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
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