bluuebunny/crossref_metadata_2025 huggingface dataset:
Crystal Engineering: A Holistic View
Authors: Desiraju Gautam R.
Published: September 2007

Crystal engineering, the design of molecular solids, is the synthesis of functional solid‐state structures from neutral or ionic building blocks, using intermolecular interactions in the design strategy. Hydrogen bonds, coordination bonds, and other less directed interactions define substructural patterns, referred to in the literature as supramolecular synthons and secondary building units. Crystal engineering has considerable overlap with supramolecular chemistry, X‐ray crystallography, materials science, and solid‐state chemistry and yet it is a distinct discipline in itself. The subject goes beyond the traditional divisions of organic, inorganic, and physical chemistry, and this makes for a very eclectic blend of ideas and techniques. The purpose of this Review is to highlight some current challenges in this rapidly evolving subject. Among the topics discussed are the nature of intermolecular interactions and their role in crystal design, the sometimes diverging perceptions of the geometrical and chemical models for a molecular crystal, the relationship of these models to polymorphism, knowledge‐based computational prediction of crystal structures, and efforts at mapping the pathway of the crystallization reaction.
Novel reactive compatibilization strategy on immiscible polypropylene and polystyrene blend
Authors: Hung Chen‐Jui , Chuang Hung‐Yang , Chang Feng‐Chih
Published: September 2007

Polypropylene (PP) and polystyrene (PS) are immiscible and incompatible. Since both PP and PS components possess no reactive functional group, reactive compatibilization of a PP/PS blend is impossible unless certain reactive functional groups are imparted to either PP or PS. In this study we provide a simple approach to reactively compatibilize the nonreactive PP/PS blend system by physically functionalizing PP and PS with the addition of maleic anhydride grafted PP (PP‐g‐MA) and styrene maleic anhydride random copolymer (SMA), respectively. An epoxy monomer, serving as a coupler and possessing four epoxy groups able to react with the maleic anhydride of PP‐g‐MA and SMA, was then added during melt blending. Observations of the finer PS domain sizes and improved mechanical properties support the plausibility of reactive compatibilization of this nonreactive PP/PS blend by combining physically functionalized PP and PS with tetra‐glycidyl ether of diphenyl diamino methane (TGDDM) in a one‐step extrusion process. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2008
Effect of the ultradrawing behavior of gel films of ultrahigh‐molecular‐weight polyethylene and low‐molecular‐weight polyethylene blends on their physical properties
Authors: Yeh Jen‐Taut , Chang Sheng‐Shan , Wu Tsong‐Wei
Published: September 2007

This study examined the effect of the ultradrawing behavior of gel film specimens of ultrahigh‐molecular‐weight polyethylene (UHMWPE) and UHMWPE/low‐molecular‐weight polyethylene (LMWPE) blends on their physical properties. The concentration of a gel film approximated its critical concentration at a fixed drawing temperature; its achievable draw ratio was higher than that of other blend specimens with various concentrations. Noticeably, when about 5 wt % LMWPE was added to a UHMWPE/LMWPE gel film specimen, the achievable draw ratio of the gel film increased, and this contributed to an apparent promoting effect on its anticreeping properties and thermal stability. Therefore, when ULB−0.9 was drawn to a draw ratio of 300, the anticreeping behavior was improved to less than 0.026%/day. Moreover, with respect to the thermal stability, when the same specimen was drawn to a draw ratio of 300, the retention capability of its storage modulus could resist a high temperature of 150°C, which was obviously much higher than the temperature of an undrawn gel film specimen (70°C). To study these interesting behaviors further, this study systematically investigated the gel solution viscosities, anticreeping properties, dynamic mechanical properties, thermal properties, molecular orientations, and mechanical properties of undrawn and drawn UHMWPE/LMWPE gel film specimens. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2008
Physicochemical characterization and antioxidant activity of quercetin‐loaded chitosan nanoparticles
Authors: Zhang Yuying , Yang Yan , Tang Kai , Hu Xing , Zou Guolin
Published: September 2007

