Table of Contents

Journal Cover
April 12, 2000
Volume 122, Issue 14
Pages 3255-3566
For Selected Content:

Crystal Structure of the Ribonucleotide Reductase R2 Mutant that Accumulates a μ-1,2-Peroxodiiron(III) Intermediate during Oxygen Activation

Walter C. Voegtli, Nelly Khidekel, Jeffrey Baldwin, Brenda A. Ley, J. Martin Bollinger, Jr., and Amy C. Rosenzweig
pp 3255–3261
Publication Date (Web): March 28, 2000 (Article)
DOI: 10.1021/ja991839l

Cyclopentapeptides as Flexible Conformational Templates

Gregory V. Nikiforovich, Katalin E. Kövér, Wei-Jun Zhang, and Garland R. Marshall
pp 3262–3273
Publication Date (Web): March 17, 2000 (Article)
DOI: 10.1021/ja991728m

Efforts toward the Expansion of the Genetic Alphabet:  Information Storage and Replication with Unnatural Hydrophobic Base Pairs

Anthony K. Ogawa, Yiqin Wu, Dustin L. McMinn, Jianquan Liu, Peter G. Schultz, and Floyd E. Romesberg
pp 3274–3287
Publication Date (Web): March 24, 2000 (Article)
DOI: 10.1021/ja9940064

Isotope Effects and the Mechanism of Chlorotrimethylsilane-Mediated Addition of Cuprates to Enones

Doug E. Frantz and Daniel A. Singleton
pp 3288–3295
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja993373c

13C Kinetic Isotope Effects and the Mechanism of the Uncatalyzed Decarboxylation of Orotic Acid

Daniel A. Singleton, Steven R. Merrigan, Bong J. Kim, Peter Beak, Linda M. Phillips, and Jeehiun K. Lee
pp 3296–3300
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja993392m

Total Synthesis of the Thiopeptide Promothiocin A

Mark C. Bagley, Katherine E. Bashford, Claire L. Hesketh, and Christopher J. Moody
pp 3301–3313
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja994247b

Inhibition of EcoRV Endonuclease by Deoxyribo-3‘-S-phosphorothiolates:  A High-Resolution X-ray Crystallographic Study

Nancy C. Horton, Bernard A. Connolly, and John J. Perona
pp 3314–3324
Publication Date (Web): March 22, 2000 (Article)
DOI: 10.1021/ja993719j

Structural and Dynamic Evidence for C−H···O Hydrogen Bonding in Lariat Ethers:  Implications for Protein Structure

Eric S. Meadows, Stephen L. De Wall, Leonard J. Barbour, Frank R. Fronczek, Min-Sook Kim, and George W. Gokel
pp 3325–3335
Publication Date (Web): March 24, 2000 (Article)
DOI: 10.1021/ja9940672

Helix Magic. Thermo-Driven Chiroptical Switching and Screw-Sense Inversion of Flexible Rod Helical Polysilylenes

Michiya Fujiki
pp 3336–3343
Publication Date (Web): March 23, 2000 (Article)
DOI: 10.1021/ja9938581

The Steric Course of SE2 Reactions of Unstabilized α-Aminoorganolithiums:  Distinguishing between SET and Polar Mechanisms

Robert E. Gawley, Eddy Low, Qianhui Zhang, and Roy Harris
pp 3344–3350
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja9923235

D2-Symmetric Dimer of 1,1‘-Binaphthyl and Its Chiral π-Conjugated Carbodianion

Andrzej Rajca, Andrej Safronov, Suchada Rajca, and Jirawat Wongsriratanakul
pp 3351–3357
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja993286k

Regiochemical Tagging:  A New Tool for Structural Characterization of Isomeric Components in Combinatorial Mixtures

Noureddin Nazarpack-Kandlousy, Igor V. Chernushevich, LingJie Meng, Ying Yang, and Alexey V. Eliseev
pp 3358–3366
Publication Date (Web): March 24, 2000 (Article)
DOI: 10.1021/ja993844v

The Thermal Sulfenate−Sulfoxide Rearrangement:  A Radical Pair Mechanism

Jérôme Amaudrut and Olaf Wiest
pp 3367–3374
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja9940928

