bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical and experimental study of the complexation of valinomycin with ammonium cation
Authors: Dybal Jiří , Ehala Sille , Kašička Václav , Makrlík Emanuel
Published: June 2008

The interactions of valinomycin, macrocyclic depsipeptide antibiotic ionophore, with ammonium cation NH4+ have been investigated. Using quantum mechanical density functional theory (DFT) calculations, the most probable structure of the valinomycin‐NH4+ complex species was predicted. In this complex, the ammonium cation is bound partly by three strong hydrogen bonds to three ester carbonyl oxygen atoms of valinomycin and partly by somewhat weaker hydrogen bonds to the remaining three ester carbonyl groups of the valinomycin ligand. The strength of the valinomycin‐NH4+ complex was evaluated experimentally by capillary affinity electrophoresis. From the dependence of valinomycin effective electrophoretic mobility on the ammonium ion concentration in the background electrolyte, the apparent binding (association, stability) constant (Kb) of the valinomycin‐NH4+ complex in methanol was evaluated as log Kb = 1.52 ± 0.22. © 2008 Wiley Periodicals, Inc. Biopolymers 89: 1055–1060, 2008.

This article was originally published online as an accepted preprint. The “Published Online” date corresponds to the preprint version. You can request a copy of the preprint by emailing the Biopolymers editorial office at biopolymers@wiley.com
Genome‐scale model for Clostridium acetobutylicum: Part II. Development of specific proton flux states and numerically determined sub‐systems
Authors: Senger Ryan S. , Papoutsakis Eleftherios T.
Published: June 2008

A regulated genome‐scale model for Clostridium acetobutylicum ATCC 824 was developed based on its metabolic network reconstruction. To aid model convergence and limit the number of flux‐vector possible solutions (the size of the phenotypic solution space), modeling strategies were developed to impose a new type of constraint at the endo–exo‐metabolome interface. This constraint is termed the specific proton flux state, and its use enabled accurate prediction of the extracellular medium pH during vegetative growth of batch cultures. The specific proton flux refers to the influx or efflux of free protons (per unit biomass) across the cell membrane. A specific proton flux state encompasses a defined range of specific proton fluxes and includes all metabolic flux distributions resulting in a specific proton flux within this range. Effective simulation of time‐course batch fermentation required the use of independent flux balance solutions from an optimum set of specific proton flux states. Using a real‐coded genetic algorithm to optimize temporal bounds of specific proton flux states, we show that six separate specific proton flux states are required to model vegetative‐growth metabolism and accurately predict the extracellular medium pH. Further, we define the apparent proton flux stoichiometry per weak acids efflux and show that this value decreases from ∼3.5 mol of protons secreted per mole of weak acids at the start of the culture to ∼0 at the end of vegetative growth. Calculations revealed that when specific weak acids production is maximized in vegetative growth, the net proton exchange between the cell and environment occurs primarily through weak acids efflux (apparent proton flux stoichiometry is 1). However, proton efflux through cation channels during the early stages of acidogenesis was found to be significant. We have also developed the concept of numerically determined sub‐systems of genome‐scale metabolic networks here as a sub‐network with a one‐dimensional null space basis set. A numerically determined sub‐system was constructed in the genome‐scale metabolic network to study the flux magnitudes and directions of acetylornithine transaminase, alanine racemase, and D‐alanine transaminase. These results were then used to establish additional constraints for the genome‐scale model. Biotechnol. Bioeng. © 2008 Wiley Periodicals, Inc.
Work and family balance: How community college faculty cope
Authors: Sallee Margaret W.
Published: June 2008

This chapter reports the results of a survey of faculty at one community college in the West. Findings suggest that balancing work and family remains a grave concern for faculty.
Morphology‐Controlled Assembly of ZnO Nanostructures: A Bioinspired Method and Visible Luminescence
Authors: Begum Gousia , Manorama Sunkara V. , Singh Shashi , Rana Rohit Kumar
Published: June 2008

