bluuebunny/crossref_metadata_2025 huggingface dataset:
Organosoluble and light‐colored fluorinated polyimides based on 2,2‐bis[4‐(4‐amino‐2‐trifluoromethylphenoxy)phenyl]propane and aromatic dianhydrides
Authors: Yang Chin‐Ping , Chen Ruei‐Shin , Chen Kuei‐Hung
Published: December 2004

A novel fluorinated diamine monomer, 2,2‐bis[4‐(4‐amino‐2‐trifluoromethylphenoxy)phenyl]propane (2), was prepared through the nucleophilic substitution reaction of 2‐chloro‐5‐nitrobenzotrifluoride with 2,2‐bis(4‐hydroxyphenyl)propane in the presence of potassium carbonate, followed by catalytic reduction with hydrazine and Pd/C. Polyimides were synthesized from diamine 2 and various aromatic dianhydrides 3a–f via thermal imidization. These polymers had inherent viscosities ranging from 0.73 to 1.29 dL/g. Polyimides 5a–f were soluble in amide polar solvents and even in less polar solvents. These films had tensile strengths of 87–100 MPa, elongations to break of 8–29%, and initial moduli of 1.7–2.2 GPa. The glass transition temperatures (Tg) of 5a–f were in the range of 222–271°C, and the 10% weight loss temperatures (T10) of them were all above 493°C. Compared with polyimides 6 series based on 2,2‐bis[4‐(4‐aminophenoxy)phenyl]propane (BAPP) and polyimides 7 based on 2,2‐Bis[4‐(4‐aminophenoxy)phenyl]hexafluoropropane (6FBAPP), the 5 series showed better solubility and lower color intensity, dielectric constant, and lower moisture absorption. Their films had cutoff wavelengths between 363 and 404 nm,b* values ranging from 8 to 62, dielectric constants of 2.68–3.16 (1 MHz), and moisture absorptions in the range of 0.04–0.35 wt %. © 2004 Wiley Periodicals, Inc. J Appl Polym Sci 95: 922–935, 2005
Biophysical properties of quadruple helices of modified human telomeric DNA
Authors: Petraccone Luigi , Erra Eva , Esposito Veronica , Randazzo Antonio , Galeone Aldo , Barone Guido , Giancola Concetta
Published: December 2004

Telomeric DNA of a variety of vertebrates including humans contains the tandem repeat d(TTAGGG)n. The guanine rich strand can fold into four‐stranded G‐quadruplex structures, which have recently become attractive for biomedical research. Indeed, the aptamers based on the quadruplex motif may prove useful as tools aimed at binding and inhibiting particular proteins, catalyzing various biochemical reactions, or even serving as pharmaceutically active agents. The incorporation of modified bases into oligonucleotides can have profound effects on their folding and may produce useful changes in physical and biological properties of the resulting DNA fragments. In this work, the adenines of the human telomeric repeat oligonucleotide d(TAGGGT) and d(AGGGT) were substituted by 2′‐deoxy–8‐(propyn‐1‐yl)adenosine (A→APr) or by 8‐bromodeoxyadenosine (A→ABr). The biophysical properties of the resulting quadruplex structures were compared with the unmodified quadruplexes. NMR and CD spectra of the studied sequences were characteristic of parallel‐stranded, tetramolecular quadruplexes. The analysis of the equilibrium melting curves reveals that the modifications stabilize the quadruplex structure. The results are useful when considering the design of novel aptameric nucleic acids with diverse molecular recognition capabilities that would not be present using native RNA/DNA sequences. © 2004 Wiley Periodicals, Inc. Biopolymers, 2005
[Aladan3]TIPP: A fluorescent δ‐opioid antagonist with high δ‐receptor binding affinity and δ selectivity
Authors: Chen Heru , Chung Nga N. , Lemieux Carole , Zelent Bogumil , Vanderkooi Jane M. , Gryczynski Ignacy , Wilkes Brian C. , Schiller Peter W.
Published: December 2004

Fluorescent analogues of the potent and highly selective δ‐opioid antagonist TIPP (HTyrTicPhePheOH) and TIP (HTyrTicPheOH) containing the exceptionally environmentally sensitive fluorescent amino acid β‐(6′‐dimethylamino‐2′‐naphthoyl)alanine (Aladan [Ald]) in place of Phe3 were synthesized. The Ald3‐ and D‐Ald3 analogues of TIPP and TIP all retained δ‐opioid antagonist properties. The most potent analogue, [Ald3]TIPP, showed a Ke value of 2.03 nM in the mouse vas deferens assay and five times higher δ vs. μ selectivity (K/K = 7930) than the TIPP parent peptide in the opioid receptor binding assays. Theoretical conformational analyses of [Ald3]TIPP and [Ald3]TIP using molecular mechanics calculations resulted in a number of low‐energy conformers, including some showing various patterns of aromatic ring stacking and others with the Ald side chain and a carbonyl group (fluorescence quencher) in close proximity. These ensembles of low‐energy conformers are in agreement with the results of steady‐state fluorescence experiments (fluorescence emission maxima and quantum yields) and fluorescence decay measurements (fluorescence lifetime components), which indicated that the fluorophore was either engaged in intramolecular hydrophobic interactions or in proximity of a fluorescence quencher (e.g., a carbonyl group). These fluorescent TIP(P) δ‐opioid antagonists represent valuable pharmacological tools for various applications, including studies on membrane interactions, binding to receptors, cellular uptake and intracellular distribution, and tissue distribution. © 2004 Wiley Periodicals, Inc. Biopolymers (Pept Sci), 2005
Child protection in the community: a community development approach
Authors: Wright Sarah
Published: December 2004

