. R. Karaman; A. Blaskó; Ö. Almarsson; R. Arasasingham and T.C. Bruice. Symmetrical and Unsymmetrical Quadruply Aza Bridged Closely Interspaced Cofacial Bis-5,10,15,20- Tetraphenylporphyrins 2. Synthesis, Characterization, Molecular Mechanics Calculations and Physical Properties. J. Am. Chem. Soc. 1992, 114, 4889.

392. R. Karaman; S. Jeon; Ö. Almarsson and T.C. Bruice. Symmetrical and Unsymmetrical Quadruply Aza Bridged Closely Interspaced Cofacial Bis-5,10,15,20-Tetraphenylporphyrins 3. Intraplanar Distance, 1H NMR Chemical Shifts and the Catalysis of the Electrochemical Reduction of Oxygen. J. Am. Chem. Soc. 1992, 114, 4899.

393. K.A. Browne and T.C. Bruice. Chemistry of Phosphodiesters, DNA and Models. II. The Hydrolysis of Bis(8-hydroxyquinoline) Phosphate in the Absence and Presence of Metal Ions. J. Am. Chem. Soc. 1992, 114, 4951.

394. R. Karaman and T.C. Bruice. Unusual Behavior of meso- Substituted 5,10,15,20-Tetraphenylporphine Diacid Toward Oxygen Bronsted Bases. Inorg. Chem. 1992, 31, 2455.

395. D. Ostovic and T.C. Bruice. Mechanism of Alkene Epoxidation by the Higher Valent Oxo-Metalloporphyrins. Acc. Chem. Res. 1992, 25, 314.

396. H.-Y. Zhang; A. Blaskó; J.-Q. Yu; and T.C. Bruice. Bicyclo[2.2.2] octane-capped Porphyrins. I. Synthesis, Characterization and Solution Three-dimensional Structure. J. Am. Chem. Soc. 1992, 114, 6621.

397. S. Jeon and T.C. Bruice. Redox Chemistry of Water-Soluble Iron, Manganese, and Chromium Metalloporphyrins and Acid- Base Behavior of Their Axial Ligands in Aqueous Solution: Influence of Electronic Effects. Inorg. Chem. 1992, 31, 4843.

398. Ö. Almarsson; R. Karaman; and T.C. Bruice. Kinetic Importance of Conformations of Nicotinamide Adenine Dinucleotide in the Reactions of Dehydrogenase Enzymes. J. Am. Chem. Soc. 1992, 114, 8702.

399. M.J. Beck; E. Gopinath; and T.C. Bruice. Influence of Nitrogen Base Ligation on the Rate of Reaction of [5,10,15,20- Tetrakis(2,6-dimethyl-3-sulfonatophenyl)porphinato] Iron(III) Hydrate with t-BuOOH in Aqueous Solution. J. Am. Chem. Soc. 1993, 58, 438.

400. R. Karaman; G.-X. He; F. Chu; A. Blaskó; and T.C. Bruice. Opening of a Cyclopropyl ring in Diphenylcyclopropyl Alkenes Promoted by Electron Transfer from Potassium 4,4'-di-tert-Butylbiphenyl Radical Anion and X-ray Theoretical Calculations of (Z)-1,2- bis(trans-2,trans-3-diphenylcyclopropyl)ethane. J. Org. Chem. 1993, 58, 438.

401. Ö. Almarsson and T.C. Bruice. Evaluation of the Factors Influencing Reactivity and Stereospecificity in NAD(P)H Dependent Dehydrogenase Enzymes. J. Am. Chem. Soc. 1993, 115, 2125.

402. S. Jeon; Ö. Almarsson; R. Karaman; A. Blaskó, and T.C. Bruice. Symmetrical and Unsymmetrical Quadruply Aza Bridged Closely Interspaced Cofacial Bis-5,10,15,20 Tetraphenylporphyrins. 4. Structure and Conformational Effects on Electrochemistry and the Catalysis of Electrochemical Reduction of Dioxygen by Bis-, Tris, and Quadruply N,N-dimethylene Sulfonamide Bridged Dimeric Bis- Cobalt Tetraphenylporphyrins. Inorganic Chemistry 1993, 32, 2562.