In a bioinspired methodology, positively charged polypeptides and polyamines directly catalyse ZnO mineralization under “green” conditions of room temperature and neutral pH. The polyamines not only act as mineralizing agents for the formation of ZnO nanoparticles, but also self‐assemble the nanoparticles to form spindle‐like morphologies at these very ambient conditions. Both the directional growth of ZnO and its luminescent property have a pH dependency. At higher pH, the ZnO shape changes to a rodlike morphology that exhibits green photoluminescence with different intensity than that for ZnO spindles.
ChemInform Abstract: Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8 (T: S, Se). Part 3. The Crystal Structure of Triclinic Mg2Mo6Se8.
Authors: Levi E. , Mitelman A. , Isnard O. , Brunelli M. , Aurbach D.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Structure and Magnetic Properties of Ternary Potassium Lanthanide Oxides KLnO2 (Ln: Y, Nd, Sm—Lu).
Authors: Dong Bin , Doi Yoshihiro , Hinatsu Yukio
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Synthesis and Photocatalytic Property of Triple‐Layered Perovskite Compounds, A2Ca4TaxNb6‐xO20 (A = K, H; x = 0, 2, 3, 4, and 6).
Authors: Li Yibin , Wu Jihuai , Huang Yunfang , Huang Miaoliang
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Microwave‐Assisted Aromatic C—O Bond Formation: A Rapid and Efficient Method for the Synthesis of Aryl Ethers.
Authors: Xu Boyan , Xue Jijun , Zhu Jianrong , Li Ying
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Novel Palladium‐on‐Carbon/Diphenyl Sulfide Complex for Chemoselective Hydrogenation: Preparation, Characterization, and Application.
Authors: Mori Akinori , Mizusaki Tomoteru , Kawase Masami , Maegawa Tomohiro , Monguchi Yasunari , Takao Shinobu , Takagi Yukio , Sajiki Hironao
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: An Efficient Protocol of Iridium‐Catalyzed Allylic Substitution Reaction and Its Application to Polymer Synthesis: Complementary Regio‐ and Stereoselective Allylation Polycondensation via Ir and Pd Catalyses.
Authors: Nomura Nobuyoshi , Komiyama Susumu , Kasugai Hiroyuki , Saba Marie
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Synthesis of Chloroesters by the Cleavage of Cyclic and Acyclic Ethers Using La(NO3)3×6H2O as a Mild and Efficient Catalyst under Solvent‐Free Conditions.
Authors: Suresh V. , Suryakiran N. , Rajesh K. , Selvam J. Jon Paul , Srinivasulu M. , Venkateswarlu Y.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: A Cheap Metal for a “Noble” Task: Preparative and Mechanistic Aspects of Cycloisomerization and Cycloaddition Reactions Catalyzed by Low‐Valent Iron Complexes.
Authors: Fuerstner Alois , Majima Keisuke , Martin Ruben , Krause Helga , Kattnig Egmont , Goddard Richard , Lehmann Christian W.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Utilizing the High Dielectric Constant of Water: Efficient Synthesis of Amino Acid Derivatized Cyclobutenones.
Authors: Li Jun , Han Yongbin , Freedman Teresa B. , Zhu Shifa , Kerwood Deborah J. , Luk Yan‐Yeung
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Synthesis of Z‐N‐Alkenylformamides.
Authors: Sanchez Lucina G. , Somanathan Ratnasamy , Hellberg Lars H. , Aguirre Gerardo
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Iron‐Catalyzed C—N Cross‐Coupling of Sulfoximines with Aryl Iodides.
Authors: Correa Arkaitz , Bolm Carsten
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Rationally‐Designed S‐Chiral Bissulfinamides as Highly Enantioselective Organocatalysts for Reduction of Ketimines.