Reactivity and Mechanism in the Hydrolysis of β-Sultams

Nicholas J. Baxter, Laurent J. M. Rigoreau, Andrew P. Laws, and Michael I. Page
pp 3375–3385
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja994293b

The First Free 7λ3-Phosphanorbornadiene

Maurice J. van Eis, Herman Zappey, Franciscus J. J. de Kanter, Willem H. de Wolf, Koop Lammertsma, and Friedrich Bickelhaupt
pp 3386–3390
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja9942944

Catalytic Ring-Closing Metathesis of Doubly Armed, Bridged Bicyclic Sulfones. Evaluation of Chain Length and Possible Intramolecular SO2 Group Ligation to the Ruthenium Carbenoid

Leo A. Paquette, Fabrizio Fabris, Jinsung Tae, Judith C. Gallucci, and John E. Hofferberth
pp 3391–3398
Publication Date (Web): March 18, 2000 (Article)
DOI: 10.1021/ja9943849

Structural Change of the Mn Cluster during the S2→S3 State Transition of the Oxygen-Evolving Complex of Photosystem II. Does It Reflect the Onset of Water/Substrate Oxidation? Determination by Mn X-ray Absorption Spectroscopy

Wenchuan Liang, Theo A. Roelofs, Roehl M. Cinco, Annette Rompel, Matthew J. Latimer, Wa O. Yu, Kenneth Sauer, Melvin P. Klein, and Vittal K. Yachandra
pp 3399–3412
Publication Date (Web): March 24, 2000 (Article)
DOI: 10.1021/ja992501u

Systematic Investigation of the Nature of The Coupling between a Ln(III) Ion (Ln = Ce(III) to Dy(III)) and Its Aminoxyl Radical Ligands. Structural and Magnetic Characteristics of a Series of {Ln(organic radical)2} Compounds and the Related {Ln(Nitrone)2} Derivatives

Myrtil L. Kahn, Jean-Pascal Sutter, Stéphane Golhen, Philippe Guionneau, Lahcène Ouahab, Olivier Kahn, and Daniel Chasseau
pp 3413–3421
Publication Date (Web): March 23, 2000 (Article)
DOI: 10.1021/ja994175o

Mechanistic Studies of CVD Metallization Processes:  Reactions of Rhodium and Platinum β-Diketonate Complexes on Copper Surfaces

Elizabeth L. Crane, Yujian You, Ralph G. Nuzzo, and Gregory S. Girolami
pp 3422–3435
Publication Date (Web): March 28, 2000 (Article)
DOI: 10.1021/ja993653s

Why Does Trypsin Cleave BPTI so Slowly?

Mikael Peräkylä and Peter A. Kollman
pp 3436–3444
Publication Date (Web): March 24, 2000 (Article)
DOI: 10.1021/ja991602p

Fluorescence from Azobenzene Functionalized Poly(propylene imine) Dendrimers in Self-Assembled Supramolecular Structures

K. Tsuda, G.C. Dol, T. Gensch, J. Hofkens, L. Latterini, J.W. Weener, E.W. Meijer, and F.C. De Schryver
pp 3445–3452
Publication Date (Web): March 28, 2000 (Article)
DOI: 10.1021/ja9919581

Acetylene Cyclotrimerization on Supported Size-Selected Pdn Clusters (1 ≤ n ≤ 30): One Atom Is Enough!

S. Abbet, A. Sanchez, U. Heiz, W.-D. Schneider, A. M. Ferrari, G. Pacchioni, and N. Rösch
pp 3453–3457
Publication Date (Web): March 23, 2000 (Article)
DOI: 10.1021/ja9922476

On the Stability of Amino Acid Zwitterions in the Gas Phase:  The Influence of Derivatization, Proton Affinity, and Alkali Ion Addition

Thomas Wyttenbach, Matthias Witt, and Michael T. Bowers
pp 3458–3464
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja992546v

A Method for Measuring Heteronuclear (1H−13C) Distances in High Speed MAS NMR

B.-J. van Rossum, C. P. de Groot, V. Ladizhansky, S. Vega, and H. J. M. de Groot
pp 3465–3472
Publication Date (Web): March 24, 2000 (Article)
DOI: 10.1021/ja992714j

