Table of Contents

Journal Cover
December 25, 1996
Volume 118, Issue 51
Pages 12873-13118
For Selected Content:

Articles

Exploiting Hydration Hysteresis for High Activity of Cross-Linked Subtilisin Crystals in Acetonitrile

Johann Partridge, Gillian A. Hutcheon, Barry D. Moore, and Peter J. Halling
pp 12873–12877
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja961383x

Multidimensional Marcus Theory:  An Analysis of Concerted Reactions

J. Peter Guthrie
pp 12878–12885
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja961860b

Intrinsic Barriers for Proton Transfer Reactions Involving Electronegative Atoms, and the Water Mediated Proton Switch:  An Analysis in Terms of Marcus Theory

J. Peter Guthrie
pp 12886–12890
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja9618614

Control of Subtilisin Substrate Specificity by Solvent Engineering in Organic Solvents and Supercritical Fluoroform

Apurva K. Chaudhary, Sanjay V. Kamat, Eric J. Beckman, David Nurok, Robert M. Kleyle, Paul Hajdu, and Alan J. Russell
pp 12891–12901
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja9622923

Steric Effects on the Amide Isomer Equilibrium of Prolyl Peptides. Synthesis and Conformational Analysis of N-Acetyl-5-tert-butylproline N‘-Methylamides

Eric Beausoleil and William D. Lubell
pp 12902–12908
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja962013b

Efficient Coupled Oxidation of Heme by an Active Site Variant of Horse Heart Myoglobin

Dean P. Hildebrand, Hai-lun Tang, Yaoguang Luo, Christie L. Hunter, Michael Smith, Gary D. Brayer, and A. Grant Mauk
pp 12909–12915
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja9620043

The Elusive 1,4-Dioxy Biradical:  Revised Mechanism for the Formation of Diol from 3,3-Dimethyldioxetane in Cyclohexadiene

Sean Murphy and Waldemar Adam
pp 12916–12921
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja9540886

Comparison and Search for CH53+ and CH64+ and Their Isoelectronic Boron Analogues BH52+ and BH63+ 1

George A. Olah and Golam Rasul
pp 12922–12924
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja961597e

Photogeneration of Amines from α-Keto Carbamates:  Photochemical Studies

James F. Cameron, C. Grant Willson, and Jean M. J. Fréchet
pp 12925–12937
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja954339a

Alkanediyl Bridged Calix[4]arenes:  Synthesis, Conformational Analysis, and Rotational Barriers

Silvio E. Biali, Volker Böhmer, Shmuel Cohen, George Ferguson, Cordula Grüttner, Flavio Grynszpan, Erich F. Paulus, Iris Thondorf, and Walter Vogt
pp 12938–12949
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja960883n

(Dicyanomethylene)pyran Derivatives with C2v Symmetry:  An Unusual Class of Nonlinear Optical Chromophores

Christopher R. Moylan, Susan Ermer, Steven M. Lovejoy, I-Heng McComb, Doris S. Leung, Rüdiger Wortmann, Peter Krdmer, and Robert J. Twieg
pp 12950–12955
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja962673g

Neighboring Carboxyl Group Participation in the Hydrolysis of Acetals. Hydrolysis of o-Carboxybenzaldehyde cis- and trans-1,2-Cyclohexanediyl Acetals

Thomas H. Fife, Ramesh Bembi, and R. Natarajan
pp 12956–12963
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja953362t

Bimetallic Catalyst Particle Nanostructure. Evolution from Molecular Cluster Precursors

Michael S. Nashner, David M. Somerville, Philip D. Lane, David L. Adler, John R. Shapley, and Ralph G. Nuzzo
pp 12964–12974
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja962174f

Representation of Nonplanar Structures of Nickel(II) 5,15-Disubstituted Porphyrins in Terms of Displacements along the Lowest-Frequency Normal Coordinates of the Macrocycle

Xing-Zhi Song, Walter Jentzen, Song-Ling Jia, Laurent Jaquinod, Daniel J. Nurco, Craig J. Medforth, Kevin M. Smith, and John A. Shelnutt
pp 12975–12988
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja961676q