This article describes the development of a community work project which aims to address issues relating to the safety of children within their communities. The project's work is underpinned by an ecological theory of child abuse and embraces a community development approach. The approach aims to engage local communities in deﬁning issues relevant to them and in identifying strategies for addressing these issues. The project has engaged in a mixture of direct service delivery, inﬂuencing and networking activities and ‘community capacity building’ activities. As the project has developed, the remit of its work has become increasingly deﬁned by local people. Market research was undertaken to promote an understanding of the things that children and parents felt affected children's safety locally. A community conference was organized to promote awareness about the issues that were identiﬁed and to engage local policy‐makers and professionals in discussing potential solutions with community members. A youth forum has been established to enable young people to inﬂuence local decision‐making about issues that affect their safety and well‐being within the community. The community development approach is seen as being effective in helping young people to inﬂuence their environment and in reducing vulnerability through promoting self‐esteem. Copyright © 2004 John Wiley & Sons, Ltd.
Odor and (Bio)diversity: Single Enantiomers of Chiral Fragrant Substances
Authors: Abate Agnese , Brenna Elisabetta , Fuganti Claudio , Gatti Francesco G. , Serra Stefano
Published: December 2004

Our sense of smell is enantioselective. This review reports interesting examples of single stereoisomers of natural and synthetic odorants, prepared via bioorganic routes, that support this statement. This article is the summary of a talk given at the Flavours & Fragrances 2004 conference in Manchester at the MCC/UMIST, 12–14 May, 2004.
A Novel Approach to Prezizaane Sesquiterpenes
Authors: Goeke Andreas , Mertl Daniel , Brunner Gerhard
Published: December 2004

Prezizaane sesquiterpenes are an olfactorily interesting class of tricyclic natural products, which occur in some precious perfumery raw materials. These compounds are biosynthetically derived from farnesyl pyrophosphate via cyclization, but some questions regarding the stereoselectivity of this process have not yet been answered. We discuss a novel and concise access to the tricyclic framework of these sesquiterpenes, as exemplified by the synthesis of (±)‐5‐epi‐sesquithuriferone (5‐epi‐4).
The effect of glutamine supplementation on the function of neutrophils from exercised rats
Authors: Lagranha Claudia Jacques , Martins de Lima Thais , Senna Sueli Moreno , Doi Sonia Quatelli , Curi Rui , Pithon‐Curi Tania Cristina
Published: December 2004

In a recent publication, we showed the protective effect of glutamine on neutrophil apoptosis induced by acute exercise. The purpose of the present study was to examine the effect of a single bout of intensive exercise on rat neutrophil function and the possible effect of glutamine supplementation. An aqueous solution of glutamine was given by gavage (1 g per kg b.w.), 1 h before the exercise session. The exercise was carried out on a treadmill for 1 h at 85% VO2máx.. Neutrophils were obtained by intraperitoneal lavage with PBS. The following parameters were evaluated: phagocytosis capacity, production of nitric oxide and reactive oxygen metabolites, expression of iNOS, and expression of NADPH‐oxidase components (p22phox, p47phoxand gp91phox). One hour of exercise at 85% VO2max.induced no change in the phagocytosis capacity and reactive oxygen species production but decreased nitric oxide production. When rats received oral glutamine supplementation, the phagocytosis capacity was significantly increased, the decrease in nitric oxide production induced by exercise was abolished and production of reactive oxygen species was raised. Glutamine supplementation presents a significant effect on neutrophil function including changes induced by exercise. Copyright © 2004 John Wiley & Sons, Ltd.
On the Competition Between Linear and Cyclic Isomers in Second‐Row Dicarbides
Authors: Largo Antonio , Redondo Pilar , Barrientos Carmen
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Crystal Field and Magnetic Ordering in the Haldane‐Chain Compound Er2BaNiO5 as Studied by Optical Spectroscopy.
Authors: Popova M. N. , Klimin S. A. , Chukalina E. P. , Levitin R. Z. , Mill B. V. , Malkin B. Z. , Antic‐Fidancev E.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Luminescence from Tungstate Functionalized Sodalites Involving NIR States.
Authors: Lezhnina Marina , Kynast Ulrich
Published: December 2004

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Electrochemical Synthesis of LiTiO2 and LiTi2O4 in Molten LiCl.
Authors: Jiang Kai , Hu Xiaohong , Sun Huijiao , Wang Dihua , Jin Xianbo , Ren Yaoyao , Chen George Z.
Published: December 2004

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Synthesis, Crystal Structures and Properties of Three New Tetrathiomolybdates with Organic Ammonium Cations.
Authors: Srinivasan Bikshandarkoil R. , Dhuri Sunder N. , Poisot Martha , Naether Christian , Bensch Wolfgang
Published: December 2004

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Syntheses and Structures of Ln10Ni9+xIn20 (Ln: Tb, Dy) and YbNiIn2.
Authors: Zaremba Vasyl I. , Muts Ihor R. , Rodewald Ute Ch. , Hlukhyy Viktor , Poettgen Rainer
Published: December 2004

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A Novel Synthesis of syn and anti β‐Hydroxy Dithioacetals, Masked Cross‐Aldols Between Aldehydes.
Authors: Saitoh Terunobu , Jimbo Naohisa , Ichikawa Junji
Published: December 2004

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Asymmetric Transfer Hydrogenation of Aromatic Ketones by Rh(I)/Bimorpholine Complexes.
Authors: Kriis Kadri , Kanger Tonis , Lopp Margus
Published: December 2004

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Alcohols Oxidation with Hydrogen Peroxide Promoted by TPAP‐Doped Ormosils.
Authors: Campestrini Sandro , Carraro Massimo , Ciriminna Rosaria , Pagliaro Mario , Tonellato Umberto
Published: December 2004

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Tripropylammonium Fluorochromate (TriPAFC): A Convenient New Reagent for Oxidation of Organic Substrate.
Authors: Ghammamy S. , Hashemzadeh A.
Published: December 2004

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Synthesis of β‐Hydroxy Nitriles and 1,3‐Amino Alcohols from Epoxides Using Acetone Cyanohydrin as a LiCN Precursor.
Authors: Ciaccio James A. , Smrtka Michael , Maio William A. , Rucando David
Published: December 2004