403. G-X. He; K.A. Browne; J.C. Groppe; A. Blasko; H-Y. Mei; and T.C. Bruice. Microgonotropens and Their Interactions with DNA. I. Synthesis of the Tri-Pyrrole Peptides Dien-Microgonotropen-a, -b, and -c and Characterization of Their Interactions with dsDNA. J. Am. Chem. Soc. 1993, 115, 7061.

404. K.A. Browne; G-X. He; and T.C. Bruice. Microgonotropens and Their Interactions with DNA. II. Quantitative Evaluation of Equilibrium Constants for 1:1 and 2:1 Binding of Dien-Microgonotropen-a, -b, and -c as well as Distamycin and Hoechst 33258 to d(GGCGCAAATTTGGCGG)/d(CCGCCAAATTTGCGCC). J. Am. Chem. Soc. 1993, 115, 7072.

405. A. Blasko; K.A. Browne; G-X. He; and T.C. Bruice. Microgonotropens and Their Interactions with DNA. III. Structural Analysis of the 1:1 Complex of d(CGCAAATTTGCG)2 and Dien- Microgonotropen-c by 2D NMR Spectroscopy and Restrained Molecular Modeling. J. Am. Chem. Soc. 1993, 115, 7080.

406. Ö Almarsson; A. Sinha, E. Gopinath and T.C. Bruice. The Mechanism of One-Electron Oxidation of NAD(P)H and the Function of NADPH Bound to Catalase. J. Am. Chem. Soc. 1993, 115, 7093.

407. Ö Almarsson; T.C. Bruice; J. Kerr and R. Zuckermann. Molecular Mechanics Calculations of the Structures of Polyamide Nucleic Acid DNA Duplexes and Triple Helical Hybrids. Proc. Natl. Acad. Sci. (USA) 1993, 90, 7518.

408. R. D. Arasasingham; G.-X. He; and T. C. Bruice. Mechanism of Manganese Porphyrin-Catalyzed Oxidation of Alkenes. Role of Manganese(IV)-Oxo Species. J. Am. Chem. Soc. 1993, 115, 7985.

409. Ö Almarsson and T.C. Bruice. Peptide Nucleic Acid (PNA) Conformation and Polymorphism in PNA-DNA and PNA-RNA Hybrids. Proc. Natl. Acad. Sci. (USA) 1993, 90, 9542.

410. A. Blaskó and T.C. Bruice. Stoichiometry and Structure of Complexes of DNA Oligomers with Microgonotropens and Distamycin by 1H NMR Spectroscopy and Molecular Modeling. Proc. Natl. Acad. Sci. (USA) 1993, 90, 10018.

411. A. Blaskó; B. Garcia; and T.C. Bruice. Pendant-Capped Porphyrins. II. Structural Analysis and Dynamics of the Biphenyl Pendant- Capped Porphyrin Model of Catalase and Its Fe(III) Complex by One and Two Dimensional 1H NMR Spectroscopy and Distance Geometry/Molecular Modeling Refinement. J. Org. Chem. 1993, 58, 5738.

412. Ö. Almarsson; A. Blaskó; and T.C. Bruice. Studies on a Hydrocarbon Capped Free Base Tetraphenylporphyrin and its Conjugate Acids - First Observation of a Monoprotonated Tetraphenylporphyrin {CapTPP(H3+)CF3CO2-}. Tetrahedron 1993, 49, 10239.

413. Arasasingham, Ramesh D.; Bruice, Thomas C.. Formation and alkene epoxidation by higher-valent oxo-metalloporphyrins. Act. Dioxygen Homogeneous Catal. Oxid., [Proc. Int. Symp.], 5th 1993, 147-69.

414. H.G. Hansma, R.L. Sinsheimer, J. Groppe, T.C. Bruice, V. Elings, G. Gurley, M. Bezanilla, I.A. Mastrangelo, P.V.C. Hough, and P.K. Hansma. Recent Advances in Atomic Force Microscopy of DNA. Scanning 1993, 15, 296.

415. G-X. He, A. Blaskó, and T.C. Bruice. 1H NMR Study of the Rates and Isotope Effects of NADH Model Hydride Transfer Reaction. Bioorganic Chem. 1993, 21, 423.

416. Ostovic, Drazen; He, Gong-Xin; Bruice, Thomas C.. Mechanisms of reaction of hypervalent oxochromium, iron, and manganese tetraphenylporphyrins with alkenes. Metalloporphyrins Catal. Oxid. 1994, 29-68.