Quercetin is an abundant flavonoid in food plants with numerous biological activities and widely used as a potent antioxidant. Being sparingly soluble in water and subject to degradation in aqueous intestinal fluids, the absorption of quercetin is limited upon oral administration. In the present study, chitosan nanoparticles and quercetin‐loaded nanoparticles were prepared based on the ionic gelation of chitosan with tripolyphosphate anions. The encapsulation of quercetin in the chitosan nanoparticles were confirmed by differential scanning calorimetry, X‐ray powder diffractometry, Fourier transformed infrared spectroscopy, ultraviolet‐visible spectrum, and fluorescence spectrum. The morphology of the nanoparticles was characterized by atomic force microscopy. The antioxidant activity of the quercetin‐nanoparticles was also evaluated in vitro by two different methods (free radical scavenging activity test and reducing power test), which indicates that inclusion of quercetin in chitosan nanopaticles may be useful in improving the bioavailabilty of quercetin. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2008
Processing and properties of mineral‐interfaced cellulose fibre composites
Authors: Thunwall Mats , Boldizar Antal , Rigdahl Mikael , Banke Karl , Lindström Tom , Tufvesson Helena , Högman Stefan
Published: September 2007

Polypropylene (PP) or, in some cases, poly (lactic acid) (PLA) were compounded with cellulosic fibres. The amount of fibres used was in the range 10–30 vol % and, in case of PP, a series of compounds was prepared with a minor amount of maleated PP as a compatibiliser. This matrix was denoted MAPP. Before compounding the polymers and the fibres, undelaminated bentonite (industrial scale) or delaminated clay (nanoclay) was deposited on the fibres in different amounts to improve the dispersion of the fibres in the polymer matrix, i. e., to avoid detrimental fibre bundles. The PP‐based compounds were either extruded or injection moulded, whereas the PLA‐compounds were only injection moulded. The mechanical properties were primarily evaluated for the injection moulded specimens. In general, the fibres had a strong effect on the mechanical behaviour of the materials, especially in the case of PLA and MAPP. Treating the fibres with undelaminated clay or nanoclay improved to some extent the dispersion of the fibres and the mechanical performance of the composites, but further optimization of the function of the mineral in this respect is probably required. The combination of the mineral treatment with a debonding agent appeared to be an interesting route here. With such a combination, a visually very good dispersion of the fibres in the PP‐based matrix could be obtained, partly at the expense of the mechanical performance. The compounding of the cellulosic fibres with PP led in this case to a marked decrease in the fibre length. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2008
Information, analysis, and ideology: A case study of science and the public interest
Authors: Budd John M.
Published: September 2007

The politicization of science is not a new phenomenon, but the disputes surrounding global climate change have been particularly subject to ideological positioning. The work conducted by researchers on the description of, and possible causes for, climate change is reflected in the formal record of scientific discourse. The political and ideological claims about climate change are themselves reflected in the governmental and popular records. With regard to the particular work by Michael Mann and his colleagues, the three records (scientific, governmental, and popular) collide. Close examination of the totality of the record demonstrates the background, nature, and bases of claims made on all sides. The examination further demonstrates that the governmental and popular records are informed not by scientific research and communication but by ideological stances.
Assessment of SAR and thermal changes near a cochlear implant system for mobile phone type exposures
Authors: McIntosh Robert L. , Iskra Steve , McKenzie Raymond J. , Chambers John , Metzenthen Bill , Anderson Vitas
Published: September 2007

