Table of Contents

Journal Cover
September 13, 2006
Volume 128, Issue 36
Pages 11730-12031
For Selected Content:

COMMUNICATIONS

Interaction Energy Contributions of H-Bonded and Stacked Structures of the AT and GC DNA Base Pairs from the Combined Density Functional Theory and Intermolecular Perturbation Theory Approach

Andreas Hesselmann, Georg Jansen, and Martin Schütz
pp 11730–11731
Publication Date (Web): August 22, 2006 (Communication)
DOI: 10.1021/ja0633363

Two-Dimensional Electronic Conjugation: Cooperative Folding and Fluorescence Switching

Xuan Jiang, John C. Bollinger, and Dongwhan Lee
pp 11732–11733
Publication Date (Web): August 19, 2006 (Communication)
DOI: 10.1021/ja063413u

A Metal−Organic Framework with Entatic Metal Centers Exhibiting High Gas Adsorption Affinity

Shengqian Ma and Hong-Cai Zhou
pp 11734–11735
Publication Date (Web): August 22, 2006 (Communication)
DOI: 10.1021/ja063538z

Imaging Farnesyl Protein Transferase Using a Topologically Activated Probe

Wellington Pham, Pamela Pantazopoulos, and Anna Moore
pp 11736–11737
Publication Date (Web): August 18, 2006 (Communication)
DOI: 10.1021/ja063599x

X-ray Scattering Study of the Effect of Hydration on the Cross-β Structure of Amyloid Fibrils

Adam M. Squires, Glyn L. Devlin, Sally L. Gras, Anna K. Tickler, Cait E. MacPhee, and Christopher M. Dobson
pp 11738–11739
Publication Date (Web): August 22, 2006 (Communication)
DOI: 10.1021/ja063751v

Hydrogen Storage in Chemically Reducible Mesoporous and Microporous Ti Oxides

Xin Hu, Boris O. Skadtchenko, Michel Trudeau, and David M. Antonelli
pp 11740–11741
Publication Date (Web): August 22, 2006 (Communication)
DOI: 10.1021/ja0639766

Simulated Unfolded-State Ensemble and the Experimental NMR Structures of Villin Headpiece Yield Similar Wide-Angle Solution X-ray Scattering Profiles

Bojan Zagrovic and Vijay S. Pande
pp 11742–11743
Publication Date (Web): August 17, 2006 (Communication)
DOI: 10.1021/ja0640694

Unique Organic−Inorganic Interactions Leading to a Structure-Directed Microporous Aluminophosphate Crystallization as Observed with in situ Raman Spectroscopy

Matthew G. O'Brien, Andrew M. Beale, C. Richard A. Catlow, and Bert M. Weckhuysen
pp 11744–11745
Publication Date (Web): August 19, 2006 (Communication)
DOI: 10.1021/ja064230a

A Metallic (EDT-DSDTFVSDS)2·FeBr4 Salt: Antiferromagnetic Ordering of d Spins of FeBr4- Ions and Anomalous Magnetoresistance Due to Preferential π−d Interaction

Toshiki Hayashi, Xunwen Xiao, Hideki Fujiwara, Toyonari Sugimoto, Hiroyuki Nakazumi, Satoru Noguchi, Tsutomu Fujimoto, Syuma Yasuzuka, Harukazu Yoshino, Keizo Murata, Takehiko Mori, and Hiroko Aruga-Katori
pp 11746–11747
Publication Date (Web): August 19, 2006 (Communication)
DOI: 10.1021/ja064307v

Direct C−H Arylation of (Hetero)arenes with Aryl Iodides via Rhodium Catalysis

Shuichi Yanagisawa, Tomoko Sudo, Ryoji Noyori, and Kenichiro Itami
pp 11748–11749
Publication Date (Web): August 17, 2006 (Communication)
DOI: 10.1021/ja064500p

Externally Tunable Dynamic Confinement Effect in Organosilica Sol−Gels

Marci C. Burt and Bakul C. Dave
pp 11750–11751
Publication Date (Web): August 22, 2006 (Communication)
DOI: 10.1021/ja064928o

A Convergent and Enantioselective Synthesis of (+)-Amurensinine via Selective C−H and C−C Bond Insertion Reactions

Uttam K. Tambar, David C. Ebner, and Brian M. Stoltz
pp 11752–11753
Publication Date (Web): August 17, 2006 (Communication)
DOI: 10.1021/ja0651815