Mn2+ Sites in the Hammerhead Ribozyme Investigated by EPR and Continuous-Wave Q-band ENDOR Spectroscopies

Susan R. Morrissey, Thomas E. Horton, and Victoria J. DeRose
pp 3473–3481
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja992989z

Ab Initio Calculation of the Electronic Spectrum of Azobenzene Dyes and Its Impact on the Design of Optical Data Storage Materials

Per-Olof Åstrand, P. S. Ramanujam, Søren Hvilsted, Keld L. Bak, and Stephan P. A. Sauer
pp 3482–3487
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja993154r

W-Band ENDOR Investigation of the Manganese-Binding Site of Concanavalin A:  Determination of Proton Hyperfine Couplings and Their Signs

Palanichamy Manikandan, Raanan Carmieli, Tania Shane, A. Joseph Kalb (Gilboa), and Daniella Goldfarb
pp 3488–3494
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja993395z

Global Minimum of the Adenine···Thymine Base Pair Corresponds Neither to Watson−Crick Nor to Hoogsteen Structures. Molecular Dynamic/Quenching/AMBER and ab Initio beyond Hartree−Fock Studies

Martin Kratochvíl, Jiří Šponer, and Pavel Hobza
pp 3495–3499
Publication Date (Web): March 25, 2000 (Article)
DOI: 10.1021/ja9936060

Ab Initio Crystal Structure Predictions for Flexible Hydrogen-Bonded Molecules

Wijnand T. M. Mooij, Bouke P. van Eijck, and Jan Kroon
pp 3500–3505
Publication Date (Web): March 24, 2000 (Article)
DOI: 10.1021/ja993945t

Prediction of EPR g Tensors in Simple d1 Metal Porphyrins with Density Functional Theory

S. Patchkovskii and T. Ziegler
pp 3506–3516
Publication Date (Web): March 28, 2000 (Article)
DOI: 10.1021/ja994041a

Model Systems for Flavoenzyme Activity. The Role of N(3)−H Hydrogen Bonding in Flavin Redox Processes

Alejandro O. Cuello, Catherine M. McIntosh, and Vincent M. Rotello
pp 3517–3521
Publication Date (Web): March 23, 2000 (Article)
DOI: 10.1021/ja994204v

COMMUNICATIONS TO THE EDITOR

Design of Potent Inhibitors for Human Brain Memapsin 2 (β-Secretase)

Arun K. Ghosh, Dongwoo Shin, Debbie Downs, Gerald Koelsch, Xinli Lin, Jacques Ermolieff, and Jordan Tang
pp 3522–3523
Publication Date (Web): March 23, 2000 (Communication)
DOI: 10.1021/ja000300g

Synthesis and Characterization of 2,6-Trip2H3C6PbPbC6H3-2,6-Trip2 (Trip = C6H2-2,4,6-i-Pr3):  A Stable Heavier Group 14 Element Analogue of an Alkyne

Lihung Pu, Brendan Twamley, and Philip P. Power
pp 3524–3525
Publication Date (Web): March 24, 2000 (Communication)
DOI: 10.1021/ja993346m

Porphyrin-containing [2]-Rotaxanes:  Metal Coordination Enhanced Superexchange Electron Transfer between Noncovalently Linked Chromophores

Mikael Andersson, Myriam Linke, Jean-Claude Chambron, Jan Davidsson, Valérie Heitz, Jean-Pierre Sauvage, and Leif Hammarström
pp 3526–3527
Publication Date (Web): March 24, 2000 (Communication)
DOI: 10.1021/ja993345u

Probing the Origin of Disorder in Polynuclear Aluminum 7-Azaindolyl Complexes by 27Al Multiple-Quantum Magic-Angle-Spinning NMR

James Ashenhurst, Suning Wang, and Gang Wu
pp 3528–3529
Publication Date (Web): March 25, 2000 (Communication)
DOI: 10.1021/ja993613o

Fabrication of Ordered Porous Structures by Self-Assembly of Zeolite Nanocrystals