A cochlear implant system is a device used to enable hearing in people with severe hearing loss and consists of an internal implant and external speech processor. This study considers the effect of scattered radiofrequency fields when these persons are subject to mobile phone type exposure. A worst‐case scenario is considered where the antenna is operating at nominal full power, the speech processor is situated behind the ear using a metallic hook, and the antenna is adjacent to the hook and the internal ball electrode. The resultant energy deposition and thermal changes were determined through numerical modelling. With a 900 MHz half‐wave dipole antenna producing continuous‐wave (CW) 250 mW power, the maximum 10 g averaged SAR was 1.31 W/kg which occurred in the vicinity of the hook and the ball electrode. The maximum temperature increase was 0.33 °C in skin adjacent to the hook. For the 1800 MHz antenna, operating at 125 mW, the maximum 10 g averaged SAR was 0.93 W/kg in the pinna whilst the maximum temperature change was 0.16 °C. The analysis predicts that the wearer complies with the radiofrequency safety limits specified by the International Commission on Non‐Ionizing Radiation Protection (ICNIRP), the Institute of Electrical and Electronics Engineers (IEEE), and the Australian Radiation Protection and Nuclear Safety Agency (ARPANSA) for 900 and 1800 MHz mobile phone type exposure and thus raises no cause for concern. The resultant temperature increase is well below the maximum rise of 1 °C recommended by ICNIRP. Effects in the cochlea were insignificant. Bioelectromagnetics 29:71–80, 2008. © 2007 Wiley‐Liss, Inc.
Enhancement of gene transfer using YIGSR analog of Tat‐derived peptide
Authors: Saleh Amer F. Alhaj , Aojula Harmesh S. , Pluen Alain
Published: September 2007

Cell penetrating peptide based gene carriers are notably known for low level of gene transfer. To remedy this, as laminin receptor (LR) has been previously linked to tumor metastasis, the LR‐binding domain (YIGSR) as well as a scrambled sequence (SGIYR) were added to Tat‐derived peptide sequence (YIGSR‐Tat and SGIYR‐Tat respectively). Peptides cellular uptake was assessed with high‐LR (HT1080) and low‐LR (HT29) cell lines by flow cytometry. Their ability to form complexes with DNA was examined using YOPRO‐1 fluorescence assay and their transfection efficiencies evaluated using a luciferase reporter gene assay. DNA complexes were formed at (+/−) charge ratios as low as 2:1. While no conclusion could be drawn on the effect of YIGSR sequence on peptides uptake in both cell lines, a significant improvement in gene transfection in HT1080 cells was achieved using YIGSR‐Tat compared to Tat and SGIYR‐Tat. Additionally this increased efficiency was inhibited by excess free YIGSR. No significant difference in transfection efficiency was observed between Tat, SGIYR‐Tat and YIGSR‐Tat based complexes in HT29 cells. These studies demonstrate that attachment of receptor‐binding ligand (YIGSR) to Tat‐derived peptide can improve the efficiency of gene transfer in LR‐positive cells (HT1080). © 2007 Wiley Periodicals, Inc. Biopolymers 89: 62–71, 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
Limited additional value of positron emission tomography in staging oesophageal cancer
Authors: van Westreenen H L , Westerterp M , Sloof G W , Groen H , Bossuyt P M M , Jager P L , Comans E F , van Dullemen H M , Fockens P , Stoker J , van der Jagt E J , van Lanschot J J B , Plukker J T M
Published: September 2007

Background

The detection of distant metastases in patients with oesophageal cancer may be improved with [18F]fluorodeoxyglucose positron emission tomography (FDG-PET), preventing unnecessary surgical explorations. The aim of this study was to assess the additional value of FDG-PET after a state-of-the-art preoperative staging protocol.

Methods

All patients in this prospective cohort study were staged with multidetector computed tomography, endoscopic ultrasonography and external ultrasonography of the neck, both combined with selective fine-needle aspiration cytology. Patients considered eligible for curative surgery after these investigations underwent FDG-PET.

Results

FDG-PET revealed suspicious hot spots in 30 (15·1 per cent) of 199 patients. Metastases were confirmed in eight (4·0 per cent). In six of these, distant metastases were confirmed before surgery, but exploratory surgery was necessary for histological confirmation in the other two. All eight upstaged patients had clinical stage III–IV disease before FDG-PET (6·6 per cent of 122 with stage III–IV disease). In seven patients (3·5 per cent) hot spots appeared to be synchronous neoplasms, mainly colonic polyps. However, those in the remaining 15 (7·5 per cent) were false positive, leading to unnecessary additional investigations.