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Bismuth Trichloride Catalyzed Synthesis of α‐Aminonitriles.
Authors: De Surya K. , Gibbs Richard A.
Published: December 2004

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Superacidic Activation of α,β‐Unsaturated Amides and Their Electrophilic Reactions.
Authors: Koltunov Konstantin Yu. , Walspurger Stephane , Sommer Jean
Published: December 2004

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Simple Deprotection of Acetal Type Protecting Groups under Neutral Conditions.
Authors: Miyake Hideyoshi , Tsumura Takatsugu , Sasaki Mitsuru
Published: December 2004

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Regeneration of Carbonyl Compounds from Oximes Using BTBAD under Microwave Irradiation.
Authors: Murugan R. , Reddy B. S. R.
Published: December 2004

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Regio‐ and Stereoselective Transfer of p‐Toluenesulfonamido Group from Sulfur to Carbon: Preparation of Amino Alcohol Derivatives from Allyl Alcohols.
Authors: Raghavan Sadagopan , Kumar Ch. Naveen , Tony K. A. , Reddy S. Ramakrishna , Kumar K. Ravi
Published: December 2004

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A Convenient and Highly Efficient Method for the Protection of Aldehydes Using Very Low Loading Hydrous Ruthenium(III) Trichloride as Catalyst.
Authors: Qi Jian‐Ying , Ji Jian‐Xin , Yueng Chi‐Hung , Kwong Hoi‐Lun , Chan Albert S. C.
Published: December 2004

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Tandem Enantioselective Organo‐ and Biocatalysis: A Direct Entry for the Synthesis of Enantiomerically Pure Aldols.
Authors: Edin Michaela , Baeckvall Jan‐E. , Cordova Armando
Published: December 2004

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Curtius Rearrangement and Wolff Homologation of Functionalized Peroxides.
Authors: Dussault Patrick H. , Xu Chunping
Published: December 2004

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Synthesis of Substituted Cyclopentenes from the Baylis—Hillman Adducts via Ring‐Closing Metathesis Reaction.
Authors: Lee Ka Young , Na Jeong Eun , Lee Jin Yong , Kim Jae Nyoung
Published: December 2004

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Rapid Microwave‐Assisted Synthesis of Phenyl Ethers under Mildly Basic and Nonaqueous Conditions.
Authors: Sarju Julien , Danks Timothy N. , Wagner Gabriele
Published: December 2004

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Rhodium‐Catalyzed Addition of Alcohols to Terminal Enones.
Authors: Farnworth Marc V. , Cross Michael J. , Louie Janis
Published: December 2004

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Uncatalyzed Coupling of an Activated Aryl Chloride with Aryllithium and Aryl Grignard Reagents.
Authors: Astley Demet , Saygi Hava , Gezer Sibel , Astley Stephen T.
Published: December 2004

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Synthesis and Reactivity of Enantiomerically Pure N‐Alkyl‐2‐alkenyl Azetidinium Salts.
Authors: Couty Francois , Durrat Francois , Evano Gwilherm , Prim Damien
Published: December 2004

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Synthesis and Hypoglycemic Activities of 3‐(Phthalimidomethyl)‐4‐substituted‐cinnamoyl Salicylanilides.
Authors: Sahu S. K. , Mishra S. K. , Mahapatra S. P. , Bhatta D. , Panda C. S.
Published: December 2004

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Nucleophilic Trifluoromethylation of Cyclic Imides Using (Trifluoromethyl)trimethylsilane CF3SiMe3.
Authors: Hoffmann‐Roeder Anja , Seiler Paul , Diederich Francois
Published: December 2004

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Studies on Novel Synthetic Methodologies. Part 51. Hypervalent Iodine‐Mediated Interaction of Aldoximes with Activated Alkenes Including Baylis—Hillman Adducts: A New and Efficient Method for the Preparation of Nitrile Oxides from Aldoximes.
Authors: Das Biswanath , Holla Harish , Mahender Gurram , Banerjee Joydeep , Reddy Majjigapu Ravinder
Published: December 2004

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3‐(Difluoro‐λ3‐iodanyl)‐4‐methylfurazan: The First Representative of (Difluoro‐λ3‐iodanyl)azoles
Authors: Sheremetev A. B. , Dmitriev D. E. , Konkina S. M.
Published: December 2004

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Synthesis, Characterization and Biological Activities of Substituted Oxadiazole, Triazole, Thiadiazole and 4‐Thiazolidinone Derivatives.
Authors: Amir Mohd , Khan M. S. Y. , Zaman M. S.
Published: December 2004

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Synthesis and Evaluation of 4‐(1‐Aminoalkyl)‐N‐(4‐pyridyl)cyclohexanecarboxamides as Rho Kinase Inhibitors and Neurite Outgrowth Promoters.
Authors: Gingras Karine , Avedissian Hovsep , Thouin Eryk , Boulanger Veronique , Essagian Charles , McKerracher Lisa , Lubell William D.
Published: December 2004

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Reactions of Isoquinoline Derivatives with Pyridinium Salts Yielding 4‐Naphthylpyridines.
Authors: Gromov S. P. , Fomina M. V.
Published: December 2004

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Synthesis and Evaluation of 2‐Amino‐8‐alkoxy Quinolines as MCHr1 Antagonists. Part 2.
Authors: Vasudevan Anil , et al. et al.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Regioisomerism in the Ritter Reaction. Part 1. Synthesis of 3,3,5,6,7‐, 3,3,6,7,8‐, 3,3,5,7,8‐, and 3,3,5,6,8‐Pentamethyl‐3,4‐dihydroisoquinolines from 1,2,3‐ and 1,2,4‐Trimethylbenzenes.
Authors: Shklyaev Yu. V. , Ismagilov R. R. , Rozhkova Yu. S. , Fatykhov A. A. , Abdrakhmanov I. B. , Tolstikov A. G.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Novel Pyrazinone Inhibitors of Mast Cell Tryptase: Synthesis and SAR Evaluation.
Authors: Hopkins Corey R. , et al. et al.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
A Versatile Approach for the Synthesis of 1‐Methyl‐4H[1,2,4]triazolo[4,3‐a][1,4]benzodiazepine N5‐Oxide.
Authors: Gupta Anjul , Sirohi Reenu , Shastri Sudha , Kishore D.
Published: December 2004

