Table of Contents

Journal Cover
May 17, 2000
Volume 122, Issue 19
Pages 4535-4846
For Selected Content:

On the Catalytic Mechanism of Tryptophan Hydroxylase

Graham R. Moran, Agnes Derecskei-Kovacs, Patrick J. Hillas, and Paul F. Fitzpatrick
pp 4535–4541
Publication Date (Web): April 27, 2000 (Article)
DOI: 10.1021/ja994479a

Highly Selective Recognition of Thymidine Mono- and Diphosphate Nucleotides in Aqueous Solution by Ditopic Receptors Zinc(II)−Bis(cyclen) Complexes (Cyclen = 1,4,7,10-Tetraazacyclododecane)

Shin Aoki and Eiichi Kimura
pp 4542–4548
Publication Date (Web): May 02, 2000 (Article)
DOI: 10.1021/ja994537s

Tandem Base Lesions Are Generated by Hydroxyl Radical within Isolated DNA in Aerated Aqueous Solution

Anne-Gaëlle Bourdat, Thierry Douki, Sandrine Frelon, Didier Gasparutto, and Jean Cadet
pp 4549–4556
Publication Date (Web): April 29, 2000 (Article)
DOI: 10.1021/ja994282i

Syntheses and Theoretical and Mechanistic Aspects of 1-Thia-2,4- and 1-Thia-3,4-diphosphole Formed from CS2 and tBuCP and Crystal and Molecular Structure of the First 1-Thia-3,4-diphosphole Complex:  cis-[{PtCl2(PEt3)}2(P2SC2tBu2)]

Sarah E. d'Arbeloff-Wilson, Peter B. Hitchcock, Steffen Krill, John F. Nixon, László Nyulászi, and Manfred Regitz
pp 4557–4562
Publication Date (Web): April 27, 2000 (Article)
DOI: 10.1021/ja992325p

A Compact Chemical Miniature of a Holoenzyme, Coenzyme NADH Linked Dehydrogenase. Design and Synthesis of Bridged NADH Models and Their Highly Enantioselective Reduction1

Nobuhiro Kanomata and Tadashi Nakata
pp 4563–4568
Publication Date (Web): April 29, 2000 (Article)
DOI: 10.1021/ja992990y

Two-Electron Transfer from Potassium Anion to Peroxides:  Simultaneous or Stepwise?

Charles L. Perrin, Jingtao Wang, and Michael Szwarc
pp 4569–4572
Publication Date (Web): April 29, 2000 (Article)
DOI: 10.1021/ja9937369

Synthesis and Assembly of Self-Complementary Cavitands

Adam R. Renslo, Fabio C. Tucci, Dmitry M. Rudkevich, and Julius Rebek, Jr.
pp 4573–4582
Publication Date (Web): April 26, 2000 (Article)
DOI: 10.1021/ja993922e

First Total Synthesis of the Marine Alkaloids (±)-Fasicularin and (±)-Lepadiformine Based on Stereocontrolled Intramolecular Acylnitroso-Diels−Alder Reaction

Hideki Abe, Sakae Aoyagi, and Chihiro Kibayashi
pp 4583–4592
Publication Date (Web): April 26, 2000 (Article)
DOI: 10.1021/ja9939284

cis−trans Isomerization of Monounsaturated Fatty Acid Residues in Phospholipids by Thiyl Radicals

Chryssostomos Chatgilialoglu, Carla Ferreri, Marco Ballestri, Quinto G. Mulazzani, and Laura Landi
pp 4593–4601
Publication Date (Web): April 27, 2000 (Article)
DOI: 10.1021/ja994169s

Enantioselective Enolate Protonation with Chiral Anilines:  Scope, Structural Requirements, and Mechanistic Implications

E. Vedejs, A. W. Kruger, N. Lee, S. T. Sakata, M. Stec, and E. Suna
pp 4602–4607
Publication Date (Web): April 27, 2000 (Article)
DOI: 10.1021/ja994437m

Optical Rotation Computation, Total Synthesis, and Stereochemistry Assignment of the Marine Natural Product Pitiamide A

Seth Ribe, Rama K. Kondru, David N. Beratan, and Peter Wipf
pp 4608–4617
Publication Date (Web): April 29, 2000 (Article)
DOI: 10.1021/ja9945313