417. G-X. He, K.A. Browne, A. Blaskó, and T.C. Bruice. Microgonotropens and Their Interactions with DNA. IV. Synthesis of the Tripyrrole Peptides Tren-Microgonotropen-a and -b and Characterization of Their Interactions with DsDNA. J. Am. Chem. Soc. 1994, 116, 3716.

418. A. Blaskó; K.A. Browne; and T.C. Bruice. Microgonotropens and Their Interactions with DNA. V. Structural Characterization of the 1:1 complex of d(CGCAAATTTGCG)2 and Tren-Microgonotropen-b by 2D NMR Spectroscopy and Restrained Molecular Modeling. J. Am. Chem. Soc. 1994, 116, 3726.

419. R.O. Dempcy and T.C. Bruice. The Negative Charge of Alkyl Phosphate Diesters and the Slow-gaited Hydrolysis of RNA and DNA. Catalysis of RNA Hydrolysis through Metal Ion Ligation to the Ester >PO2- Moiety. J. Am. Chem. Soc. 1994, 116, 4511.

420. H-Y. Zhang; J-Q Yu and T. C. Bruice. Synthesis of a Spheroidal Bis- porphyrin. a Ligand Designed to Accept Two Catalytic Metal Ions in an Isolated Environment. Tetrahedron 1994, 59, 11339.

421. R. O. Dempcy; Ö. Almarsson; and T. C. Bruice. The Design and Synthesis of DNG: A Polycation Analogue of DNA. Proc. Natl. Acad. Sci. (USA) 1994, 91, 7864.

422. H. G. Hansma; K. A. Browne; M. Bezanilla; and T. C. Bruice. Bending and Straightening of DNA Induced by the Same Ligand: Characterization with the Atomic Force Microscope. Biochemistry 1994, 33, 8436.

423. F. C. Lightstone; T. C. Bruice. Geminal-Dialkyl Substitution, Intramolecular Reactions and Enzyme Efficiency. J. Am. Chem. Soc. 1994, 116, 10789.

424. A. Tsubouchi; T. C. Bruice. A Remarkable (~1013) Rate Enhancement in Phosphonate Ester Hydrolysis Catalyzed by Two Metal Ions. J. Am. Chem. Soc. 1994, 116, 11614.

425. T. Xue; K. A. Browne; T. C. Bruice. A Novel Minor Groove Binding Reagent Designed to Serve as a "Truck" to Carry DNA Modifying Moieties into the Major Groove. Bioconjugate Chem. 1995, 6, 82.

426. T. C. Bruice; A. Blaskó´; R. D. Arasasingham; J-S. Kim; M. Petyak. Hydrolysis of a Phosphate Diester by Simultaneous Carboxylate and Carboxyl Group Participation in a Rigid System with Kinetically Unfavorable Rotamers Frozen Out. J. Am. Chem. Soc. 1995, 117, 3639.

427. O. Almarsson; H. Adalsteinsson; T. C. Bruice. Synthesis and Characterization of An Octacationic Iron(III) Tetraphenylporphyrin,Which is Soluble in Water and Non m-oxo Dimer Forming. J. Am. Chem. Soc. 1995, 117, 4524.

428. O. Almarsson; T. C. Bruice. A Homolytic Mechanism of O-O Bond Scission Prevails in the Reactions of Alkyl Hydroperoxides With An Octacationic Tetraphenylporphnato Iron(III) Complex in Aqueous Solution. J. Am. Chem. Soc. 1995, 117, 4533.

429. R. O. Dempcy; K. A. Browne and T. C. Bruice. Synthesis of the Polycation Thymidyl DNG, It's Fidelity in Binding Polyanionic DNA/RNA, and the Stability and Nature of the Hybrid Complexes. J. Am. Chem. Soc. 1995, 117, 6140.

430. R. O. Dempcy; K. A. Browne; T. C. Bruice. Synthesis of a Thymidyl Pentamer of DNG and Binding Studies with DNA Homopolyoligonucleotides. Proc. Natl. Acad. Sci (USA) 1995, 92, 6097.

431. K. A. Browne; R. O. Dempcy; T. C. Bruice. Binding Studies of Cationic DNG to RNA Homopolynucleotides. Proc. Natl. Acad. Sci(USA) 1995, 92, 7051.