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A Novel Approach for the Synthesis of 5‐Methoxycarbonyl‐1,3‐dihydro‐2H‐1,4‐benzodiazepin‐2‐one‐N 4‐oxides from N‐Chloroacetylisatins.
Authors: Sirohi Reenu , Singh Anjul , Shastri Sudha , Kishore D.
Published: December 2004

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Pyrrolo[2,1‐c][1,4]benzodiazepine—Anthraquinone Conjugates. Synthesis, DNA Binding and Cytotoxicity.
Authors: Kamal Ahmed , Ramu R. , Khanna G. B. Ramesh , Saxena Ajit Kumar , Shanmugavel M. , Pandita Renu Moti
Published: December 2004

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Azomethine Ylides Derived from Dichlorocarbene and O‐Acylsalicylaldehyde Anils in the Synthesis of 2,5‐Epoxy‐2,3,4,5‐tetrahydro‐1,4‐benzoxazepin‐2‐ones and 2‐Aminoethanols.
Authors: Voznyi I. V. , Novikov M. S. , Khlebnikov A. F. , Kostikov R. R.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Two New Cucurbitacin Glucosides, Opercurins A (I) and B (II), from the Brazilian Folk Medicine “Buchinha” (Luffa operculata)
Authors: Kawahara Nobuo , Kurata Atsuyo , Hakamatsuka Takashi , Sekita Setsuko , Satake Motoyoshi
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Estrone Formate: A Novel Type of Irreversible Inhibitor of Human Steroid Sulfatase.
Authors: Schreiner Erwin P. , Billich Andreas
Published: December 2004

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Selective Synthesis of Dehydroamino Acids from Threonines.
Authors: Nakamura Kazuhiko , Isaka Tetsuya , Toshima Hiroaki , Kodaka Masato
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Isolation, Crystal and Solution Structure Determination, and Biosynthesis of Tubulysins — Powerful Inhibitors of Tubulin Polymerization from Myxobacteria
Authors: Steinmetz Heinrich , Glaser Nicole , Herdtweck Eberhardt , Sasse Florenz , Reichenbach Hans , Hoefle Gerhard
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Synthesis of 3‐Tetra‐O‐benzoyl‐β‐D‐glucopyranosylimino‐4‐phenyl‐5‐arylimino‐1,2, 4‐dithiazolidines.
Authors: Dhonde M. G. , Deshmukh S. P.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Total Synthesis of (.+‐.)‐Manzacidin D
Authors: Drouin Christian , Woo Jacqueline C. S. , MacKay D. Bruce , Lavigne Roch M. A.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Concise Asymmetric Synthesis of (‐)‐Sparteine.
Authors: Hermet Jean‐Paul R. , McGrath Matthew J. , O'Brien Peter , Porter David W. , Gilday John
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Asymmetric Synthesis of the Stereoisomers of 11,12,15(S)‐Trihydroxyeicosa‐5(Z),8(Z),13(E)‐trienoic Acid, a Potent Endothelium‐Derived Vasodilator.
Authors: Falck J. R. , Barma Deb K. , Mohapatra Suchismita , Bandyopadhyay A. , Reddy Komandla Malla , Qi Jianjun , Campbell William B.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Three 5H‐Indeno[1,2‐c]pyridazin‐5‐one Derivatives, Potent Type‐B Monoamine Oxidase Inhibitors.
Authors: Frederick Raphael , Norberg Bernadette , Durant Francois , Ooms Frederic , Wouters Johan
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Synthesis and Evaluation of 2‐Amino‐8‐alkoxy Quinolines as MCHr1 Antagonists. Part 3.
Authors: Souers Andrew J. , et al. et al.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Beyond Classical Application of Powder Diffraction.
Authors: Evans John S. O. , Radosavljevic Evans Ivana
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Chemical Behavior of Dubnium in HF
Authors: Tsukada K. , Haba H. , Asai M. , Toyoshima A. , Akiyama K. , Nishinaka I. , Hashimoto K. , Ichikawa S. , Nagame Y. , Yasuda K. , et al. et al.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Magnetic Interactions in Transition‐Metal Oxides
Authors: Solovyev I. V.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Pure and Mixed Magnetic Clusters Assembled Nanostructures
Authors: Dupuis V. , Jamet M. , Tuaillon‐Combes J. , Favre L. , Stanescu S. , Treilleux M. , Bernstein E. , Melinon P. , Perez A.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Syntheses of Tetrodotoxin
Authors: Koert Ulrich
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Stable Singlet Carbenes
Authors: Bertrand Guy
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Organic Radical Ions
Authors: Roth Heinz D.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Radicals
Authors: Newcomb Martin
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Carbocations
Authors: McClelland Robert A.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Conformational Analysis of Calixarene Derivatives Substituted at the Methylene Bridges
Authors: Simaan Samah , Biali Silvio E.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Unique Asymmetric Catalysis of cis‐β Metal Complexes of Salen and Its Related Schiff‐Base Ligands
Authors: Katsuki Tsutomu
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Recommended Vapor—Liquid Equilibrium Data. Part 3. Binary Alkanol—Aromatic Hydrocarbon Systems
Authors: Goral Marian , Skrzecz Adam , Bok Andrzej , Maczynski Andrzej , Oracz Pawel
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Periodic Perturbation of the Kinetics of Heterogeneous Catalytic Reactions
Authors: Zhdanov Vladimir P.
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Sulfatases: Structure, Mechanism, Biological Activity, Inhibition, and Synthetic Utility
Authors: Hanson Sarah R. , Best Michael D. , Wong Chi‐Huey
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Oxidant Types in Copper—Dioxygen Chemistry: The Ligand Coordination Defines the Cun‐O2 Structure and Subsequent Reactivity
Authors: Hatcher Lanying Q. , Karlin Kenneth D.
Published: December 2004