Conclusion

FDG-PET improves the selection of patients with oesophageal cancer for potentially curative surgery, especially in stages III–IV. However, the diagnostic benefit is limited after state-of-the-art staging, and so broad implementation in daily clinical practice is questionable.
Preventing alcohol‐related violence: a public health approach
Authors: Shepherd Jonathan
Published: September 2007

Background Studies of the relationship between alcohol and violent injury confirm that while there is some evidence of a direct pharmacological association, many other factors are relevant to the frequency and severity of both violent perpetration and being a victim of violence. It is now widely recognized that official police statistics are a poor indicator of the nature and extent of public violence.

Aims Accident and emergency departments and trauma surgeons are not only in a position to provide more accurate information on the nature and extent of clinically significant injury, but they can contribute substantially to violence prevention. This can be achieved through individually targeted interventions in conjunction with other clinicians on the one hand, and on the other through public health and community initiatives, in conjunction with other community agencies, including the police and local authorities. This article describes some of those initiatives and the evidence underpinning them. Copyright © 2007 John Wiley & Sons, Ltd.
Thermoelectric Properties of Re3Ge0.6As6.4 and Re3GeAs6 in Comparison to Mo3Sb5.4Te1.6.
Authors: Soheilnia Navid , Xu Hong , Zhang Huqin , Tritt Terry M. , Swainson Ian , Kleinke Holger
Published: September 2007

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, please click on HTML or PDF.
Preparation of GaN Powder by Mechanochemical Treatment of Gallium under Ammonia Gas Environment.
Authors: Kano Junya , Jenfeng Lu , Kang In‐Cheol , Tongamp William , Kobayashi Eiko , Saito Fumio
Published: September 2007

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, please click on HTML or PDF.
Synthesis, Crystal Structure, Vibrational Spectroscopy and Thermal Behavior of the First Alkali Metal Hydrated Hexaborate: K2[B6O9(OH)2].
Authors: Li Hong‐Juan , Liu Zhi‐Hong , Sun Li‐Mei
Published: September 2007

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, please click on HTML or PDF.
An Ordered Assembly of Filled Nanoscale Tubules of Europium Seleno‐silicate in the Cyrstal Structure of a Quaternary Compound.
Authors: Choudhury Amitava , Dorhout Peter K.
Published: September 2007

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, please click on HTML or PDF.
A Highly Active Chiral Ruthenium‐Based Catalyst for Enantioselective Olefin Metathesis.
Authors: Fournier Pierre‐Andre , Collins Shawn K.
Published: September 2007

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, please click on HTML or PDF.
Thermal [2 + 2] Cycloaddition of Allenynes: Easy Construction of Bicyclo[6.2.0]deca‐1,8‐dienes, Bicyclo[5.2.0]nona‐1,7‐dienes, and Bicyclo[4.2.0]octa‐1,6‐dienes.
Authors: Mukai Chisato , Hara Yasuyuki , Miyashita Yusuke , Inagaki Fuyuhiko
Published: September 2007

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, please click on HTML or PDF.
Microwave‐Assisted Deformylation of N‐Aryl Formamide by KF on Basic Al2O3.
Authors: Ge Yiyu , Hu Longqin
Published: September 2007

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, please click on HTML or PDF.
Use of a Scientific Microwave Apparatus for Rapid Optimization of Reaction Conditions in a Monomode Function and then Substrate Screening in a Multimode Function.
Authors: Leadbeater Nicholas E. , Schmink Jason R.
Published: September 2007

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, please click on HTML or PDF.
A Novel Isocyanide‐Based Three‐Component Condensation Reaction: Synthesis of Fully Substituted Imino‐ and Spiroiminocyclopentenes.
Authors: Shaabani Ahmad , Rezayan Ali Hossein , Rahmati Abbas , Sarvary Afshin
Published: September 2007