Rhodium-Catalyzed Stereoselective Formation of Z-Enamines from Allylaziridines

France-Aimée Alphonse and Andrei K. Yudin
pp 11754–11755
Publication Date (Web): August 22, 2006 (Communication)
DOI: 10.1021/ja0632557

Removal of a Single Minor-Groove Functional Group Eliminates A-Tract Curvature

Meena, Zhenhua Sun, Christine Mulligan, and Larry W. McLaughlin
pp 11756–11757
Publication Date (Web): August 22, 2006 (Communication)
DOI: 10.1021/ja0632310

Monodisperse Lanthanide Oxysulfide Nanocrystals

Fei Zhao, Mei Yuan, Wen Zhang, and Song Gao
pp 11758–11759
Publication Date (Web): August 22, 2006 (Communication)
DOI: 10.1021/ja0638410

Phosphorus-Containing Hybrid Calixphyrins: Promising Mixed-Donor Ligands for Visible and Efficient Palladium Catalysts

Yoshihiro Matano, Tooru Miyajima, Takashi Nakabuchi, Hiroshi Imahori, Noriaki Ochi, and Shigeyoshi Sakaki
pp 11760–11761
Publication Date (Web): August 19, 2006 (Communication)
DOI: 10.1021/ja0640039

Self-Coiling of Ag2V4O11 Nanobelts into Perfect Nanorings and Microloops

Guozhen Shen and Di Chen
pp 11762–11763
Publication Date (Web): August 17, 2006 (Communication)
DOI: 10.1021/ja064123g

Progressive−Convergent Elucidation of Stereochemistry in Complex Polyols. The Absolute Configuration of (−)-Sagittamide A

Sarah C. Lievens and Tadeusz F. Molinski
pp 11764–11765
Publication Date (Web): August 18, 2006 (Communication)
DOI: 10.1021/ja063735y

Enantioselective Intramolecular [2 + 2 + 2] Cycloaddition of 1,4-Diene-ynes: A New Approach to the Construction of Quaternary Carbon Stereocenters

Takanori Shibata and Yu-ki Tahara
pp 11766–11767
Publication Date (Web): August 22, 2006 (Communication)
DOI: 10.1021/ja0639160

Rate Acceleration in Olefin Metathesis through a Fluorine−Ruthenium Interaction

Tobias Ritter, Michael W. Day, and Robert H. Grubbs
pp 11768–11769
Publication Date (Web): August 22, 2006 (Communication)
DOI: 10.1021/ja064091x

Sequential Catalytic Isomerization and Allylic Substitution. Conversion of Racemic Branched Allylic Carbonates to Enantioenriched Allylic Substitution Products

Shashank Shekhar, Brian Trantow, Andreas Leitner, and John F. Hartwig
pp 11770–11771
Publication Date (Web): August 19, 2006 (Communication)
DOI: 10.1021/ja0644273

Versatile, Fragrant, Convertible Isonitriles

Michael C. Pirrung and Subir Ghorai
pp 11772–11773
Publication Date (Web): August 19, 2006 (Communication)
DOI: 10.1021/ja0644374

Highly Efficient Rh(I)-Catalyzed Asymmetric Hydrogenation of Enamines Using Monodente Spiro Phosphonite Ligands

Guo-Hua Hou, Jian-Hua Xie, Li-Xin Wang, and Qi-Lin Zhou
pp 11774–11775
Publication Date (Web): August 19, 2006 (Communication)
DOI: 10.1021/ja0644778

Mixed La−Li Heterobimetallic Complexes for Tertiary Nitroaldol Resolution

Shin-ya Tosaki, Keiichi Hara, Vijay Gnanadesikan, Hiroyuki Morimoto, Shinji Harada, Mari Sugita, Noriyuki Yamagiwa, Shigeki Matsunaga, and Masakatsu Shibasaki
pp 11776–11777
Publication Date (Web): August 19, 2006 (Communication)
DOI: 10.1021/ja064858l

ARTICLES

Design of a Bacterial Host for Site-Specific Incorporation of p-Bromophenylalanine into Recombinant Proteins

Inchan Kwon, Pin Wang, and David A. Tirrell
pp 11778–11783
Publication Date (Web): August 18, 2006 (Article)
DOI: 10.1021/ja0626281

Facile Amine Formation by Intermolecular Catalytic Amidation of Carbon−Hydrogen Bonds

Manuel R. Fructos, Swiatoslaw Trofimenko, M. Mar Díaz-Requejo, and Pedro J. Pérez
pp 11784–11791
Publication Date (Web): August 19, 2006 (Article)
DOI: 10.1021/ja0627850