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The Structural Chemistry of Phenols
Authors: Kaftory Menahem
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
NMR Quantum Information Processing
Authors: Ramanathan Chandrasekhar , Boulant Nicolas , Chen Zhiying , Cory David G. , Chuang Isaac , Steffen Matthias
Published: December 2004

For Abstract see ChemInform Abstract in Full Text.
Brennstoffzellen—moderne elektrochemische Stromquellen
Authors: Euler Karl Joachim
Published: December 2004

Auch Automobile haben so etwas wie einen Stoffwechsel. Ihre Ausscheidungsprodukte riechen nicht besonders gut, und zum Teil sind sie auch giftig. Die Kohlenmonoxid‐Konzentration der Großstadtluft an belebten Plätzen und zur Hauptverkehrszeit erreicht bereits heute beachtliche Werte. Damit man nicht eines Tages mit der Gasmaske durch unsere Straßen wird gehen müssen, sucht man allenthalben nach Wegen, Fahrzeuge ohne derart störende Begleiterscheinungen zu bauen; so entwickelt z. B. die Automobilindustrie Vorrichtungen zur Abgasentgiftung. Ein anderer Versuch ist die Rückkehr zum fast ausgestorbenen Elektro‐Auto mit neuen, leistungsfähigen Stromquellen: Brennstoffzellen. Wie sie funktionieren und wozu man sie sonst noch brauchen kann, schildert dieser Bericht. (Photo Müller/Sz‐Archiv)
Physikalische Methoden in der Chemie: Massenspektrometrie II
Authors: Lehmann Wolf Dieter , Schulten Hans‐Rolf
Published: December 2004

Die Felddesorptions‐Methode erweitert den Bereich der anorganischen und organischen Verbindungen, die der massenspektrometrischen Analyse zugänglich sind, weil ein Verdampfungsprozeß der Probe entfällt und der schonende Ionisierungsprozeß relativ stabile Ionen erzeugt. Diese Erweiterung erstreckt sich sowohl auf Verbindungen geringer oder extrem geringer Flüchtigkeit (Salze) als auch auf Verbindungen mit hohem Molekulargewicht (> 1000). Die Methode wird aussichtsreich bei analytischen Problemen angewendet, bei denen andere massenspektrometrische Techniken versagen und bei denen nur Probenmengen zwischen 10−6 und 10−9g zur Verfügung stehen.
Das Portrait: Franz Ritter von Kobell (1803–1882)
Authors: Krätz Otto
Published: December 2004

Franz von Kobell 1857, im 54. Lebensjahr, mit Manuskriptblatt und Lodenjoppe. Diese Portraitaufnahme wurde ebenso wie die Poccis und Steinheils (Seite 157) von Franz Hanfstaengl angefertigt. Die Photos sind dem „Album der Zeitgenossen, Photos von 1853 bis 1863”︁ (hrsg. von Ch. Diener und G. Fulton‐Smith) entnommen.
Metallcluster. Studienobjekte der Metallbildung
Authors: Schmid Günter
Published: December 2004

Etwa drei Viertel aller Elemente sind Metalle. Sie begegnen uns einerseits in einer fast unübersehbaren Fülle von Komplexen, in denen sie geladen oder neutral, aber überwiegend einzeln von einer geeigneten Ligandhülle umgeben vorliegen. Auf der anderen Seite kennen wir recht gut den metallischen Zustand, also jene Ansammlung von praktisch unendlich vielen Metallatomen, die im Zusammenwirken die sogenannten metallischen Eigenschaften, wie die elektrische und die Wärmeleitfähigkeit, das magnetische Verhalten, die Duktilität u.a., erzeugen. Was aber liegt dazwischen?

Gibt es einen kontinuierlichen Übergang vom einfachen ein‐ oder zweikernigen Komplex zum kompakten Metall? Die ersten Schritte auf dem Weg zur Klärung dieser Frage sind gemacht! Man kennt heute vielkernige, aber noch molekulare Komplexe, die über 500 Metallatome enthalten. Wo fängt der metallische Zustand an? Wie viele Atome sind notwendig, um metallische Eigenschaften zu erzeugen? Niemand kann diese fundamentalen Fragen zur Zeit zuverlässig beantworten. Sicher wird das, was wir metallischen Zustand nennen, nicht plötzlich bei Erreichen einer bestimmten Zahl von Metallatomen auftauchen. Vielmehr wird sich diese Eigenschaft allmählich und temperaturabhängig einstellen. Trotzdem bleibt die faszinierende Frage nach der ungefähren Zahl von Atomen, die zur Erzeugung der kleinsten Metallpartikel nötig ist.

Ansammlungen von einigen wenigen bis zu hunderten von Atomen bezeichnet man als Cluster, wobei es an Bemühungen, diese recht pauschale Definition zu verfeinern, nicht gefehlt hat [1]. Irgendwann sprechen wir dann von Mikrokristalliten, wenn die Partikel ohne großen Aufwand sichtbar gemacht werden können, z. B. in einem guten Lichtmikroskop oder mit Hilfe eines einfachen Elektronenmikroskops. In diesen Bereich gehören z. B. auch die Metallkolloide. Physiker und Chemiker haben sich in den vergangenen 20 Jahren viele Methoden einfallen lassen, um Metallcluster zu erzeugen. Dabei unterscheidet man zwischen den sogenannten „nackten”︁, d. h. ligandfreien Clustern und Clustern, die durch eine Ligandhülle geschützt sind (chemisch stabilisierte Cluster). Nackte und ligandstabilisierte Metallcluster werden jedoch nicht nur untersucht, um die für den metallischen Zustand erforderliche Zahl von Atomen zu ermitteln, sondern auch aus vielen anderen Gründen. So liefert das Studium der Clusterstrukturen Einblick in den Entstehungsprozeß von Metallkristalliten, von Metallclustern erhofft man sich neuartige Materialeigenschaften, der Chemiker erwartet Aufschlüsse über elementare Vorgänge bei der homogenen und heterogenen Katalyse. Gründe genug also, um sich weltweit mit dem Phänomen der Clusterbildung zu beschäftigen.
Hochaufgelöste Kernresonanz‐Spektroskopie von Festkörpern. CP‐MAS‐NMR‐Spektroskopie
Authors: Wrackmeyer Bernd
Published: December 2004