Authors: Pei Dong , Zhang Yu , Wei Siyu , Wang Meng , Sun Jian
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Regioselective Ring‐Opening of Epoxides with Amines Using Zn(ClO4)2—Al2O3 as a Heterogeneous and Recyclable Catalyst.
Authors: Maheswara Muchchintala , Rao Kummari Subba Venkata , Do Jung Yun
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Nitrile Biotransformations for the Synthesis of Enantiomerically Enriched β2‐, and β3‐Hydroxy and ‐Alkoxy Acids and Amides, a Dramatic O‐Substituent Effect of the Substrates on Enantioselectivity.
Authors: Ma Da‐You , Wang De‐Xian , Pan Jie , Huang Zhi‐Tang , Wang Mei‐Xiang
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Microwave‐Induced Solvent‐Free Synthesis of β‐Keto Esters Using Montmorillonite KSF and K10 Clays as Efficient and Recyclable Heterogeneous Solid Acids.
Authors: Marvi Omid , Habibi Davood
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: First Example of Diels—Alder Reaction of 4‐(1‐Ethenylsubstituted)‐3‐methylisoxazoles with Acetylenedicarboxylates.
Authors: Chimichi Stefano , Cosimelli Barbara , Boccalini Marco , Matteucci Alessandra , Messaoudi Abdelatif
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Aerobic Ligand‐Free Suzuki Coupling Reaction of Aryl Chlorides Catalyzed by in situ Generated Palladium Nanoparticles at Room Temperature.
Authors: Han Wei , Liu Chun , Jin Zilin
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Synthesis of Tri(indolyl)methanes Mediated by Acidic Ionic Liquid.
Authors: Gu Da‐Gong , Ji Shun‐Jun
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Sustainable Conjugate Addition of Indoles Catalyzed by Acidic Ionic Liquid Immobilized on Silica.
Authors: Hagiwara Hisahiro , Sekifuji Masayoshi , Hoshi Takashi , Suzuki Toshio , Quanxi Bao , Qiao Kun , Yokoyama Chiaki
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: C—H Functionalization/C—N Bond Formation: Copper‐Catalyzed Synthesis of Benzimidazoles from Amidines.
Authors: Brasche Gordon , Buchwald Stephen L.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Exo Selective Cycloaddition Reactions of α‐Hydroxy Cyclic Nitronates to Allylic Alcohols in the Presence of Magnesium Ions Leading to Isoxazolidines and Isoxazolines.
Authors: Nishiuchi Masaki , Sato Hiroyasu , Umemoto Nao , Murakami Sayoko
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Convenient Preparation of 2,7,8‐Trimethyl‐6‐hydroxychroman‐2‐carboxylic Acid (γ‐Trolox).
Authors: Hyatt John A.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Reaction of 2‐Alkylthiopyridinium Salts with Active Methylene Compounds.
Authors: Hoshino Masato , Taguchi Tsuyoshi , Nakano Hiroto , Tomisawa Hiroshi , Matsuzaki Hisao , Fujita Reiko
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Reaction of 2,3‐Dioxopyrrolo[2,1‐a]isoquinolines with Anthrone.
Authors: Surikova O. V. , Mikhailovskii A. G.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: A Simple General Approach to Phenanthridinones via Palladium‐Catalyzed Intramolecular Direct Arene Arylation.
Authors: Bernini Roberta , Cacchi Sandro , Fabrizi Giancarlo , Sferrazza Alessio
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Three‐Component, One‐Pot Synthesis of Novel 2,4‐Substituted 5‐Azolylthiopyrimidine Library for Screening Against Antiinfluenza Virus A.
Authors: Cheng Gang , Li Shukun , Li Jingya , Hu Youhong
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Design and Synthesis of 1‐Benzazepine Derivatives by Strategic Utilization of Suzuki—Miyaura Cross‐Coupling, Aza‐Claisen Rearrangement and Ring‐Closing Metathesis.