Ion/Molecule Reactions of Cation Radicals Formed from Protonated Polypeptides via Gas-Phase Ion/Ion Electron Transfer

Yu Xia, Paul A. Chrisman, Sharon J. Pitteri, David E. Erickson, and Scott A. McLuckey
pp 11792–11798
Publication Date (Web): August 18, 2006 (Article)
DOI: 10.1021/ja063248i

Total Synthesis of Piericidin A1 and B1 and Key Analogues

Martin J. Schnermann, F. Anthony Romero, Inkyu Hwang, Eiko Nakamaru-Ogiso, Takao Yagi, and Dale L. Boger
pp 11799–11807
Publication Date (Web): August 18, 2006 (Article)
DOI: 10.1021/ja0632862

Metallosupramolecular Chemistry with Bis(benzene-o-dithiolato) Ligands

Thorsten Kreickmann, Christian Diedrich, Tania Pape, Han Vinh Huynh, Stefan Grimme, and F. Ekkehardt Hahn
pp 11808–11819
Publication Date (Web): August 19, 2006 (Article)
DOI: 10.1021/ja063655u

Hydrogen-Bond Symmetry in Zwitterionic Phthalate Anions: Symmetry Breaking by Solvation

Charles L. Perrin and Jonathan S. Lau
pp 11820–11824
Publication Date (Web): August 17, 2006 (Article)
DOI: 10.1021/ja063797o

Separation of Tricomponent Protein Mixtures with Triblock Nanorods

Byung-Keun Oh, Sungho Park, Jill E. Millstone, Seung Woo Lee, Ki-Bum Lee, and Chad A. Mirkin
pp 11825–11829
Publication Date (Web): August 22, 2006 (Article)
DOI: 10.1021/ja057525h

Binding Free Energy Contributions of Interfacial Waters in HIV-1 Protease/Inhibitor Complexes

Yipin Lu, Chao-Yie Yang, and Shaomeng Wang
pp 11830–11839
Publication Date (Web): August 19, 2006 (Article)
DOI: 10.1021/ja058042g

Investigation of Two-Photon Absorption Properties in Branched Alkene and Alkyne Chromophores

Ajit Bhaskar, Guda Ramakrishna, Zhikuan Lu, Robert Twieg, Joel M. Hales, David J. Hagan, Eric Van Stryland, and Theodore Goodson III
pp 11840–11849
Publication Date (Web): August 22, 2006 (Article)
DOI: 10.1021/ja060630m

Resonance Bonding Patterns of Peroxide Chemistry: Cyclic Three-Center Hyperbonding in “Phosphadioxirane” Intermediates

Jeremiah J. Wilke and Frank Weinhold
pp 11850–11859
Publication Date (Web): August 19, 2006 (Article)
DOI: 10.1021/ja060676f

Optimization, Standardization, and Testing of a New NMR Method for the Determination of Zeolite Host−Organic Guest Crystal Structures

Colin A. Fyfe and Darren H. Brouwer
pp 11860–11871
Publication Date (Web): August 17, 2006 (Article)
DOI: 10.1021/ja060744y

Cruciforms as Functional Fluorophores: Response to Protons and Selected Metal Ions

Anthony J. Zucchero, James N. Wilson, and Uwe H. F. Bunz
pp 11872–11881
Publication Date (Web): August 19, 2006 (Article)
DOI: 10.1021/ja061112e

Phage Display Affords Peptides that Modulate β-Amyloid Aggregation

Brendan P. Orner, Lin Liu, Regina M. Murphy, and Laura L. Kiessling
pp 11882–11889
Publication Date (Web): August 17, 2006 (Article)
DOI: 10.1021/ja0619861

FRET Templated by G-Quadruplex DNA: A Specific Ternary Interaction Using an Original Pair of Donor/Acceptor Partners

Clémence Allain, David Monchaud, and Marie-Paule Teulade-Fichou
pp 11890–11893
Publication Date (Web): August 19, 2006 (Article)
DOI: 10.1021/ja062193h

Femtosecond Time- and Wavelength-Resolved Fluorescence and Absorption Spectroscopic Study of the Excited States of Adenosine and an Adenine Oligomer

Wai-Ming Kwok, Chensheng Ma, and David Lee Phillips
pp 11894–11905
Publication Date (Web): August 19, 2006 (Article)
DOI: 10.1021/ja0622002

Synthetic Studies of Complex Immunostimulants from Quillaja saponaria: Synthesis of the Potent Clinical Immunoadjuvant QS-21Aapi