Die Kernresonanz‐Spektroskopie (Nuclear Magnetic Resonance = NMR)

Vgl. diese Zeitschr. 1, 77, 116 (1967); 8, 44, 84 (1974); 16, 1, 35 (1982).

zählt aus folgenden Gründen zu den wichtigsten analytischen Methoden der modernen Chemie:

Sie ist in einem weiten Temperaturbereich (von ca. −190 bis + 300°C) anwendbar;

das zu untersuchende Material wird bei der Messung nicht zerstört;

sie liefert eine Fülle von chemisch und physikalisch relevanten Informationen;

sie läßt sich nicht nur in fast allen Bereichen der Grundlagenforschung der Naturwissenschaften anwenden, sondern es gibt auch zahlreiche industrielle Einsatzgebiete (z. B. Produktkontrolle); immer häufiger werden medizinische Fragestellungen (z. B. Tomographie, Krebsforschung) bearbeitet.

Der Siegeszug der NMR‐Spektroskopie begann mit der Herstellung kommerzieller NMR‐Geräte in den fünfziger Jahren nach den ersten erfolgreichen NMR‐Experimenten 1945/46.

Vgl. diese Zeitschr. 20, 173 (1986).

Einige vereinfachte Grundlagen der NMR‐Experimente [1] sind in den Abbildungen 1 bis 4 dargestellt. Traditionell haben Chemiker bisher vor allem Flüssigkeiten oder gelöste Substanzen NMR‐spektroskopisch untersucht. Der Grund ist einfach: Die beiden im flüssigen Zustand leicht zugänglichen NMR‐Parameter „chemische Verschiebung”︁ δ und „Kopplungskonstante”︁ nJ(A−B) (n = Anzahl der Bindungen zwischen den Kernen A und B) lassen sich oft bequem und direkt in chemische Information umsetzen (Abbildung 5).
Die Alchemie im lateinischen Mittelalter. Ein Überblick
Authors: Weyer Jost
Published: December 2004

Alchemie und Mittelalter – beides kommt dem Menschen von heute unendlich weit entfernt vor und ist doch in vielen Fällen näher, als er meint. So sind aus dem Mittelalter noch zahlreiche Bauwerke – Kirchen, Burganlagen und Bürgerhäuser – erhalten oder Institutionen wie die Klöster und die Universitäten. Weniger bekannt ist, daß auch von der Alchemie noch vieles in der heutigen Chemie wiederzufinden ist. Der Chemiker unserer Tage wird es nicht gern hören, wenn eine Verbindungslinie von der mittelalterlichen Alchemie zur modernen Chemie gezogen wird. Er braucht sich aber nicht zu schämen, daß zu seinen geistigen Vorfahren auch die Alchemisten gehören, denn es gab neben der Goldmacherei zu Betrugszwecken durchaus auch eine ernstzunehmende Alchemie. Dieser Alchemie verdankt die heutige Chemie vieles, ohne daß es dem Chemiker noch bewußt ist. Die folgende Aufzählung soll diese These belegen.
Kann man Chemische Bindungen sehen?
Authors: Boese Roland
Published: December 2004

Teils, teils, müßte die diplomatische Antwort lauten, denn die Elektronen, die an einer chemischen Bindung beteiligt sind, können nicht unmittelbar abgebildet werden. Aber es gibt eine Methode, auf indirektem Weg aus experimentellen Daten die Elektronendichte zwischen Atomen zu ermitteln. Diese Methode soll in dem folgenden Aufsatz vorgestellt werden.
Ausrichtung und Orientierung von Molekülen. Neue Methoden zur Untersuchung von Elementarreaktionen
Authors: Rubahn Horst‐Günter
Published: December 2004

Durch die Wechselwirkung mit starken elektromagnetischen Feldern können einzelne Moleküle in bezug auf einen Reaktionspartner ausgerichtet werden. Damit wird Information über den räumlichen (dreidimensionalen) Reaktionsablauf zugänglich. Im vorliegenden Beitrag geht es darum, was die Begriffe Orientierung und Ausrichtung einzelner Moleküle konkret bedeuten, wie sie zu erreichen sind und welchen Einfluß sie auf einfache Reaktionen haben.
Commitment of embryonic stem cells to an epidermal cell fate and differentiation in vitro
Authors: Troy Tammy‐Claire , Turksen Kursad
Published: December 2004

The epidermis develops from a stem cell population in the surface ectoderm that feeds a single vertical terminal differentiation pathway. To date, however, the limited capacity for the isolation or purification of epidermal stem or precursor cells has hampered studies on early commitment and differentiation events. We have developed a two‐step culture scheme in which pluripotent mouse embryonic stem (ES) cells are induced first to a surface ectoderm phenotype and then are positively selected for putative epidermal stem cells. We show that the earliest stages of epidermal development follow an ordered sequence that is similar to that observed in vivo (expression of keratin 8, keratin 19, keratin 17, and keratin 14), suggesting that ES cell‐derived surface ectoderm‐like cells can be induced to follow the epidermal developmental pathway. At a low frequency, keratin 14‐positive early epidermal cells progressed to keratin 1‐positive and terminally differentiated cells producing a cornified envelope. This culturing protocol provides an invaluable system in which to study both the mechanisms that direct stem cells along the epidermal pathway as well as those that influence their subsequent epidermal differentiation. Developmental Dynamics 232:293–300, 2005. © 2004 Wiley‐Liss, Inc.
The somite segmentation clock: It takes a licking and keeps on ticking
Authors: Kiefer Julie C.
Published: December 2004