Authors: Kotha Sambasivarao , Shah Vrajesh R.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: A New Strategy for the Synthesis of 1,4‐Benzodiazepine Derivatives Based on the Tandem N‐Alkylation—Ring Opening—Cyclization Reactions of Methyl 1‐Arylaziridine‐2‐carboxylates with N‐[2‐Bromomethyl(phenyl)]trifluoroacetamides.
Authors: Wang Jin‐Yuan , Guo Xue‐Fei , Wang De‐Xiang , Huang Zhi‐Tang , Wang Mei‐Xiang
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Dichlorodimethylhydantoin—KF as an Efficient Reagent for One‐Pot Synthesis of Dialkylfluorophosphates from Dialkylphosphites.
Authors: Gupta A. K. , Acharya J. , Dubey D. K. , Kaushik M. P.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Synthesis of Diethyl 2‐Thioxo‐1,2,3,4‐tetrahydro‐ and Hexahydropyrimidine‐5‐phosphonates.
Authors: Fesenko Anastasia A. , Cheshkov Dmitrii A. , Shutalev Anatoly D.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Asymmetric Selenocyclization with the Use of Dialkyl Monoterpene Diselenides.
Authors: Rafinski Zbigniew , Scianowski Jacek , Wojtczak Andrzej
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Reactions of Glycosan‐Anellated Oxolactams.
Authors: Thiering Swantje , Thiem Joachim , Kopf Juergen
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: The Gas‐Phase Ozonolysis of Unsaturated Volatile Organic Compounds in the Troposphere
Authors: Johnson David , Marston George
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Novel Small Molecules for Organic Field‐Effect Transistors: Towards Processability and High Performance
Authors: Mas‐Torrent Marta , Rovira Concepcio
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Self‐Assembling Systems Based on Porphyrins
Authors: Mamardashvili G. M. , Mamardashvili N. Zh. , Koifman O. I.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: The Use of Isotopes in the Study of Reactions of Acyl, Phosphoryl, and Sulfuryl Esters
Authors: Hoff Richard H. , Hengge Alvan C.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Nanocomposite Materials from Functional Polymers and Magnetic Colloids
Authors: Pyun Jeffrey
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Yatakemycin: Total Synthesis, DNA Alkylation, and Biological Properties
Authors: Tichenor Mark S. , Boger Dale L.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Thiol Cofactors for Selenoenzymes and Their Synthetic Mimics.
Authors: Sarma Bani Kanta , Mugesh Govindasamy
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Material Applications for Salen Frameworks.
Authors: Wezenberg Sander J. , Kleij Arjan W.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Waste Plastic Pyrolysis in Free‐Fall Reactors
Authors: Bilgesu Ali Y. , Kocak M. Cetin , Karaduman Ali
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Ab Initio Calculations of NMR Chemical Shifts
Authors: Casabianca Leah B. , de Dios Angel C.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Solid State NMR Spectroscopy
Authors: Davidson G.
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Stereochemical Studies on Nucleation, Growth and Reactivity of Organic Crystals
Authors: Lahav Meir , Weissbuch Isabelle , Leiserowitz Leslie
Published: June 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Estimating personal costs incurred by a woman participating in mammography screening in the National Breast and Cervical Cancer Early Detection Program
Authors: Ekwueme Donatus U. , Hall Ingrid J. , Richardson Lisa C. , Gardner James G. , Royalty Janet , Thompson Trevor D.
Published: June 2008