Mechanistic Studies of the Palladium-Catalyzed Amination of Aryl Halides and the Oxidative Addition of Aryl Bromides to Pd(BINAP)2 and Pd(DPPF)2:  An Unusual Case of Zero-Order Kinetic Behavior and Product Inhibition

Luis M. Alcazar-Roman, John F. Hartwig, Arnold L. Rheingold, Louise M. Liable-Sands, and Ilia A. Guzei
pp 4618–4630
Publication Date (Web): May 02, 2000 (Article)
DOI: 10.1021/ja9944599

Surface Spectroscopic Study of the Stabilization Mechanism for Shape-Selectively Synthesized Nanostructured Transition Metal Colloids

John S. Bradley, Bernd Tesche, Wilma Busser, Matthias Maase, and Manfred T. Reetz
pp 4631–4636
Publication Date (Web): April 29, 2000 (Article)
DOI: 10.1021/ja992409y

A Metabolic Link between Arsenite and Selenite:  The Seleno-bis(S-glutathionyl) Arsinium Ion

Jürgen Gailer, Graham N. George, Ingrid J. Pickering, Roger C. Prince, Steven C. Ringwald, Jeanne E. Pemberton, Richard S. Glass, Husam S. Younis, Donald W. DeYoung, and H. Vasken Aposhian
pp 4637–4639
Publication Date (Web): April 29, 2000 (Article)
DOI: 10.1021/ja993064m

What Controls the Optical Properties of DNA-Linked Gold Nanoparticle Assemblies?

James J. Storhoff, Anne A. Lazarides, Robert C. Mucic, Chad A. Mirkin, Robert L. Letsinger, and George C. Schatz
pp 4640–4650
Publication Date (Web): April 25, 2000 (Article)
DOI: 10.1021/ja993825l

Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives

W. Robert Scheidt, Hugues F. Duval, Teresa J. Neal, and Mary K. Ellison
pp 4651–4659
Publication Date (Web): May 02, 2000 (Article)
DOI: 10.1021/ja993995y

Reversal of H2O and OH- Ligand Field Strength on the Magnetochemical Series Relative to the Spectrochemical Series. Novel 1-equiv Water Chemistry of Iron(III) Tetraphenylporphyrin Complexes

Daniel R. Evans and Christopher A. Reed
pp 4660–4667
Publication Date (Web): May 02, 2000 (Article)
DOI: 10.1021/ja994478i

Elaboration of Selective and Efficient Recognition of Thymine Base in Dinucleotides (TpT, ApT, CpT, and GpT), Single-Stranded d(GTGACGCC), and Double-Stranded d(CGCTAGCG)2 by Zn2+−Acridinylcyclen (Acridinylcyclen = (9-Acridinyl)methyl-1,4,7,10-tetraazacyclododecane)

Eiichi Kimura, Hideyuki Kitamura, Kazuhiro Ohtani, and Tohru Koike
pp 4668–4677
Publication Date (Web): April 27, 2000 (Article)
DOI: 10.1021/ja000083j

First Paramagnetic Zerovalent Transition Metal Isocyanides. Syntheses, Structural Characterizations, and Magnetic Properties of Novel Low-Valent Isocyanide Complexes of Vanadium1

Mikhail V. Barybin, Victor G. Young, Jr., and John E. Ellis
pp 4678–4691
Publication Date (Web): April 27, 2000 (Article)
DOI: 10.1021/ja000212w

Gas-Phase Conformations of Synthetic Polymers:  Poly(ethylene glycol), Poly(propylene glycol), and Poly(tetramethylene glycol)

Jennifer Gidden, Thomas Wyttenbach, Anthony T. Jackson, James H. Scrivens, and Michael T. Bowers
pp 4692–4699
Publication Date (Web): April 26, 2000 (Article)
DOI: 10.1021/ja993096+

Interfacial Electronic Structure in Thiolate Self-Assembled Monolayers:  Implication for Molecular Electronics

T. Vondrak, H. Wang, P. Winget, C. J. Cramer, and X.-Y. Zhu
pp 4700–4707
Publication Date (Web): April 29, 2000 (Article)
DOI: 10.1021/ja993486w

Experimental, Hartree−Fock, and Density Functional Theory Investigations of the Charge Density, Dipole Moment, Electrostatic Potential, and Electric Field Gradients in l-Asparagine Monohydrate