Structure of the [NiFe] Hydrogenase Active Site:  Evidence for Biologically Uncommon Fe Ligands

Anne Volbeda, Elsa Garcin, Claudine Piras, Antonio L. de Lacey, Victor M. Fernandez, E. Claude Hatchikian, Michel Frey, and Juan Carlos Fontecilla-Camps
pp 12989–12996
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja962270g

Detection of Chiral Analytes through Adduct Formation with Chiral Films Coated onto Emissive Cadmium Selenide Substrates

Dale E. Moore, Kathleen Meeker, and Arthur B. Ellis
pp 12997–13001
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja9630405

Radical and Concerted Mechanisms in Oxidations of Amines, Sulfides, and Alkenes by Peroxynitrite, Peroxynitrous Acid, and the Peroxynitrite−CO2 Adduct:  Density Functional Theory Transition Structures and Energetics

K. N. Houk, Kevin R. Condroski, and William A. Pryor
pp 13002–13006
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja9619521

Ab Initio Modeling of the Endohedral Reactivity of Polyoxometallates:  1. Host−Guest Interactions in [RCN(V12O32)4-] (R = H, CH3, C6H5)

Marie-Madeleine Rohmer, Jérôme Devémy, Roland Wiest, and Marc Bénard
pp 13007–13014
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja962259g

29Si NMR Chemical Shifts of Silicate Species:  Ab Initio Study of Environment and Structure Effects

Viktor Moravetski, Jörg-R. Hill, Uwe Eichler, Anthony K. Cheetham, and Joachim Sauer
pp 13015–13020
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja962506g

Combined Static and Dynamic Density Functional Study of the Ti(IV) Constrained Geometry Catalyst (CpSiH2NH)TiR+. 1. Resting States and Chain Propagation

Tom K. Woo, Peter M. Margl, John C. W. Lohrenz, Peter E. Blöchl, and Tom Ziegler
pp 13021–13030
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja962525q

Conformations and Dynamics of the Essential Cysteinyl-Cysteine Ring Derived from the Acetylcholine Receptor,

Daina Z. Avizonis, Shauna Farr-Jones, Phyllis Anne Kosen, and Vladimir J. Basus
pp 13031–13039
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja962005v

Study of the Constitutive Superficial Water of Precipitated Amorphous Silicas using 1H NMR:  Broad-Line at 4 K and HR MAS at 300 K

C. Dorémieux-Morin, L. Heeribout, C. Dumousseaux, J. Fraissard, H. Hommel, and A. P. Legrand
pp 13040–13045
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja962057k

Nuclear Magnetic Resonance Spectroscopic Study of the Electrochemical Oxidation Product of Methanol on Platinum Black

James B. Day, Pierre-Andre Vuissoz, Eric Oldfield, Andrzej Wieckowski, and Jean-Philippe Ansermet
pp 13046–13050
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja962490u

Self-Assembled Monolayers of Discotic Liquid Crystalline Thioethers, Discoid Disulfides, and Thiols on Gold:  Molecular Engineering of Ordered Surfaces

H. Schönherr, F. J. B. Kremer, S. Kumar, J. A. Rego, H. Wolf, H. Ringsdorf, M. Jaschke, H.-J. Butt, and E. Bamberg
pp 13051–13057
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja962598+

Concerted Reactions of Charge Transfer and Covalent Bond Formation in Ionized Alkylbenzene−Isobutene Clusters. Copolymerization of Styrene−Isobutene and α-Methylstyrene−Isobutene Clusters

M. Samy El-Shall and Zhongde Yu
pp 13058–13068
Publication Date (Web): December 25, 1996 (Article)
DOI: 10.1021/ja962668c

A 240-Fold Electrostatic Rate-Enhancement for Acetylcholinesterase−Substrate Binding Can Be Predicted by the Potential within the Active Site

Huan-Xiang Zhou, James M. Briggs, and J. Andrew McCammon
pp 13069–13070
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja963134e

β-Peptide Foldamers:  Robust Helix Formation in a New Family of β-Amino Acid Oligomers

Daniel H. Appella, Laurie A. Christianson, Isabella L. Karle, Douglas R. Powell, and Samuel H. Gellman
pp 13071–13072
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja963290l