Limin Huang, Zhengbao Wang, Jinyu Sun, Lei Miao, Quanzhi Li, Yushan Yan, and Dongyuan Zhao
pp 3530–3531
Publication Date (Web): March 22, 2000 (Communication)
DOI: 10.1021/ja994240u

A Density Functional Normal Mode Calculation of a Bacteriochlorophyll a Derivative

Matteo Ceccarelli, Marc Lutz, and Massimo Marchi
pp 3532–3533
Publication Date (Web): March 25, 2000 (Communication)
DOI: 10.1021/ja993849s

Deracemization of Baylis−Hillman Adducts

Barry M. Trost, Hon-Chung Tsui, and F. Dean Toste
pp 3534–3535
Publication Date (Web): March 24, 2000 (Communication)
DOI: 10.1021/ja994326n

Photochemical Denitrogenation of Norbornene-Annelated 2,3-Diazabicyclo[2.1.1]hept-2-ene-Type Azoalkanes:  Crystal-Lattice versus Zeolite-Interior Effects

Waldemar Adam, Hermenegildo García, Vicente Martí, Jarugu N. Moorthy, Karl Peters, and Eva-Maria Peters
pp 3536–3537
Publication Date (Web): March 25, 2000 (Communication)
DOI: 10.1021/ja994114q

Isolation and Characterization of Er@C60

Taro Ogawa, Toshiki Sugai, and Hisanori Shinohara
pp 3538–3539
Publication Date (Web): March 22, 2000 (Communication)
DOI: 10.1021/ja992665a

A New Mechanism of Action Proposed for Ramoplanin

Mei-Chu Lo, Hongbin Men, Arthur Branstrom, Jeremiah Helm, Nan Yao, Robert Goldman, and Suzanne Walker
pp 3540–3541
Publication Date (Web): March 23, 2000 (Communication)
DOI: 10.1021/ja000182x

Constructing Molecular Machinery:  A Chemically-Switchable [2]Catenane

Vincenzo Balzani, Alberto Credi, Steven J. Langford, Françisco M. Raymo, J. Fraser Stoddart, and Margherita Venturi
pp 3542–3543
Publication Date (Web): March 25, 2000 (Communication)
DOI: 10.1021/ja994454b

Role of Cation Size in the Energy of Electron Transfer to 1:1 Polyoxometalate Ion Pairs {(M+)(Xn+VW11O40)}(8-n)- (M = Li, Na, K)

Vladimir A. Grigoriev, Craig L. Hill, and Ira A. Weinstock
pp 3544–3545
Publication Date (Web): March 25, 2000 (Communication)
DOI: 10.1021/ja993862c

Assembly of Mesoscopic Analogues of Nucleic Acids

Marcus Weck, Insung S. Choi, Noo Li Jeon, and George M. Whitesides
pp 3546–3547
Publication Date (Web): March 25, 2000 (Communication)
DOI: 10.1021/ja994099p

How Stereoselective Are Alkene Addition Reactions on Si(100)?

G. P. Lopinski, D. J. Moffatt, D. D. M. Wayner, and R. A. Wolkow
pp 3548–3549
Publication Date (Web): March 24, 2000 (Communication)
DOI: 10.1021/ja993110i

Electrospray Time-of-Flight Mass Spectrometry of the Intact MS2 Virus Capsid

Mark A. Tito, Kaspar Tars, Karin Valegard, Janos Hajdu, and Carol V. Robinson
pp 3550–3551
Publication Date (Web): March 25, 2000 (Communication)
DOI: 10.1021/ja993740k

Electrostatic Control of Electron Transfer between Myoglobin and Cytochrome b5:  Effect of Methylating the Heme Propionates of Zn-Myoglobin

Zhao-Xun Liang, Judith M. Nocek, Igor V. Kurnikov, David N. Beratan, and Brian M. Hoffman
pp 3552–3553
Publication Date (Web): March 24, 2000 (Communication)
DOI: 10.1021/ja993951p