William D. Arnold, Lori K. Sanders, Michael T. McMahon, Anatoliy V. Volkov, Guang Wu, Philip Coppens, Scott R. Wilson, Nathalie Godbout, and Eric Oldfield
pp 4708–4717
Publication Date (Web): April 27, 2000 (Article)
DOI: 10.1021/ja000386d

Electronic Structure, Chemical Bonding, and Vibronic Coupling in MnIV/MnIII Mixed Valent LixMn2O4 Spinels and Their Effect on the Dynamics of Intercalated Li:  A Cluster Study Using DFT

M. Atanasov, J.-L. Barras, L. Benco, and C. Daul
pp 4718–4728
Publication Date (Web): April 29, 2000 (Article)
DOI: 10.1021/ja9904484

Phosphorane−Iminato Complexes of Transition Metals with Heterocubane Structure:  A Computational Study

Andreas Sundermann and Wolfgang W. Schoeller
pp 4729–4734
Publication Date (Web): April 27, 2000 (Article)
DOI: 10.1021/ja992850o

Synthesis of CH3K in the Gas Phase:  Structural and Mechanistic Trends for Monomeric, Unsolvated CH3M and HCCM (M = Li, Na, K)

Douglas B. GrotjahnT. C. Pesch, M. A. Brewster, and L. M. Ziurys
pp 4735–4741
Publication Date (Web): May 02, 2000 (Article)
DOI: 10.1021/ja993136+

Effects of Base Stacking on Guanine Electron Transfer:  Rate Constants for G and GG Sequences of Oligonucleotides from Catalytic Electrochemistry

Mark F. Sistare, Stephanie J. Codden, Gerd Heimlich, and H. Holden Thorp
pp 4742–4749
Publication Date (Web): April 27, 2000 (Article)
DOI: 10.1021/ja993240r

How Strong Is the Cα−H···OC Hydrogen Bond?

Rubicelia Vargas, Jorge Garza, David A. Dixon, and Benjamin P. Hay
pp 4750–4755
Publication Date (Web): April 27, 2000 (Article)
DOI: 10.1021/ja993600a

Empirical Energy−Density Relationships for the Analysis of Substituent Effects in Chemical Reactivity

P. Pérez, Y. Simón-Manso, A. Aizman, P. Fuentealba, and R. Contreras
pp 4756–4762
Publication Date (Web): April 29, 2000 (Article)
DOI: 10.1021/ja994108u

Roles for Cyclopentenyl Cations in the Synthesis of Hydrocarbons from Methanol on Zeolite Catalyst HZSM-5

James F. Haw, John B. Nicholas, Weiguo Song, Feng Deng, Zhike Wang, Teng Xu, and Catherine S. Heneghan
pp 4763–4775
Publication Date (Web): April 27, 2000 (Article)
DOI: 10.1021/ja994103x

Comparison of Dynamic HPLC and Dynamic NMR in the Study of Conformational Stereodynamics:  Case of the Enantiomers of a Hindered Secondary Phosphine Oxide1

F. Gasparrini, L. Lunazzi, A. Mazzanti, M. Pierini, K. M. Pietrusiewicz, and C. Villani
pp 4776–4780
Publication Date (Web): April 29, 2000 (Article)
DOI: 10.1021/ja9941779

Ab Initio Study of the Hypercloso Boron Hydrides BnHn and BnHn-. Exceptional Stability of Neutral B13H13

Michael L. McKee, Zhi-Xiang Wang, and Paul von Ragué Schleyer
pp 4781–4793
Publication Date (Web): April 29, 2000 (Article)
DOI: 10.1021/ja994490a

Vibrational Spectroscopic and NMR Properties of Hydrogen-Bonded Complexes:  Do They Tell Us the Same Thing?

Janet E. Del Bene and Meredith J. T. Jordan
pp 4794–4797
Publication Date (Web): April 27, 2000 (Article)
DOI: 10.1021/ja994458g

Electron Confinement in Structurally Constrained σ-Bonded π-Systems. An Experimental and Density Functional Investigation

Angelika Niemz, Alejandro Cuello, L. Kraig Steffen, Benjamin F. Plummer, and Vincent M. Rotello
pp 4798–4802
Publication Date (Web): May 02, 2000 (Article)
DOI: 10.1021/ja9944148

Computational Studies of the Mechanism for Proton and Hydride Transfer in Liver Alcohol Dehydrogenase