BACKGROUND.

The National Breast and Cervical Cancer Early Detection Program (NBCCEDP) covers the direct clinical costs of breast and cervical cancer screening and diagnostic follow‐up for medically underserved, low‐income women. Personal costs are not covered. In this report, the authors estimated personal costs per woman participating in NBCCEDP mammography screening by race/ethnicity and also estimated lifetime personal costs (ages 50‐74 years).

METHODS.

A decision analysis model was constructed and parameterized by using empiric data from a retrospective cohort survey of mammography rescreening among women ages 50 years to 64 years who participated in the NBCCEDP. Data from 1870 women were collected from 1999 to 2000. The model simulated the flow of resources incurred by a woman participating in the NBCCEDP. The analysis was stratified by annual income into 2 scenarios: Scenario 1, <$10,000; and Scenario 2, from $10,000 to <$20,000. Sensitivity analyses were conducted to appraise uncertainty, and all costs were standardized to 2000 U.S. dollars.

RESULTS.

In Scenario 1, for all races/ethnicities, a woman incurred a 1‐time cost of $17 and a discounted lifetime cost of $108 for 10 screens and $262 for 25 screens; in Scenario 2, these amounts were $31 and from $197 to $475, respectively. In both scenarios, a non‐Hispanic white woman incurred the highest cost. The sensitivity analyses revealed that >70% of cost incurred was attributable to opportunity cost.

CONCLUSIONS.

Capturing and quantifying personal costs will help ascertain the total cost (ie, societal cost) of providing mammography screening to a medically underserved, low‐income woman participating in a publicly funded cancer screening program and, thus, will help determine the true cost‐effectiveness of such programs. Cancer 2008. Published 2008 by the American Cancer Society.
A Critical Review of the Electrocatalysis Reported at C60 Modified Electrodes
Authors: Griese Sebastian , Kampouris Dimitrios K. , Kadara Rashid O. , Banks Craig E.
Published: June 2008

Electrodes modified with C60 have been reported to be electrocatalytic for a range of analytical targets. In this review we critically overview the recent explosion of interest in C60 modified electrodes.
Optimization of Click Chemistry of Ferrocene Derivatives on Acetylene‐Functionalized Silicon(100) Surfaces
Authors: Ciampi Simone , Le Saux Guillaume , Harper Jason B. , Gooding J. Justin
Published: June 2008

The optimization of the reaction conditions for copper‐catalyzed azide‐alkyne ‘click’ cyclo‐addition reactions used to covalently confine substituted ferrocene derivatives on passivated silicon(100) surfaces is reported. Variations in the observed reaction yields and the extent of surface contamination as a function of the source of the copper catalyst and the solvent system used in the ‘click’ procedure were evaluated spectroscopically. The electronic communication between the ferrocene centre and the underlying semiconductor surface was investigated by means of cyclic voltammetry and found to be consistent with that expected for a well‐behaved and robust redox interface.
Steady‐state modeling for membrane separation of pretreated soaking effluent under cross flow mode
Authors: Das Chandan , Dasgupta Sunando , De Sirshendu
Published: June 2008

A two‐step membrane separation process, namely, nanofiltration (NF), followed by reverse osmosis (RO), is proposed to treat the soaking effluent collected from a tannery. Solution diffusion and osmotic pressure model are combined to predict the steady‐state permeate flux and permeate concentration for continuous, cross flow membrane separation operations. Three flow regimes, namely, laminar, laminar with promoters, and turbulent flow are considered. The extent of polarization on the membrane surface is quantified. For both NF and RO, the extent of polarization increases with increasing transmembrane pressure and decreases with cross flow rate. The model parameters are optimized by comparing the calculated results with the experimental data. © 2008 American Institute of Chemical Engineers Environ Prog, 2008
Doppler compensation for OFDM transmission by sectorised antenna reception
Authors: Klenner Peter , Kammeyer Karl‐Dirk
Published: June 2008

Rapidly time‐varying channels are a major obstacle for successful data transmission via OFDM. The resulting loss of orthogonality among neighbouring subcarriers leads to intercarrier interference (ICI). Hence, coherent receivers suffer from the impediment of both channel estimation (CE) and subsequent data detection, whereas noncoherent receivers are suffering from reduced correlation between adjacent symbols. Literature contains numerous approaches to cope with this problem working either in time or frequency domain. Our concern in this paper is a novel time‐domain method which relies on the use of multiple directional receive antennas. Each of these antennas experiences only a fraction of the total Doppler spread of a comparable omnidirectional antenna. We will demonstrate that our scheme copes well with large maximum Doppler frequencies. Copyright © 2008 John Wiley & Sons, Ltd.
When do central banks prefer to intervene secretly?
Authors: Ferré Montserrat , Manzano Carolina
Published: June 2008