A Positively Charged Residue Bound in the Minor Groove Does Not Alter the Bending of a DNA Duplex

Arthur Glasfeld, Maria A. Schumacher, Kang-Yell Choi, Howard Zalkin, and Richard G. Brennan
pp 13073–13074
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja962416b

Reversible Water and Methanol Activation at the PdSn Bond1

Frank Schager, Klaus Seevogel, Klaus-Richard Pörschke, Magnus Kessler, and Carl Krüger
pp 13075–13076
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja962610y

N → O Acyl-Transfer Reaction Catalyzed by Antibodies

Oguz Ersoy, Roman Fleck, Anthony Sinskey, and Satoru Masamune
pp 13077–13078
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja963026s

A Time-Resolved Electron Paramagnetic Resonance Study on the Excited States of Tetraphenylporphinatozinc(II) Coordinated by p-Pyridyl Nitronyl Nitroxide

Kazuyuki Ishii, Jun-ichi Fujisawa, Yasunori Ohba, and Seigo Yamauchi
pp 13079–13080
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja961661s

A Pressure Sensitive Two-Dimensional Tetracyanoquinodimethane (TCNQ) Salt of a Stable Free Radical

Katherine A. Hutchison, Gordana Srdanov, Reghu Menon, Jean-Christophe P. Gabriel, Brian Knight, and Fred Wudl
pp 13081–13082
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja963174i

A New Approach in the Use of Gradients for Size-Resolved 2D-NMR Experiments

Nicolas Birlirakis and Eric Guittet
pp 13083–13084
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja9627151

Gradient, High Resolution, Magic Angle Sample Spinning NMR

W. E. Maas, F. H. Laukien, and D. G. Cory
pp 13085–13086
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja962227t

Stereostructure of (−)-Chloropeptin I, a Novel Inhibitor of gp120−CD4 Binding, via High- Temperature Molecular Dynamics, Monte Carlo Conformational Searching, and NMR Spectroscopy

Hiroaki Gouda, Keiichi Matsuzaki, Haruo Tanaka, and Shuichi HironoSatoshi ŌmuraJohn A. McCauley, Paul A. Sprengeler, George T. Furst, and Amos B. Smith, III
pp 13087–13088
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja963003d

Biosynthesis of Squalene. Evidence for a Tertiary Cyclopropylcarbinyl Cationic Intermediate in the Rearrangement of Presqualene Diphosphate to Squalene

Michael B. Jarstfer, Brian S. J. Blagg, Daniel H. Rogers, and C. Dale Poulter
pp 13089–13090
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja963308s

The First Example of Isomerization of a Dimetal Complex Involving the Switch of a Metal−Metal Bond Order from 3 to 0. Synthesis and Characterization of the Paramagnetic Mixed-Valence Complex Cation [(XylNC)(OC)Re(μ-Cl)2(μ-dppm)2ReCl(CNXyl)]+ 1

Wengan Wu, Phillip E. Fanwick, and Richard A. Walton
pp 13091–13092
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja962910f

Synthesis and Isolation of a Fullerene Carbocation (C76+)

Robert D. Bolskar, Rajeev S. Mathur, and Christopher A. Reed
pp 13093–13094
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja962294n

Total Synthesis of (−)-Macrolactin A

Amos B. Smith, III and Gregory R. Ott
pp 13095–13096
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja963543a

Galactose Oxidase Model Complexes:  Catalytic Reactivities

Yadong Wang and T. D. P. Stack
pp 13097–13098
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja9621354

Asymmetric Conjugate Nucleophilic Addition of Organolithiums to Chromium (Menthyloxy)(aryl)carbene Complexes

José Barluenga, Andrés A. Trabanco, Josefa Flórez, Santiago García-Granda, and Eduardo Martín
pp 13099–13100
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja962770+

Linear Gold(I) Coordination Polymers:  A Polymer with a Unique Sine Wave Conformation

Michael J. Irwin, Jagadese J. Vittal, Glenn P. A. Yap, and Richard J. Puddephatt
pp 13101–13102
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja963441k