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, please click on HTML or PDF.
Copper‐Catalyzed Cross‐Coupling Reactions of Bromoalkynols with Terminal Alkynes in Supercritical Carbon Dioxide.
Authors: Jiang Huan‐Feng , Wang A‐Zhong
Published: September 2007

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, please click on HTML or PDF.
Asymmetric Synthesis of syn‐α‐Substituted β‐Amino Ketones by Using Sulfinimines and Prochiral Weinreb Amide Enolates.
Authors: Davis Franklin A. , Song Minsoo
Published: September 2007

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, please click on HTML or PDF.
Catalytic Hydrogenation of α,β‐Epoxyketones to β‐Hydroxyketones with Two Sulfinyl Analogues of Coenzyme NADH Models.
Authors: Xie Kun , Cui Yi , Liu You‐Cheng , Fu Yao
Published: September 2007

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, please click on HTML or PDF.
A New Zn/TiCl4/LiAlH4 Mediated Approach to 2‐Aryl‐ or 2‐Alkyl‐Substituted Benzothiophenes via Intramolecular Cyclization.
Authors: Jeong Hyung Jae , Yoon Un Young , Jang Sang Hun , Yoo Un‐Aeh , Kim Su Nam , Truong Ba Tai , Shin Sung Chul , Yoon Yong‐Jin , Singh Okram Mukherjee , Lee Sang‐Gyeong
Published: September 2007

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, please click on HTML or PDF.
A Novel Synthesis of Spiro(imidazolidine‐2,3′‐benzo[b]thiophene) by One‐Pot Reaction of Arynes, Aryl Isothiocyanates and N‐Heterocyclic Carbenes.
Authors: Xue Jian , Yang Yewei , Huang Xian
Published: September 2007

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, please click on HTML or PDF.
A Pd(0)‐Catalyzed Diamination of Terminal Olefins at Allylic and Homoallylic Carbons via Formal C—H Activation under Solvent‐Free Conditions.
Authors: Du Haifeng , Yuan Weicheng , Zhao Baoguo , Shi Yian
Published: September 2007

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, please click on HTML or PDF.
syn‐1,2‐Amino Alcohols via Diastereoselective Allylic C—H Amination.
Authors: Fraunhoffer Kenneth J. , White M. Christina
Published: September 2007

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, please click on HTML or PDF.
Studies on Synthesis and Pharmacological Activities of 3,6‐Disubstituted‐1,2,4‐triazolo[3,4‐b]‐1,3,4‐thiadiazoles and Their Dihydro Analogues.
Authors: Mathew Vinod , Keshavayya J. , Vaidya V. P. , Giles D.
Published: September 2007

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, please click on HTML or PDF.
Three‐Component Barbier Allylation, Friedel—Crafts Alkylation and Intramolecular Hydroalkoxylation in an Ionic Liquid for the Direct Synthesis of 4‐Arylchromans.
Authors: Zhao Xian‐Liang , Liu Li , Chen Yong‐Jun , Wang Dong
Published: September 2007

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, please click on HTML or PDF.
Oxidative Aromatization of Hantzsch 1,4‐Dihydropyridines in the Presence of Mixed‐Addenda Vanadomolybdophosphate Heteropolyacid, H6PMo9V3O40.
Authors: Heravi Majid M. , Derikvand Fatemeh , Hassan‐Pour Shahla , Bakhtiari Khadijeh , Bamoharram Fatemeh F. , Oskooie Hossein A.
Published: September 2007

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, please click on HTML or PDF.
A General and Efficient 2‐Amination of Pyridines and Quinolines.
Authors: Yin Jingjun , Xiang Bangping , Huffman Mark A. , Raab Conrad E. , Davies Ian W.
Published: September 2007