Yong-Jae Kim, Pengfei Wang, Mauricio Navarro-Villalobos, Bridget D. Rohde, JohnMark DerryBerry, and David Y. Gin
pp 11906–11915
Publication Date (Web): August 22, 2006 (Article)
DOI: 10.1021/ja062364i

Isolation, Structure, and Absolute Stereochemistry of Platensimycin, A Broad Spectrum Antibiotic Discovered Using an Antisense Differential Sensitivity Strategy

Sheo B. Singh, Hiranthi Jayasuriya, John G. Ondeyka, Kithsiri B. Herath, Chaowei Zhang, Deborah L. Zink, Nancy N. Tsou, Richard G. Ball, Angela Basilio, Olga Genilloud, Maria Teresa Diez, Francisca Vicente, Fernando Pelaez, Katherine Young, and Jun Wang
pp 11916–11920
Publication Date (Web): August 19, 2006 (Article)
DOI: 10.1021/ja062232p

Rational Synthesis, Self-Assembly, and Optical Properties of PbS−Au Heterogeneous Nanostructures via Preferential Deposition

Jian Yang, Hendry Izaac Elim, QingBo Zhang, Jim Yang Lee, and Wei Ji
pp 11921–11926
Publication Date (Web): August 17, 2006 (Article)
DOI: 10.1021/ja062494r

Silapropargyl/Silaallenyl and Silylene Acetylide Complexes of [Cp(CO)2W]+. Theoretical Study of Their Interesting Bonding Nature and Formation Reaction

Mausumi Ray, Yoshihide Nakao, Hirofumi Sato, Hiroyuki Sakaba, and Shigeyoshi Sakaki
pp 11927–11939
Publication Date (Web): August 22, 2006 (Article)
DOI: 10.1021/ja0625374

Substituents on Quinone Methides Strongly Modulate Formation and Stability of Their Nucleophilic Adducts

Emily E. Weinert, Ruggero Dondi, Stefano Colloredo-Melz, Kristen N. Frankenfield, Charles H. Mitchell, Mauro Freccero, and Steven E. Rokita
pp 11940–11947
Publication Date (Web): August 17, 2006 (Article)
DOI: 10.1021/ja062948k

Practical Approach for the Stereoselective Introduction of β-Arabinofuranosides

Xiangming Zhu, Sameer Kawatkar, Yu Rao, and Geert-Jan Boons
pp 11948–11957
Publication Date (Web): August 22, 2006 (Article)
DOI: 10.1021/ja0629817

Room-Temperature Biosynthesis of Ferroelectric Barium Titanate Nanoparticles

Vipul Bansal, Pankaj Poddar, Absar Ahmad, and Murali Sastry
pp 11958–11963
Publication Date (Web): August 19, 2006 (Article)
DOI: 10.1021/ja063011m

Comparison of the Specificity of Interaction of Cellular and Viral Zinc-Binding Domains with 2-Mercaptobenzamide Thioesters

Lisa M. Miller Jenkins, Stewart R. Durell, Andrew T. Maynard, Stephen J. Stahl, John K. Inman, Ettore Appella, Pascale Legault, and James G. Omichinski
pp 11964–11976
Publication Date (Web): August 17, 2006 (Article)
DOI: 10.1021/ja063329e

Large Molecular Assembly of Amphotericin B Formed in Ergosterol-Containing Membrane Evidenced by Solid-State NMR of Intramolecular Bridged Derivative

Nobuaki Matsumori, Yuri Sawada, and Michio Murata
pp 11977–11984
Publication Date (Web): August 17, 2006 (Article)
DOI: 10.1021/ja063433w

Discovery of a Solid Solution of Enantiomers in a Racemate-Forming System by Seeding

Jun Huang, Shuang Chen, Ilia A. Guzei, and Lian Yu
pp 11985–11992
Publication Date (Web): August 17, 2006 (Article)
DOI: 10.1021/ja063450l

Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile

Curtis P. Berlinguette and R. H. Holm
pp 11993–12000
Publication Date (Web): August 18, 2006 (Article)
DOI: 10.1021/ja063604x

Chemical Functionalization of Boron−Nitride Nanotubes with NH3 and Amino Functional Groups

Xiaojun Wu, Wei An, and Xiao Cheng Zeng
pp 12001–12006
Publication Date (Web): August 17, 2006 (Article)
DOI: 10.1021/ja063653+

Molecular Structure and Dynamics at the Interfaces within Bulk Heterojunction Materials for Solar Cells

Cuiying Yang, Jerry G. Hu, and Alan J. Heeger
pp 12007–12013
Publication Date (Web): August 17, 2006 (Article)
DOI: 10.1021/ja063707f