Central banks often intervene secretly in the foreign exchange market. This secrecy seems to be at odds with the signalling channel. In this article we will analyse when a central bank intervening in the foreign exchange rate market purely through the signalling channel would prefer to act secretly or publicly. By using a microstructure model, we will show that the consistency of the intervention with fundamentals, the volume of noise trading, the weight given to the effectiveness of intervention and the degree of superior information held by the central bank will influence the decision to intervene secretly or publicly. Copyright © 2008 John Wiley & Sons, Ltd.
Evaluation of ion release, cytotoxicity, and platelet adhesion of electrochemical anodized 316 L stainless steel cardiovascular stents
Authors: Díaz M. , Sevilla P. , Galán A. M. , Escolar G. , Engel E. , Gil F. J.
Published: June 2008

316L Stainless steel is one of the most used metallic material in orthopedical prosthesis, osteosinthesis plates, and cardiovascular stents. One of the main problems this material presents is the nickel and chromium release, specially the Ni ion release that provokes allergy in a high number of patients. Recently, experimental applications in vitro and in vivo seem to indicate that the thickness of the nature oxide of the stainless steel results in very strong reinforcement of the biological response and reduce the ion release due to the thicker surface oxide. It is possible to grow the natural chromium oxide layer by electrolytic method such anodization. In this study, two main anodization methods to grow chromium oxide on the 316L stainless steel have been evaluated. Nickel and Chromium ions release in human blood at 37°C were detected at times of 1, 6, 11, and 15 days by means of atomic absorption in a graphite furnace (GAAF). Moreover, cytocompatibility tests were carried out. Perfusion experiments were performed to evaluate morphometrically platelet interaction with the material and to explore the potential thrombogenicity. The results showed a good cytocompatibility between the material and the osteoblast‐like cells. However, these anodization methods released between 2 and 10 times more nickel and chromium than the original stainless steel, depending on the method used. Besides, anodized samples shown an increase of the percentage of surface covered by platelets. Consequently, the anodization methods studied do not improve the long‐term behavior of the stainless steel for its application as cardiovascular stents. © 2008 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2008
Riboflavin prevents inhibitory effects during the reductive decolorisation of Reactive Orange 14 by methanogenic sludge
Authors: Cervantes Francisco J , López‐Vizcarra María Isabel , Siqueiros Eliane , Razo‐Flores Elías
Published: June 2008

BACKGROUND: High‐rate anaerobic reactors represent suitable technologies to achieve efficient decolorisation of azo dyes. However, several anaerobic bioreactors have shown poor performance or even collapsed during decolorisation of azo dyes owing to the inhibitory effects of these contaminants. In this study the inhibitory effects of the azo dye Reactive Orange 14 (RO14) on different syntrophic groups in methanogenic sludge, as well as the catalytic impact of riboflavin, were assessed in batch incubations.

RESULTS: Low rates of decolorisation of RO14 by the anaerobic sludge were observed, which decreased with increasing concentration of RO14 (up to 4.8 mmol L−1), when incubations proceeded in the absence of riboflavin. Concomitantly, the methanogenic activity of the anaerobic sludge diminished by up to 65% compared with controls not exposed to RO14. Methylotrophic methanogens were the group most affected by RO14, followed by acetoclastic methanogens, while formate‐utilising methanogens emerged as the group most tolerant to the inhibitory effects of RO14. Acidogenic micro‐organisms were also inhibited by RO14 during decolorisation assays. Addition of riboflavin as a redox mediator increased the decolorisation rate of RO14 up to 53‐fold compared with controls lacking this catalyst. However, the methanogenic activities did not vary significantly regardless of the presence or absence of riboflavin, suggesting that methanogens were not responsible for the enhanced decolorisation observed.

CONCLUSION: Redox mediators could prevent the inhibitory effects of recalcitrant azo dyes in anaerobic consortia by decreasing the time of exposure of azo‐reducing micro‐organisms to the pollutants. Copyright © 2008 Society of Chemical Industry
Effects of prochloraz and ethinylestradiol on sexual development in Rana temporaria
Authors: Brande‐Lavridsen Nanna , Christensen‐Dalsgaard Jakob , Korsgaard Bodil
Published: June 2008