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, please click on HTML or PDF.
Diastereoselective Synthesis of 2‐Monosubstituted and 2,6‐Disubstituted Piperidines.
Authors: Abrunhosa‐Thomas Isabelle , Roy Olivier , Barra Marielle , Besset Tatiana , Chalard Pierre , Troin Yves
Published: September 2007

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, please click on HTML or PDF.
One‐Pot Synthesis of 3,4‐Dihydropyrimidin‐2(1H)‐ones Using Chloroacetic Acid as Catalyst.
Authors: Yu Yang , Liu Di , Liu Chungsheng , Luo Genxiang
Published: September 2007

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, please click on HTML or PDF.
An Efficient Solid Acid Promoted Synthesis of Quinoxaline Derivatives at Room Temperature.
Authors: Ahmad Shaabani , Ali Maleki
Published: September 2007

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, please click on HTML or PDF.
Azinyl Sulfides. Part 95. Synthesis of Novel Dipyrido‐1,4‐thiazines.
Authors: Morak‐Mlodawska Beata , Pluta Krystian
Published: September 2007

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, please click on HTML or PDF.
Eight‐Membered‐Ring Lactams — New Scaffolds for Combinatorial Chemistry Prepared by Ring‐Expansion of 1,4‐Diketones with Primary Amines.
Authors: Pflantz Rebekka , Tielmann Patrick , Roessle Michael , Hoenke Christoph , Christoffers Jens
Published: September 2007

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, please click on HTML or PDF.
Total Synthesis of Erythromycin B.
Authors: Martin Stephen F. , et al. et al.
Published: September 2007

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, please click on HTML or PDF.
Stereoselective Synthesis of (‐)‐Blepharocalyxin D.
Authors: Ko Haye Min , Lee Dong Gil , Kim Min Ah , Kim Hak Joong , Park Jaejoon , Lah Myoung Soo , Lee Eun
Published: September 2007

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, please click on HTML or PDF.
Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant Targets.
Authors: Zhou Zhiyong , Felts Anthony K. , Friesner Richard A. , Levy Ronald M.
Published: September 2007

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, please click on HTML or PDF.
Recursive Distance Partitioning Algorithm for Common Pharmacophore Identification.
Authors: Zhu Fangqiang , Agrafiotis Dimitris K.
Published: September 2007

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, please click on HTML or PDF.
Ligand‐Based Models for the Isoform Specificity of Cytochrome P450 3A4, 2D6, and 2C9 Substrates.
Authors: Terfloth Lothar , Bienfait Bruno , Gasteiger Johann
Published: September 2007

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, please click on HTML or PDF.
Monitoring Metals in Terrestrial Environments within a Bioavailability Framework and a Focus on Soil Extraction
Authors: Peijnenburg Willie J. G. M. , Zablotskaja Marina , Vijver Martina G.
Published: September 2007

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, please click on HTML or PDF.
Correlation between neutral density variation and optical emission accompanying streamer progression upon application of a lightning impulse
Authors: Fukuchi Tetsuo , Nemoto Koshichi
Published: September 2007

Neutral density variations accompanying progression of streamers, which occur upon application of a lightning impulse to an air gap, were observed using laser interferometry. The optical emission accompanying streamer progression was monitored simultaneously. In the case of positive polarity, the spatial distribution of neutral density variations and optical emission showed high correlation. In the case of negative polarity, the correlation was substantially lower, and neutral density variations were often observed when optical emission from the corresponding region was absent. The results showed that the correlation between the spatial distributions of neutral density variations and of optical emission differs largely according to the polarity. © 2007 Wiley Periodicals, Inc. Electr Eng Jpn, 162(1): 1–6, 2008; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20635
Why is there no wind rush in France?
Authors: Szarka Joseph
Published: September 2007