Micelle Density Regulated by a Reversible Switch of Protein Secondary Structure

Rory E. Sallach, Min Wei, Nilanjana Biswas, Vincent P. Conticello, Sébastien Lecommandoux, Richard A. Dluhy, and Elliot L. Chaikof
pp 12014–12019
Publication Date (Web): August 19, 2006 (Article)
DOI: 10.1021/ja0638509

Why Does Perfluorination Render Bicyclo[2.2.0]hex-1(4)-ene Stable toward Dimerization? Calculations Provide the Answers

G. Robert Shelton, David A. Hrovat, Haiyan Wei, and Weston Thatcher Borden
pp 12020–12027
Publication Date (Web): August 17, 2006 (Article)
DOI: 10.1021/ja063848h

ADDITIONS AND CORRECTIONS

Molybdenum-Catalyzed Asymmetric Allylation of 3-Alkyloxindoles: Application to the Formal Total Synthesis of (−)-Physostigmine [J. Am. Chem. Soc. 2006, 128, 4590−4591].

Barry M. Trost and Yong Zhang
p 12028
Publication Date (Web): August 15, 2006 (Addition/Correction)
DOI: 10.1021/ja069970y

BOOK REVIEWS

Medicinal Chemistry of Bioactive Natural Products Edited by Xiao-Tian Liang and Wei-Shuo Fang (Chinese Academy of Medical Sciences, Beijing, China). John Wiley & Sons, Inc.: Hoboken, NJ, 2006. xx + 460 pp. $89.95. ISBN 0-471-66007-8.

George A. O'Doherty
p 12029
Publication Date (Web): July 21, 2006 (Book Review)
DOI: 10.1021/ja069731a

Organometallics. Third, Completely Revised and Extended Edition By Christoph Elschenbroich (Philipps-Universität Marburg). Wiley-VCH Verlag GmbH & Co. KgaA: Weinheim. 2006. xvi + 804 pp. $95.00. ISBN 3-527-29390-6.

Christopher W. Bielawski
pp 12029–12030
Publication Date (Web): August 12, 2006 (Book Review)
DOI: 10.1021/ja069735f

Polymer Analysis, Polymer Theory. Advances in Polymer Science, 182 With Contributions By S. Anantawaraskul, H. Aoki, A. Blumen, A. A. Gurtovenko, H. Hillborg, S. Ito, H. Schönherr, J. B. P. Soares, G. J. Vancso, and P. M. Wood-Adams. Springer: Berlin, Heidelberg, New York. 2005. x + 308 pp. $269.00. ISBN 3-540-25548-6.

Bob A. Howell
p 12030
Publication Date (Web): July 29, 2006 (Book Review)
DOI: 10.1021/ja0598863

Vibrational Spectroscopy of Biological and Polymeric Materials Edited by Vasilis G. Gregoriou (Foundation of Research and Technology, Hellas, Greece) and Mark S. Braiman (Syracuse University, New York, USA). CRC Press/Taylor and Francis Group: Boca Raton, FL. 2006. xvi + 430 pp. $139.95. ISBN 1-57444-539-1.

Garth J. Simpson
pp 12030–12031
Publication Date (Web): July 28, 2006 (Book Review)
DOI: 10.1021/ja069721+

Radiative Decay Engineering. Topics in Fluorescence Spectroscopy, Volume 8 Edited by Chris D. Geddes (University of Maryland Biotechnology Institute, Baltimore, MD) and Joseph R. Lakowicz (University of Maryland School of Medicine, Baltimore, MD). Springer: New York. 2005. xviii + 458 pp. $149.00. ISBN 0-387-22662-1.

Gary A. Baker
pp 12031–12032
Publication Date (Web): August 18, 2006 (Book Review)
DOI: 10.1021/ja0597552

Recent Advances in the Theory of Chemical and Physical Systems. Progress in Theoretical Chemistry and Physics, Volume 15 Edited by Jean-Pierre Julien (CNRS and UJF, Grenoble, France), Jean Maruani (CNRS and UPMC, Paris, France), Didier Mayou (CNRS and UJF, Grenoble), Stephen Wilson (Rutherford Appleton Laboratory, Oxfordshire, UK), and Gerardo Delgado-Barrio (CSIC, Madrid, Spain). Springer: Dordrecht. 2006. xii + 592 pp. $179.00. ISBN 1-4020-4527-1.

p 12031
Publication Date (Web): August 12, 2006 (Book Review)
DOI: 10.1021/ja069765i
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