New Carbon-Detected Protein NMR Experiments Using CryoProbes

Zach Serber, Christian Richter, Detlef Moskau, Jean-Marc Böhlen, Tobias Gerfin, Daniel Marek, Markus Häberli, Ludivica Baselgia, Frank Laukien, Alan S. Stern, Jeffrey C. Hoch, and Volker Dötsch
pp 3554–3555
Publication Date (Web): March 24, 2000 (Communication)
DOI: 10.1021/ja991371m

Re-engineering Enzyme-Model Active Sites:  Reversible Binding of Dioxygen at Ambient Conditions by a Bioinspired Copper Complex

Zhengbo Hu, Robert D. Williams, Dat Tran, Thomas G. Spiro, and Sergiu M. Gorun
pp 3556–3557
Publication Date (Web): March 24, 2000 (Communication)
DOI: 10.1021/ja992017r

Saccharide-Directed Cell Recognition and Molecular Delivery Using Macrocyclic Saccharide Clusters:  Masking of Hydrophobicity to Enhance the Saccharide Specificity

Kazuhisa Fujimoto, Takuya Miyata, and Yasuhiro Aoyama
pp 3558–3559
Publication Date (Web): March 23, 2000 (Communication)
DOI: 10.1021/ja993993d

Predicted NMR Coupling Constants Across Hydrogen Bonds:  A Fingerprint for Specifying Hydrogen Bond Type?

Janet E. Del BeneS. Ajith Perera and Rodney J. Bartlett
pp 3560–3561
Publication Date (Web): March 25, 2000 (Communication)
DOI: 10.1021/ja994312h

Catalyzed Growth of a Metastable InS Crystal Structure as Colloidal Crystals

Jennifer A. Hollingsworth, Damadora M. Poojary, Abraham Clearfield, and William E. Buhro
pp 3562–3563
Publication Date (Web): March 28, 2000 (Communication)
DOI: 10.1021/ja000106u

BOOK REVIEWS

Advances in Supramolecular Chemistry, Vol. 5 Edited by George W. Gokel (Washington University School of Medicine). JAI Press:  Stamford, CT. 1999. ix + 365 pp. $109.50. ISBN 1-7623-0447-2.

Timothy B. Karpishin
p 3564
Publication Date (Web): February 03, 2000 (Book Review)
DOI: 10.1021/ja9956977

Advances in Asymmetric Synthesis. Volume 3 Edited by Alfred Hassner (Bar-Ilan University). JAI Press:  Stamford, CT. 1998. x + 365 pp. $128.50. ISBN 0-7623-0106-6.

Matthias C. McIntosh
pp 3564–3565
Publication Date (Web): February 10, 2000 (Book Review)
DOI: 10.1021/ja995701e

Aerosol Processing of Materials By Toivo T. Kodas and Mark J. Hampden-Smith (Superior Micropowders, Albuquerque, NM). Wiley-VCH:  New York. 1999. xxx + 656 pp. $175.00. ISBN 0-471-24669-7.

Gregory L. Griffin
p 3565
Publication Date (Web): February 03, 2000 (Book Review)
DOI: 10.1021/ja995709o

Introduction to Flavonoids. Volume 2. Chemistry and Bio-chemistry of Organic Natural Products By Bruce A. Bohm (University of British Columbia). Harwood Academic Publishers:  Amsterdam. 1998. 503 pp. $145.00. ISBN 90-5702-353-9.

Ragai K. Ibrahim
pp 3565–3566
Publication Date (Web): February 15, 2000 (Book Review)
DOI: 10.1021/ja995759t

Magnetic Properties of Organic Materials Edited by Paul M. Lahti (University of Massachusetts at Amherst). Marcel Dekker Inc.:  New York and Basel. 1999. xix + 728 pp. $195.00. ISBN 0-8247-1976-X.

David J. R. Brook
p 3566
Publication Date (Web): February 11, 2000 (Book Review)
DOI: 10.1021/ja9957581

Fluid Metals:  The Liquid−Vapor Transition of Metals By Friedrich Hensel (University of Marburg) and William W. Warren, Jr. (Oregon State University). Princeton University Press:  Princeton, NJ. 1999. xii + 243 pp. $69.50. £42.50 international. ISBN 0-691-05830-X.

Roland Winter
p 3566
Publication Date (Web): February 24, 2000 (Book Review)
DOI: 10.1021/ja995765p
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