This primer describes molecular mechanisms critical for somite segmentation clock function. In addition, two investigators of the segmentation clock, Olivier Pourquié, and Yun‐Jin Jiang, give their perspectives on current research and on the future of the field. Developmental Dynamics 232:519–523, 2005. © 2004 Wiley‐Liss, Inc.
OOPSE: An object‐oriented parallel simulation engine for molecular dynamics
Authors: Meineke Matthew A. , Vardeman Charles F. , Lin Teng , Fennell Christopher J. , Gezelter J. Daniel
Published: December 2004

OOPSE is a new molecular dynamics simulation program that is capable of efficiently integrating equations of motion for atom types with orientational degrees of freedom (e.g. “sticky” atoms and point dipoles). Transition metals can also be simulated using the embedded atom method (EAM) potential included in the code. Parallel simulations are carried out using the force‐based decomposition method. Simulations are specified using a very simple C‐based meta‐data language. A number of advanced integrators are included, and the basic integrator for orientational dynamics provides substantial improvements over older quaternion‐based schemes. © 2004 Wiley Periodicals, Inc. J Comput Chem 26: 252–271, 2005
A free energy calculation study of the effect of H→F substitution on binding affinity in ligand–antibody interactions
Authors: Saito Minoru , Okazaki Isao , Oda Masayuki , Fujii Ikuo
Published: December 2004

Changes in binding affinity to catalytic antibody 6D9 of chloramphenicol phosphonate derivatives (CPDs) containing H or F were investigated by performing free energy calculations based on molecular dynamics simulations. We calculated the binding free energy, enthalpy, and entropy changes (ΔΔG, ΔΔH, and −TΔΔS) attributable to H→F substitution by comparing results for CPDs containing a trifluoroacetylamino group (CPD‐F) or an acetylamino group (CPD‐H). The calculated ΔΔG, ΔΔH, and −TΔΔS values were −2.9, −6.3, and 3.5 kcal mol−1 and close to experimental values observed for a series of similar ligands, chloramphenicol phosphonates with F and H (−1.4, −3.5, and 2.1 kcal mol−1). Therefore, CPD‐F binds more strongly to 6D9 than does CPD‐H. To clarify the origin of the large difference in ΔΔG, we apportioned the calculated values of ΔΔG and ΔG for the associated and dissociated states into contributions from various atomic interactions. We found that the H→F substitution increased the binding affinity mainly by decreasing the hydration free energy and not by increasing favorable interactions with the antibody. The decreased hydration free energy of the ligand was mainly due to unfavorable coulombic interactions between the trifluoroacetylamino group and solvent waters, which increased the free energy of the dissociated state (by about 3.7 kcal mol−1). Also, the trifluoroacetylamino group slightly increased the free energy level of the associated state (about 0.8 kcal mol−1) because favorable van der Waals interactions compensated for unfavorable coulombic interactions with antibody atoms. In addition, the enthalpy and entropy changes, ΔΔH and −TΔΔS (computationally −6.3 and 3.5 kcal mol−1), originated mainly from a decrease in hydration free energy in the dissociated state. The CPD‐F and CPD‐H ligands had substantially different structures in the dissociated and complexed states. © 2004 Wiley Periodicals, Inc. J Comput Chem 3: 272–282, 2005
P2P‐R expression is genetically coregulated with components of the translation machinery and with PUM2, a translational repressor that associates with the P2P‐R mRNA
Authors: Scott Robert E. , White‐Grindley Erica , Ruley H. Earl , Chesler Elissa J. , Williams Robert W.
Published: December 2004

P2P‐R is a nuclear protein with potential functional roles in the control of gene expression and mitosis. The P2P‐R protein also interacts with the p53 and Rb1 tumor suppressor proteins. To search for additional functional associations of P2P‐R, we employed the WebQTL database that contains the results of cDNA microarray analysis on forebrain, cerebellum, and hematopoietic stem cell (HSC) specimens of multiple BXD recombinant inbred strains of mice. Using WebQTL, gene products were identified that show genetically based coexpression with P2P‐R. Initial studies identified general groups of mRNAs that share common functional roles and high covariation in expression with P2P‐R. These functional groups involved the regulation of transcription, nucleotide binding, translation control, and ion transport. The findings related to translational mechanisms were further evaluated. In HSCs, expression of P2P‐R mRNA demonstrates an impressive expression correlation with a group of gene products associated with translation; high expression of P2P‐R specifically was associated with decreased expression of 29 ribosomal protein mRNAs. In all three tissues that were screened using the WebQTL database, a strong positive expression covariance between P2P‐R and the Pum2 gene product also was observed. PUM2 is a member of the highly conserved Puf family of RNA binding proteins that often function as gene‐specific translation regulators. The ability of Puf proteins to repress translation is mediated by their binding to specific elements located in the 3′ untranslated region (UTR) of their target mRNAs. To assess the functional significance of the strong genetic correlation in expression of P2P‐R and PUM2, the 3′ UTR of the P2P‐R mRNA was analyzed and found to contain one perfect consensus and two near‐perfect consensus PUM2 binding sequences. PUM2 pull‐down methods combined with reverse transcription and RT‐PCR confirmed that PUM2 does indeed bind P2P‐R mRNA. These results suggest that P2P‐R expression may be translationally regulated by PUM2 and that P2P‐R may modulate translation by influencing ribosomal protein gene expression. This study represents the first description of a RNA target for mammalian Puf proteins and the first molecular confirmation of information obtained using the WebQTL database. © 2004 Wiley‐Liss, Inc.
Diabetic fibrous mastopathy: Sonographic‐pathologic correlation
Authors: Baratelli Giorgio M. , Riva Cristina
Published: December 2004