A wide range of environmental xenobiotics that mimic hormones (endocrine‐disrupting chemicals) may cause alterations in sexual development or reproductive function in aquatic organisms such as amphibians when exposed during early sensitive stages. We exposed tadpoles of the Common frog, Rana temporaria, from hatch to metamorphosis, to two different endocrine disruptors, the synthetic estrogen 17α‐ethinylestradiol and the fungicide prochloraz. The object of the study was to assess the effects of these two compounds on the sexual development of the tadpoles by investigating sex ratio, gonadal development, sex steroid concentrations and vitellogenin induction. Histology revealed that a large percentage of all groups were juvenile hermaphrodites at metamorphosis. Tadpoles exposed to 115 and 251 µg/L prochloraz showed a significant increased proportion of males. However, the testosterone concentrations were depressed in those groups. Ethinylestradiol in concentrations of 77 and 159 ng/L EE2 increased whole‐body calcium levels in a dose‐dependent manner indicating induction of the egg yolk protein vitellogenin, verified also by gel electrophoresis. The study shows that ethinylestradiol may induce vitellogenesis and prochloraz may affect the sexual development in Common frogs. J. Exp. Zool. 309A:389–398, 2008. © 2008 Wiley‐Liss, Inc.
Topological torsion related to some recursive sequences of integers
Authors: Barbieri Giuseppina , Dikranjan Dikran , Milan Chiara , Weber Hans
Published: June 2008

For a recursively defined sequence u : = (un) of integers, we describe the subgroup tu (𝕋) of the elements x of the circle group 𝕋 satisfying limn unx = 0. More attention is dedicated to the sequences satisfying a secondorder recurrence relation. In this case, we show that the size and the free‐rank of tu (𝕋) is determined by the asymptotic behaviour of the ratios qn = (un /un –1) and we extend previous results of G. Larcher, C. Kraaikamp, and P. Liardet obtained from continued fraction expansion. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
On the powers of 3/2 and other rational numbers
Authors: Dubickas Artūras
Published: June 2008

Letp > q > 1 be two coprime integers. In this paper, we prove several results about subsets of the interval [0, 1) which does or does not contain all the fractional parts {ξ (p /q)n }, n = 0, 1, 2, …, for certain non‐zero real number ξ. We show, for instance, that there are no real ξ for which the union of two intervals [8/39, 18/39] ∪ [21/39, 31/39] contains the set {ξ (3/2)n }, n ∈ N. The most important aspect of this result is that the total length of both intervals 20/39 is greater than 1/2: the same result as above for [0, 1/2) would imply that there are no Mahler's Z ‐numbers which the best known unsolved problem in this area. On the other hand, it is shown that there are infinitely many ξ for which {ξ (3/2)n } ∈ (5/48, 43/48) for each integer n ≥ 0. We also give simpler proofs of few recent results in this area. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Molecular mechanism of substrate specificity in the bacterial neutral amino acid transporter LeuT
Authors: Noskov Sergei Y.
Published: June 2008

The recently published X‐ray structure of LeuT, a Na+/Cl−‐dependent neurotransmitter transporter, has provided fresh impetus to efforts directed at understanding the molecular principles governing specific neurotransmitter transport. The combination of the LeuT crystal structure with the results of molecular simulations enables the functional data on specific binding and transport to be related to molecular structure. All‐atom FEP and molecular dynamics (MD) simulations of LeuT embedded in an explicit membrane were performed alongside a decomposition analysis to dissect the molecular determinants of the substrate specificity of LeuT. It was found that the ligand must be in a zwitterionic (ZW) form to bind tightly to the transporter. The theoretical results on the absolute binding‐free energies for leucine, alanine, and glycine show that alanine can be a potent substrate for LeuT, although leucine is preferred, which is consistent with the recent experimental data (Singh et al., Nature 2007;448:952–956). Furthermore, LeuT displays robust specificity for leucine over glycine. Interestingly, the ability of LeuT to discriminate between substrates relies on the dynamics of residues that form its binding pocket (e.g., F253 and Q250) and the charged side chains (R30‐D404) from a second coordination shell. The water‐mediated R30‐D404 salt bridge is thought to be part of the extracellular (EC) gate of LeuT. The introduction of a polar ligand such as glycine to the water‐depleted binding pocket of LeuT gives rise to structural rearrangements of the R30‐D404‐Q250 hydrogen‐bonding network and leads to increased hydration of the binding pocket. Conformational changes associated with the broken hydrogen bond between Q250 and R30 are shown to be important for tight and selective ligand binding to LeuT. Proteins 2008. © 2008 Wiley‐Liss, Inc.
Structure‐based approach to pharmacophore identification, in silico screening, and three‐dimensional quantitative structure–activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function
Authors: Schormann N. , Senkovich O. , Walker K. , Wright D.L. , Anderson A.C. , Rosowsky A. , Ananthan S. , Shinkre B. , Velu S. , Chattopadhyay D.
Published: June 2008