Asymmetric 1,7-Hydride Shift:  The Highly Asymmetric Reduction of α,β-Unsaturated Ketones to Secondary Alcohols via a Novel Tandem Michael Addition−Meerwein−Ponndorf−Verley Reduction

Kiyoharu Nishide, Yukihiro Shigeta, Kenichi Obata, and Manabu Node
pp 13103–13104
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja963098j

Spectroscopic Detection of a Hydrogen Fluoride Complex of Iridium

Ben P. Patel and Robert H. Crabtree
pp 13105–13106
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja9628462

Novel Vancomycin Dimers with Activity against Vancomycin-Resistant Enterococci

Uma N. Sundram and John H. GriffinThalia I. Nicas
pp 13107–13108
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja9621298

Palladium Alkoxides:  Potential Intermediacy in Catalytic Amination, Reductive Elimination of Ethers, and Catalytic Etheration. Comments on Alcohol Elimination from Ir(III)

Grace Mann and John F. Hartwig
pp 13109–13110
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja963273w

Radical-Initiated Functionalization of Methane and Ethane in Fuming Sulfuric Acid

Naomi Basickes, Terrence E. Hogan, and Ayusman Sen
pp 13111–13112
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja9632365

Synthesis of Artificial Chitin:  Irreversible Catalytic Behavior of a Glycosyl Hydrolase through a Transition State Analogue Substrate

Shiro Kobayashi, Toshitsugu Kiyosada, and Shin-ichiro Shoda
pp 13113–13114
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja963011u

The Oxidation State of Ce in the Sandwich Molecule Cerocene

N. M. Edelstein, P. G. Allen, J. J. Bucher, D. K. Shuh, and C. D. SofieldN. Kaltsoyannis, G. H. Maunder, M. R. Russo, and A. Sella
pp 13115–13116
Publication Date (Web): December 25, 1996 (Communication)
DOI: 10.1021/ja962915c

Stereochemistry and Reactions of Presilphiperfolanol:  A Branch Point Marker in Triquinane Sesquiterpene Biogenesis J. Am. Chem. Soc. 1996, 118, 9249−9254

Robert M. Coates, Zhanqi Ho, Michael Klobus, and Scott R. Wilson
p 13117
Publication Date (Web): December 25, 1996 (Addition/Correction)
DOI: 10.1021/ja9654589

Current Trends in Polymer Photochemistry Edited by Norman S. Allen and Michele Edge (Manchester Metro University) and Ignazio R. Bellobono and Elena Selli (University Degli Studi di Milano). Ellis Horwood:  New York. 1995. x + 382 pp. ISBN 0-13-138785.

Charles E. Hoyle
p 13117
Publication Date (Web): December 25, 1996 (Book Review)
DOI: 10.1021/ja965512l

Stereochemistry of Radical Reactions:  Concepts, Guidelines, and Synthetic Applications By Dennis P. Curran (University of Pittsburgh), Ned A. Porter (Duke University), and Bernd Giese (University of Basel). VCH:  New York. 1995. xii + 280 pp. $95.00. ISBN 3-527-29372-8.

Howard E. Smith
pp 13117–13118
Publication Date (Web): December 25, 1996 (Book Review)
DOI: 10.1021/ja965592t

Advances in Metal-Organic Chemistry, Vol. 4 Edited by Lanny S. Liebeskind (Emory University). JAI:  Greenwich, CT. 1995. x + 317 pp. $97.50. ISBN 1-55938-709-2.

Howard Alper
p 13118
Publication Date (Web): December 25, 1996 (Book Review)
DOI: 10.1021/ja965563i

Polymers and Other Advanced Materials. Emerging Technologies and Business Opportunities Edited by Paras N. Prasad (State University of New York at Buffalo), James E. Mark (University of Cincinnati), and Ting Joo Fai (Standard and Industrial Research Institute of Malaysia, Kuala Lumpur, Malaysia). Plenum Press:  New York. 1995. xviii + 791 pp. $65.00. ISBN 0-306-45210-3.

William J. Welsh
p 13118
Publication Date (Web): December 25, 1996 (Book Review)
DOI: 10.1021/ja965584c
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