432. A. Blasko; K. A. Browne; T. C. Bruice. NMR Structure of d(CGCA3T3GCG)2:Tren-Microgonotropen-b:Zn(II) Complex and Solution Studies of Metal Ion Complexes of Tren- Microgonotropen-b Interacting with DNA. Bioorganic and Medicinal Chemistry 1995, 3, 631.

433. L. P. Olson and T. C. Bruice. Electron tunneling and ab initio calculations related to the one-electron oxidation of NAD(P)H bound to catalase. Biochemistry 1995, 34, 7335-7347.

434. A. Tsubouchi; T. C. Bruice. Phosphonate Ester Hydrolysis Catalyzed by Two Lanthanum Ions. Intramolecular Nucleophilic Attack of Coordinated Hydroxide and Lewis Acid Activation. J. Am. Chem. Soc. 1995, 117, 7399.

435. Thomas C. Bruice; Andrei Blaskó; and Mark E. Petyak. Participation of two Carboxyl Groups in Phosphodiester Hydrolysis. I. The Hydrolysis of Bis-(2-carboxyphenyl) Phosphate. J. Am. Chem. Soc. 1995, 117, 12064.

436. Thomas C. Bruice; Andrei Blaskó; Ramesh D. Arasasingham; and Jang- Seob Kim. Participation of two Carboxyl Groups in Phosphodiester Hydrolysis. II A Kinetic, Isotopic and 31P NMR Study of the Hydrolysis of a Phosphodiester with Carboxyl Groups Fixed in an Attack Conformation. J. Am. Chem. Soc. 1995, 117, 12070.

437. R. A. Torres and T. C. Bruice. Interresidue Hydrogen Bonding in a PNA.RNA Heteroduplex. Proc. Natl. Acad. Sci (USA) 1996, 93, 649.

438. F. C. Lightstone and T. C. Bruice. Ground state conformations and entropic and enthalpic factors in the efficiency of intramolecular and enzyme reactions. 1. Cyclic anhydride formation by substituted glutarates, succinate and 3.6-endoxo-?4-tetrahydrophthalate monophenyl esters. J. Am. Chem. Soc. 1996, 118, 2595-2605.

439. H-Y. Zhang and T. C. Bruice. The Kinetic Influence of Increasing Steric Hindrance to Metallation By Zinc(II) which Accompanies the Inclusion of 5,10,15,20-meso(Tetraphenyl)porphyrin into Capped and Quadruply Bridged Closely Spaced Bis-porphyrin Structures. Inorganica Chimica Acta. 1996, 247, 195.

440. Dempcy, Robert O.; Bruice, Thomas C.. The synthesis and DNA/RNA hybridization properties of DNG, a putative antisense agent with an attractive polycationic guanidinium backbone. NATO ASI Series, Series C: Mathematical and Physical Sciences 1996, 479(DNA and RNA Cleavers and Chemotherapy of Cancer and Viral Diseases), 143-162.

441. D. Sengupta; A. Blasko; T. C. Bruice. A Microgonotropin Pentaaza Pentabutylamine and its Interactions with DNA. Bioorganic and Med. Chem. 1996, 4, 803.

442. R.O. Dempcy; Jia Luo and T.C. Bruice. Design and Synthesis of Ribonucleic Guanidine: A polycationic analog of RNA. Proc. Natl. Acad. Sci (USA) 1996, 93, 4326.

443. R. A. Torres; Ö. Almarsson and T. C. Bruice. Molecular Mechanics Calculations of the Riboacetal Internucleotide Linkage in Double and Triple Helices. Proc. Natl. Acad. Sci (USA) 1996, 93, 6875.

444. L. P. Olson; J. Luo; Ö. Almarsson and T. C. Bruice. On the Mechanism of Aldehyde Oxidation Catalyzed by Horse Liver Alcohol Dehydrogenase. Biochemistry 1996, 35, 9782.

445. H. Adalsteinsson; A. H. Maulitz and T. C. Bruice. Calculation of the potential energy surface for the intermolecular amide hydrogen bonds using semiempirical and ab initio methods. J. Am. Chem. Soc. 1996, 118, 7689-7693.