We have employed a structure‐based three‐dimensional quantitative structure–activity relationship (3D‐QSAR) approach to predict the biochemical activity for inhibitors of T. cruzi dihydrofolate reductase‐thymidylate synthase (DHFR‐TS). Crystal structures of complexes of the enzyme with eight different inhibitors of the DHFR activity together with the structure in the substrate‐free state (DHFR domain) were used to validate and refine docking poses of ligands that constitute likely active conformations. Structural information from these complexes formed the basis for the structure‐based alignment used as input for the QSAR study. Contrary to indirect ligand‐based approaches the strategy described here employs a direct receptor‐based approach. The goal is to generate a library of selective lead inhibitors for further development as antiparasitic agents. 3D‐QSAR models were obtained for T. cruzi DHFR‐TS (30 inhibitors in learning set) and human DHFR (36 inhibitors in learning set) that show a very good agreement between experimental and predicted enzyme inhibition data. For crossvalidation of the QSAR model(s), we have used the 10% leave‐one‐out method. The derived 3D‐QSAR models were tested against a few selected compounds (a small test set of six inhibitors for each enzyme) with known activity, which were not part of the learning set, and the quality of prediction of the initial 3D‐QSAR models demonstrated that such studies are feasible. Further refinement of the models through integration of additional activity data and optimization of reliable docking poses is expected to lead to an improved predictive ability. Proteins 2008. © 2008 Wiley‐Liss, Inc.
Mapping α‐helical induced folding within the intrinsically disordered C‐terminal domain of the measles virus nucleoprotein by site‐directed spin‐labeling EPR spectroscopy
Authors: Belle Valérie , Rouger Sabrina , Costanzo Stéphanie , Liquière Elodie , Strancar Janez , Guigliarelli Bruno , Fournel André , Longhi Sonia
Published: June 2008

Using site‐directed spin‐labeling EPR spectroscopy, we mapped the region of the intrinsically disordered C‐terminal domain of measles virus nucleoprotein (NTAIL) that undergoes induced folding. In addition to four spin‐labeled NTAIL variants (S407C, S488C, L496C, and V517C) (Morin et al. (2006), J Phys Chem 110: 20596‐20608), 10 new single‐site cysteine variants were designed, purified from E. coli, and spin‐labeled. These 14 spin‐labeled variants enabled us to map in detail the gain of rigidity of NTAIL in the presence of either the secondary structure stabilizer 2,2,2‐trifluoroethanol or the C‐terminal domain X (XD) of the viral phosphoprotein. Different regions of NTAIL were shown to contribute to a different extent to the binding to XD, while the mobility of the spin labels grafted at positions 407 and 460 was unaffected upon addition of XD; that of the spin labels grafted within the 488–502 and the 505–522 regions was severely and moderately reduced, respectively. Furthermore, EPR experiments in the presence of 30% sucrose allowed us to precisely map to residues 488–502, the NTAIL region undergoing α‐helical folding. The mobility of the 488–502 region was found to be restrained even in the absence of the partner, a behavior that could be accounted for by the existence of a transiently populated folded state. Finally, we show that the restrained motion of the 505–522 region upon binding to XD is due to the α‐helical transition occurring within the 488–502 region and not to a direct interaction with XD. Proteins 2008. © 2008 Wiley‐Liss, Inc.