Pratul K. Agarwal, Simon P. Webb, and Sharon Hammes-Schiffer
pp 4803–4812
Publication Date (Web): April 26, 2000 (Article)
DOI: 10.1021/ja994456w

COMMUNICATIONS TO THE EDITOR

Cyclozirconation of a Computationally-Designed Diene:  Synthesis of (−)-Androst-4-ene-3,16-dione

Douglass F. Taber, Wei Zhang, Carlton L. Campbell, Arnold L. Rheingold, and Christopher D. Incarvito
pp 4813–4814
Publication Date (Web): May 03, 2000 (Communication)
DOI: 10.1021/ja992491x

Cation−π Interaction Controlled Selective Geometric Photoisomerization of Diphenylcyclopropane

P. Lakshminarasimhan, R. B. Sunoj, J. Chandrasekhar, and V. Ramamurthy
pp 4815–4816
Publication Date (Web): April 29, 2000 (Communication)
DOI: 10.1021/ja000138h

Chelation Control through the Coordination of Lewis Acids to an Acetylenic π-Bond

Naoki Asao, Toru Asano, Takeshi Ohishi, and Yoshinori Yamamoto
pp 4817–4818
Publication Date (Web): April 29, 2000 (Communication)
DOI: 10.1021/ja994000e

A Nanometer-Sized Metallosupramolecular Cube with Oh Symmetry

Maochun Hong, Yingjun Zhao, Weiping Su, Rong Cao, Makoto Fujita, Zhongyuan Zhou, and Albert S. C. Chan
pp 4819–4820
Publication Date (Web): April 27, 2000 (Communication)
DOI: 10.1021/ja000247w

12-Helix Formation in Aqueous Solution with Short β-Peptides Containing Pyrrolidine-Based Residues

Xifang Wang, Juan F. Espinosa, and Samuel H. Gellman
pp 4821–4822
Publication Date (Web): May 02, 2000 (Communication)
DOI: 10.1021/ja000093k

Optimal Use of Cryogenic Probe Technology in NMR Studies of Proteins

Peter F. Flynn, Debra L. Mattiello, Howard D. W. Hill, and A. Joshua Wand
pp 4823–4824
Publication Date (Web): April 27, 2000 (Communication)
DOI: 10.1021/ja993743x

New Persistent Radicals:  Synthesis and Electronic Spin Structure of 2,5-Di-tert-butyl-6- Oxophenalenoxyl Derivatives

Yasushi Morita, Tomohiro Ohba, Naoki Haneda, Suguru Maki, Junya Kawai, Kunio Hatanaka, Kazunobu Sato, Daisuke Shiomi, Takeji Takui, and Kazuhiro Nakasuji
pp 4825–4826
Publication Date (Web): April 29, 2000 (Communication)
DOI: 10.1021/ja000298t

Intramolecular Nucleophilic Addition of Aryl Bromides to Ketones Catalyzed by Palladium

Long Guo Quan, Mouad Lamrani, and Yoshinori Yamamoto
pp 4827–4828
Publication Date (Web): April 29, 2000 (Communication)
DOI: 10.1021/ja000415k

The First Stable Heteracyclopropabenzene:  Synthesis and Crystal Structure of a Silacyclopropabenzene

Ken Hatano, Norihiro Tokitoh, Nozomi Takagi, and Shigeru Nagase
pp 4829–4830
Publication Date (Web): April 29, 2000 (Communication)
DOI: 10.1021/ja000501k

Simple Total Synthesis of the Pentacyclic Cs-Symmetric Structure Attributed to the Squalenoid Glabrescol and Three Cs-Symmetric Diastereomers Compel Structural Revision

Zhaoming Xiong and E. J. Corey
pp 4831–4832
Publication Date (Web): April 26, 2000 (Communication)
DOI: 10.1021/ja000842y

Nucleation of DNA Condensation by Static Loops:  Formation of DNA Toroids with Reduced Dimensions

M. Richard Shen, Kenneth H. Downing, Rod Balhorn, and Nicholas V. Hud
pp 4833–4834
Publication Date (Web): April 27, 2000 (Communication)
DOI: 10.1021/ja000200a

Reconstructing Aldolase Antibodies to Alter Their Substrate Specificity and Turnover

Fujie Tanaka, Richard A. Lerner, and Carlos F. Barbas, III
pp 4835–4836
Publication Date (Web): April 29, 2000 (Communication)
DOI: 10.1021/ja0005441