446. A. Blasko; R. O. Dempcy; E. E. Minyat & T. C. Bruice. Association of Short Strand DNA Oligomers with Guanidinium Linked Nucleosides (DNG). A Kinetic and Thermodynamic Study. J. Am. Chem. Soc. 1996, 118, 7892.

447. T. C. Bruice; A. Tsubouchi; R. O. Dempcy and L. P. Olson. Oneand Two Metal Ion Catalysis of the Hydrolysis of Adenosine-3'-(alkyl)phosphate esters. Models for One and Two Metal Ion Catalysis of RNA Hydrolysis. J. Am. Chem. Soc. 1996, 118, 9867.

448. T. C. Bruice; D. Sengupta; A. Blasko; S-Y. Chiang; & T. A. Beerman. A Microgonotropen Branched Decaaza Decabutylamine and its Interactions with DNA & DNA/Transcription Facor Interactions. Bioorganic and Med. Chem. 1997, 5, 685.

449. S.-Y. Chiang; T. C. Bruice; J. C. Azizkhan; L. Gawron & T. Beerman. Targeting E2F1/DNA Complexes with Microgonotropen DNA Binding Agents. Proc. Natl. Acad. Sci. (USA) 1997, 94, 2811.

450. Y-J. Zheng & T. C. Bruice. On the Dehalogenation Mechnism of 4-Chlorobenzoate by 4-Chlorobenzoyl CoA Dehydrogenase: Insights from Study Based on Active Site Model. J. Am. Chem. Soc. 1997, 17, 3868-3877.

451. Y-Y. Zheng & T. C. Bruice. Is Strong Hydrogen Bonding in the Transition State Enough To Account for the Observed Rate Acceleration in a Mutant of Papain? Proc. Natl. Acad. Sci. 1997, 94, 4285.

452. A. Blasko; E. E. Minyat; R. O. Dempcy & T. C. Bruice. Fidelity of Binding of the Guanidinium Nucleic Acid (DNG) d(Tg)4-T-azido with Short Strand DNA Oligamers {A5G3A5, GA4G3A4G, G2A3G3A3G2,G2A2G5A2G2} with a Guanidinium Linked (DNG) Nucleoside. A Kinetic and Thermodynamic Study. Biochemistry 1997, 36, 7821.

453. A. H. Maulitz; F. C. Lightstone; Y-J. Zheng & T. C. Bruice. Non- Enzymatic and Enzymatic Hydrolysis of Alkyl Halides. I. A Theoretical Study of the SN2 Reactions of Acetate and Hydroxide Ions with Alkyl Chlorides. Proc. Natl. Acad. Sci (USA). 1997, 94, 6591.

454. F. C. Lightstone; Y-J. Zheng; A. H. Maulitz & T. C. Bruice. Non-enzymatic and Enzymatic Hydrolysis of Alkyl Halides. A Haloalkane Dehalogenation Enzyme Evolved to Stabilized the Gas Phase Transition State of an SN2 Displacement Reaction. Proc. Natl. Acad. Sci. (USA) 1997, 94, 8417.

455. J. Luo & T. C. Bruice. Nanosecond Molecular Dynamics Study of a Polycation Ribonucleic Guanidine (RNG) Duples with a Complimentary DNA Oligomer Strand. J. Am. Chem. Soc. 1997, 119, 6693.

456. T. C. Bruice; Y-C. Yip; A. Blasko; M. E. Petyak; K. A. Browne & F. C. Lightstone. Design, Synthesis, Characterizaton of a Novel Hexa-azacyclophane and Interactions with d(CGCA3T3GCG), ctDNA and T4DNA. Tetrahedron 1997, 53, 8105.

457. Y-J. Zheng & T. C. Bruice. A Theoretical Examination of the Factors Controlling the Catalytic Efficiency of a Transmethylation Enzyme: Catechol O-Methyltransferase. J. Am. Chem. Soc. 1997, 119, 8137.

458. F. C. Lightstone & T. C. Bruice. Separation of Ground State and Transition State Effects in Intramolecular and Enzymatic Reactions. II. A Theoretical Study of the Formation of Transition States in Cyclic Anhydride Formation. J. Am. Chem. Soc. 1997, 119, 9103.