Fibrous and inflammatory lesions of the breast in patients with early‐onset, longstanding insulin‐dependent diabetes mellitus (IDDM) can lead to misdiagnosis because the clinical, mammographic, and sonographic findings simulate breast cancer. We report a case of diabetic fibrous mastopathy with suspicious clinical, imaging, and cytologic findings. © 2004 Wiley Periodicals, Inc. J Clin Ultrasound 33:34–37, 2005
Reduction of artifacts by optimization of the sensitivity map in sensitivity‐encoded spectroscopic imaging
Authors: Zhao Xiaoli , Prost Robert W. , Li Zhu , Li Shi‐Jiang
Published: December 2004

Sensitivity‐encoded spectroscopic imaging (SENSE‐SI) reduces scanning time by using multiple coils for parallel signal acquisition. Significant artifacts could be induced by SENSE‐SI, mainly due to the low‐resolution nature of spectroscopic imaging. The present study introduces a novel method to reduce the artifacts. High‐resolution sensitivity maps are used in low‐resolution SENSE reconstruction. An intermediate unaliased image is obtained after SENSE reconstruction. Based on the intermediate image, the sensitivity maps are optimized and then the SENSE reconstruction is performed again. The final unaliased image has significantly reduced artifacts. Magn Reson Med 53:30–34, 2005. © 2004 Wiley‐Liss, Inc.
Simulation of High‐Frequency Atmospheric Gas Discharges
Authors: Zander Elmar , Weimar Jörg R. , Matthies Hermann G.
Published: December 2004

The generation of atmospheric gas discharges is an important concern in many industrial applications. We are investigating here a special type of high‐frequency atmospheric gas discharge. The results of modelling the breakdown mechanism and of the development phase of the discharge will be presented. Furthermore we will show first numerical results. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Implicit subgrid‐scale modeling by adaptive local deconvolution
Authors: Hickel Stefan , Adams Nikolaus A.
Published: December 2004

A class of implicit Subgrid‐Scale (SGS) models for Large‐Eddy Simulation (LES) is obtained from a new approach for the finite‐volume discretization of hyperbolic conservation laws. The extension of a standard deconvolution operator and the choice of a suitable numerical flux function result in a truncation error which can be forced to have physical significance. As determined by a modified‐differential‐equation analysis, the free parameters of this implicit SGS model can be adjusted to approximate a known explicit SGS model. Computational results for the viscous Burgers equation show that the model with parameters identified by evolutionary optimization gives significantly better predictions than other models. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Analysis of turbulent diffusion in the temperature variance dissipation rate equation
Authors: Otić I. , Grötzbach G.
Published: December 2004

Results of a new direct numerical simulation (DNS) for the Rayleigh‐Bénard convection at Prandtl number Pr = 0.025 and Rayleigh number Ra = 100,000 are used to analyse the turbulent diffusion term in the transport equation for the temperature variance dissipation rate. These DNS results are also used to investigate the performance of statistical models for this turbulent diffusion term. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Stability of compact upwind‐biased finite‐difference schemes forfeedback‐coupled advection equations
Authors: Jocksch A. , Adams N. A. , Kleiser L.
Published: December 2004

A fifth‐order compact upwind‐biased finite‐difference scheme has been developed which is asymptotically stable when applied to linear 2 × 2 systems. This scheme was optimised with respect to wave propagation through the boundaries. In order to achieve asymptotic stability for such systems a sufficient stability condition, based on the Nyquist criterion of linear system theory, was included in the optimisation as additional constraint. The evaluation of the stability condition was done numerically. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Comparison of computational aeroacoustics with theory using the benchmark case of sound waves excited from a semi‐infinite duct
Authors: Morgenweck Daniel , Schemel Christoph , Thiele Frank
Published: December 2004

In this paper the benchmark problem of radiation from a semi infinite duct is discussed. The duct is modeled by an infinitesimal thin wall. Comparisons are made between the analytic solutions of R. M. Munt and the 2nd CAAWorkshop with our CAA‐code. In all cases a 3D axisymmetric approach is chosen to describe the propagation of a single mode. The procedure consists of two steps. Step 1 concerns a numerical simulation of the near‐field‐region. Step 2 calculates the farfield‐solution by means of the acoustic‐analogy of FfowcsWilliams and Hawkings. Since the wall is of infinitesimal thickness, the edge needs to be treated in a special way. Two different approaches are persecuted and the results are compared. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Buckling localization in a non‐elastic rotating disk
Authors: Alexandrova Nelli N. , Vila Real Paulo M. M.
Published: December 2004

Buckling localization of a rotating disk made of elastic‐perfectly plastic material is investigated using stress‐rate formulation of the stability boundary‐value problem. The phenomenon of plastic buckling localization and its analogy with elastic buckling localization is discussed. For a thin rotating disk, it is shown that buckling develops at a speed lower than one at which the disk passes to fully plastic state, or in other words, before the limit load has been attained. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Numerical bifurcation analysis of a ‘car‐following’ model
Authors: Sirito Gabriele , Gasser Ingeniun , Seidel Tilman
Published: December 2004

We study a system of ordinary differential equations describing a car‐following model for the motion of N car around a circular highway. All cars behave in the same way. The acceleration of each car is determined as a function of the headway (optimal velocity function). This model is known to have a solution with constant velocities and headways which, in a certain parameter regime, is stable and, varying the density of the cars, the loss of stability is generally due to a super‐ or subcritical Hopf bifurcation. Guided by analytical results, we numerically investigate the global bifurcation diagram for periodic solutions and obtain a complete picture of the dynamics of the model. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Computational model for adaptive fiber‐strengthened endothelial cell layers under flow induced shear‐stress
Authors: Buschmann M. H. , Schnittler H. J. , Adams N. A.
Published: December 2004

Endothelial cells, covering the inner surface of human vessels and the heart are permanently exposed to fluid shear stress which strongly affects endothelial structure and function. Due to their location at the interface between blood‐flow and the vascular wall endothelial cells play an essential role in hemodynamics. We present a complex computational model based on the Navier‐Stokes equations, Donell's shell equations, and additional constitutive systems of equations for the description of the flow around and inside of endothelial cells. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)