Microsolvation and Chemical Reactivity of Sodium and Water Clusters

Christopher J. Mundy, Jürg Hutter, and Michele Parrinello
pp 4837–4838
Publication Date (Web): April 29, 2000 (Communication)
DOI: 10.1021/ja994507p

Isolation and Characterization of the First Stable Bicarbonato Complexes of Bis(1,10-phenanthroline)copper(II). Identification of Lipscomb- and Lindskog-like Intermediates

Zong-Wan Mao, Günter Liehr, and Rudi van Eldik
pp 4839–4840
Publication Date (Web): April 27, 2000 (Communication)
DOI: 10.1021/ja994071d

Determination of Protein Backbone 13CO Chemical Shift Anisotropy Tensors in Solution

Yuxi Pang and Erik R. P. Zuiderweg
pp 4841–4842
Publication Date (Web): April 29, 2000 (Communication)
DOI: 10.1021/ja994184x

Large Free Volume in Maximally Interpenetrating Networks:  The Role of Secondary Building Units Exemplified by Tb2(ADB)3[(CH3)2SO]4·16[(CH3)2SO]1

Theresa M. Reineke, Mohamed Eddaoudi, David Moler, M. O'Keeffe, and O. M. Yaghi
pp 4843–4844
Publication Date (Web): May 02, 2000 (Communication)
DOI: 10.1021/ja000363z

ADDITIONS AND CORRECTIONS

The First Structurally Characterized Homofullerene (Fulleroid)  [J. Am. Chem. Soc. 1999, 121, 7971−7972].

Andrew F. Kiely, Robert C. Haddon, Mark S. Meier, John P. Selegue, Carolyn Pratt Brock, Brian O. Patrick, Guan-Wu Wang, and Yongsheng Chen
p 4845
Publication Date (Web): April 26, 2000 (Addition/Correction)
DOI: 10.1021/ja004647v

BOOK REVIEWS

Quantum State Diffusion By Ian Percival (Queen Mary and Westfield College, London). Cambridge University Press:  New York. 1998. 169 pp. $49.95. ISBN 0-521-62007-4.

Jeffrey D. Evanseck
pp 4845–4846
Publication Date (Web): March 29, 2000 (Book Review)
DOI: 10.1021/ja995699r

Reviews in Computational Chemistry. Volume 13 Edited by Kenny B. Lipkowitz and Donald B. Boyd (Indiana University−Purdue University at Indianapolis). Wiley-VCH:  New York. 1999. xxxiii + 426 pp. $135.00. ISBN 0-471-33135-X.

Robert Q. Topper
p 4845
Publication Date (Web): March 11, 2000 (Book Review)
DOI: 10.1021/ja995779v

Understanding Humic Substances. Advanced Methods, Properties and Applications Edited by Elham A. Ghabbour (Northeastern University) and Geoffrey Davies (Northeastern University). Royal Society of Chemistry:  Cambridge. 1999. xvi + 286 pp. $125.00. ISBN 0-85404-799-9.

p 4846
Publication Date (Web): March 08, 2000 (Book Review)
DOI: 10.1021/ja004723u

Progress in Colloid and Polymer Science. Volume 114. Physical Chemistry and Industrial Application of Gellan Gum Edited by K. Nishinari (Osaka City University). Springer:  Berlin, Heidelberg, New York. 1999. xvii + 131 pp. $89.95. ISBN 3-540-66389-4.

p 4846
Publication Date (Web): March 08, 2000 (Book Review)
DOI: 10.1021/ja004725e

Pauling's Legacy:  Modern Modelling of the Chemical Bond. Theoretical & Computational Chemistry. Volume 6 Edited by Z. B. Maksic (Rudjer Boskovic Institute, Zagreb) and W. J. Orville-Thomas (Aberystwyth, Wales). Elsevier:  Amsterdam. 1999. 782 pp. $360.50. ISBN 0-444-82508-8.

John F. Stanton
p 4846
Publication Date (Web): March 28, 2000 (Book Review)
DOI: 10.1021/ja9957579

Lecture Notes on Fullerene Chemistry:  A Handbook for Chemists By Roger Taylor (University of Sussex). Imperial College Press:  London. 1999. xiv + 268 pp. $48.00. ISBN 1-86094-104-4.

Philip B. Shevlin
p 4846
Publication Date (Web): March 23, 2000 (Book Review)
DOI: 10.1021/ja9957635
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