459. Y-J. Zheng & T. C. Bruice. Conformation of coenzyme Pyrroloquinolinequinone (PQQ) and the Role of Ca2+ in the Catalytic Mechanism of Quinoprotein Methanol Dehydrogenase. Proc. Natl. Acad. Sci. (USA) 1997, 94, 11881.

460. J. Luo & T. C. Bruice. Nanosecond Molecular Dynamics of Hybrid Triplex and Duplex of Polycation Deoxyribonucleic Guanidine (DNG) Strands with a Complimentary DNA Strand. J. Am. Chem. Soc.1998, 120, 1115.

461. Y-J. Zheng & T. C. Bruice. Rapid Enzyme-catalyzed Heterolytic C-H Bond Cleavage by A Base Strength Amplification Mechanism: A Theoretical Examination of the Mechanism of Oxidation of Vitamin K. J. Am. Chem. Soc. 1998, 120, 1623.

462. H. Adalsteinsson & T. C. Bruice. What is the Mechanism of Catalysis of Ester Aminolysis by Weak Amine Bases? Comparison of Experimental Studies and Theoretical Investigation of the Aminolysis of Substituted Phenyl Esters of Qunoline-6- and -8-Carboxylic Acids. J. Am. Chem. Soc. 1998, 120, 3440.

463. Y-J. Zheng & T. C. Bruice. Role of a Critical Water in Scytalone Dehydratase Calalyzed Reaction. Proc. Natl. Acad. Sci. (USA) 1998, 95, 4158.

464. Y-J. Zheng & T. C. Bruice. Identifying the Intermediate in the Dioxygen Transfer from 4a-Hydroperoxyflavin Anion to Phenolate and Indole Anions. Bioorganic Chem. 1998, 25, 331.

465. B. Linkletter & T. C. Bruice. Solid Phase Synthesis of Oligomeric Deoxynucleic Guanidine (DNG): A Polycationic Analogue of DNA. Bioorganic & Med. Lett. 1998, 8, 1285.

466. D. A. Barawkar; B. Linkletter & T. C. Bruice. Synthesis of Protected Guanidinium Linked Dinucleoside for Incorporable into an Oligonucleotide Using Solid Phase DNA Methodology. Bioorganic & Med. Lett. 1998, 8, 1517.

467. F. C. Lightstone; Y-J. Zheng & T. C. Bruice. Molecular Dynamics Simulations of Ground and Transition States for the SN2 Displacement of Cl- from 1,2- Dichloroethane at the Active Site of Xanthobacter Autotrophicus Haloalkane Dehalogenase. J. Am. Chem. Soc. 1998, 120, 5611.

468. D. P. Arya & T. C. Bruice. Replacement of the Negative Phosphodiester Linkages of DNA by Positive S-Methyl Thiourea Linkers: A Novel Approach to Putative Antisense Agents. J. Am. Chem. Soc. 1998, 120, 6619.

469. B. Schiøtt; Y.-J. Zheng & T. C. Bruice. Theorectical Investigation of the Hydride Transfer from Formate to NAD+ and the Implications for the Catalytic Mechanism of Formate Dehydrogenase. J. Am. Chem. Soc. 1998, 120, 7192.

470. R. A. Torres & T. C. Bruice. MolecularDynamics Study Displays Near In-line Attack Conformations in the Hammerhead Ribozyme Self-cleavage Reaction. Proc. Natl. Acad. Sci. (USA) 1998, 95, 11077.

471. D. A. Barawkar & T. C. Bruice. Synthesis, biological properties and nuclease resistance properties of mixed backbone oligodeoxynucleotides containing cationic internucleoside guanidinium linkages: DNG/DNA chimeras. Proc. Natl. Acad. Sci. (USA) 1998, 95, 11047.

472. F. C. Lightstone; Y-J. Zheng & T. C. Bruice. The Structure of the ES Complex and Transition State Formed in the SN2 Displacement of Cl- from 1,2-Dichloroethane at the Active Site of Xanthobacter autothropicus Haloalkane Dehalogenase. Bioorganic Chem. 1998, 26, 169.

473. F. C. Lightstone & T. C. Bruice. Enthalpy and Entropy in Ring Closure Reactions. Bioorganic Chem. 1998, 26, 193.

474. B. Shiøtt; B. B. Iversen; G. K. H. Madsen; & T.C. Bruice. On the Electronic Nature of Low-Barrier Hydrogen Bonds in Enzymatic Reactions. Proc. Natl. Acad. Sci. (USA) 1998, 95, 12799.

475. E. Y. Lau & T. C. Bruice. Importance of Correlated Motions in Forming Highly Reactive Near Attack Conformations in Catechol O Methyltransferase. J. Am. Chem. Soc. 1998, 120, 12387.

476. D. P. Arya & T. C. Bruice. Positively Charged DeoxyNucleic MethylThioureas (DNmt): Synthesis and Binding Properties of Pentameric Thynidyl S-Methyl thiourea. J. Am. Chem. Soc. 1998, 120, 12419.

477. B. Shiøtt; B. B. Iversen; G. K. H. Madsen; & T.C. Bruice. Characterization of the Short Strong Hydrogen Bond in Benzoylacetone by Ab Initio Calculations and Accurate Diffraction Experimentts. Implications for the Electronic Nature of Low-Barrier Hydrogen Bonds in Enzyme Reactions. J. Am. Chem. Soc. 1998, 120, 12117.

478. T. C. Bruice & F. C. Lightstone. Ground State and Transition State Contributions to Intramolecular and Enzymatic Reactions. Acc. Chem Res. 1999, 32, 127. PDF

479. Linkletter, B. A.; Szabo, I. E.; Bruice, T. C.. Solid-phase synthesis of deoxynucleic guanidine (DNG) oligomers and melting point and circular dichroism analysis of binding fidelity of octameric thymidyl oligomers with DNA oligomers. J. Am. Chem. Soc. 1999, 121, 3888–3896. PDF

480. Arya, D. P.; Bruice, T. C.. Triple-helix formation of DNA oligomers with methylthiourea-linked nucleosides (DNmt): A kinetic and thermodynamic analysis. Proc. Natl. Acad. Sci. (USA) 1999, 96, 4384–4389.

481. Blaskó, A.; Bruice, T. C.. Recent studies of nucleophilic, general-acid, and metal ion catalysis of phosphate diester hydrolysis. Acc. Chem. Res. 1999, 32, 475–484.

482. J. Luo; K. Kahn; & T. C. Bruice. The Linear Dependence of log(kcat/Km) for Reduction of NAD+ by PhCH2OH on the Distance Between Reactants when Catalyzed by Horse Liver Alcohol Dehydrogenase and 203 Single Point Mutants. Bioorg. Chem. 1999, 27, 289. PDF

483. E. Y. Lau & T. C. Bruice. Consequences of Breaking the Asp-His Hydrogen Bond of the Catalytic Triad: Effects on the Structure and Dynamics of the Serine Esterase Cutinase. J. Biophys. 1999, 77, 85.

484. R. Torres; B. Schiott; & T. C. Bruice. Molecular Dynamics Simulations of Ground and Transition States for the Hydrid Transfer from Formate to NAD+ in Formate Dehydrogenase. J. Am. Chem. Soc. 1999, 121, 8164-8173.

485. E. Y. Lau & T. C. Bruice. Active Site Dynamics of the HhaI Methyltransferase: Insights from Computer Simulation. J. Mol. Bio. 1999, 293, 9-18.

486. Barawkar, D. A.; Bruice, T. C.. Deoxynucleic guanidines/PNA (DNG/PNA) chimeras: oligonucleoside analogues containing cationic guanidinium and neutral amide linkages. J. Am. Chem. Soc.1999, 121, 10418–10419.

487. Arya, D. P.; Bruice, T. C.. Fidelity of deoxynucleic S–methylthiourea (DNmt) binding to DNA oligomers: influence of C mismatches. J. Am. Chem. Soc.1999, 121, 10680–10684.

488. R. Torres & T. C. Bruice. Theoretical Investigation of the (1,2)-Sigmatropic Hydrogen Migration in the Mechanism of Oxidation of 2-Aminobenzoyl-CoA by 2- Aminobenzoyl-CoA Monooxygenase/Reductase. Proc. Natl. Acad. Sci. (USA) 1999, 96, 14748.

489. Satz, A. L.; Bruice, T. C.. Synthesis of fluorescent microgonotropen (FMGT–1) and its interactions with the dodecamer d(CCGGAATTCCGG). Bioorg. Med. Chem. Lett. 1999, 9, 3261–3266. PDF