In France, an ambitious programme to expand electricity from renewables was outlined in the year 2000 Electricity Bill and led to the establishment of a feed‐in tariff guaranteeing kilowatt hour prices to targeted suppliers. Because this support mechanism was a major cause of the dramatic expansion of wind power in Denmark, Germany and Spain, it was expected to have similar consequences in France. However, the pace of expansion proved moderate over 2000–5, with some acceleration since. This article explains these outcomes by reference to three factors: (1) the influence of institutional frameworks, (2) the impact of industry structures and (3) the role of mobilising discourses. Finally, it surveys policy reforms in 2005–7 to accelerate deployment. Noting that France's 2010 target of 21% of electricity generation from renewables is unlikely to be met, the article concludes that policy makers need to look beyond the mere choice of policy instrument (such as a feed‐in tariff). Its main finding is that the impact of a policy instrument is heavily influenced not just by its settings (in this context, the level of economic incentive offered to market actors) but also by the institutional and industrial contexts of usage and by the relevance of mobilising discourses. Copyright © 2007 John Wiley & Sons, Ltd and ERP Environment.
Learning from wind energy policy in the EU: lessons from Denmark, Sweden and Spain
Authors: Meyer Niels I.
Published: September 2007

Energy policy has recently become an important point on the political agenda of the EU, mainly due to the approaching ‘peak oil’ and climate change. This is increasing the focus on renewable energy sources, especially wind power, as an alternative to fossil fuels. In order to deduce the most efficient policies for promoting wind power, this paper compares the different national energy policies adopted by Denmark, Sweden and Spain, and relates them to wind energy outcomes. The successful promotion of Danish wind power in the last two decades of the 20th century is related to a number of factors including individual entrepreneurs, early official certification of wind turbines, systematic government support including favourable economic tariff schemes, and cooperative private ownership of wind turbines, which fostered broad public support. The analysis demonstrates the importance of long‐range national energy policies in creating and stabilizing the conditions required for the development of more sustainable energy systems. The lack or delayed development of such a supportive, stable environment explains the different patterns of wind development seen in Sweden and Spain, and points to the problems created by liberalized and short‐sighted commercial energy market, even for wind energy pioneers like Denmark. Copyright © 2007 John Wiley & Sons, Ltd and ERP Environment.
Wind power and ‘the planning problem’: the experience of Wales
Authors: Cowell Richard
Published: September 2007

Across Europe, spatial planning has acquired an important role in steering wind power to more socially acceptable locations. However, the tendency for planning decisions to become a focus of opposition has also led to planning being represented as ‘a problem’ in meeting renewable energy targets. Using Jessop's dialectical relationship between modes and objects of governance, this paper seeks to understand why certain states are inclined to resolve ‘the planning problem’ for wind through strengthened national control. The case study is the Welsh Assembly Government's 2005 planning guidance on renewable energy, which superimposes centrally‐determined ‘Strategic Search Areas’ for large‐scale, onshore wind farm development onto local decision‐making processes. Motivations for adopting this approach reflect the UK's centralizing planning culture, and beliefs that local planning processes will not yield sufficient sites to meet targets for wind power expansion. Responses to this planning guidance suggest that it may stabilizing the regulatory conditions for large‐scale wind investment in the short term, in some parts of Wales, but faces a number of points of vulnerability in the longer term. Copyright © 2007 John Wiley & Sons, Ltd and ERP Environment.
Lab‐on‐a‐chip for oral cancer screening and diagnosis
Authors: Ziober Barry L. , Mauk Michael G. , Falls Erica M. , Chen Zongyuan , Ziober Amy F. , Bau Haim H.
Published: September 2007

Oral squamous cell carcinoma (OSCC) is a disfiguring and deadly cancer. Despite advances in therapy, many patients continue to face a poor prognosis. Early detection is an important factor in determining the survival of patients with OSCC. No accurate, cost‐efficient, and reproducible method exists to screen patients for OSCC. As a result, many patients are diagnosed at advanced stages of the disease. Early detection would identify patients, facilitating timely treatment and close monitoring. Mass screening requires a rapid oral cancer diagnostic test that can be used in a clinical setting. Current diagnostic techniques for OSCC require modern laboratory facilities, sophisticated equipment, and elaborate and lengthy processing by skilled personnel. The lab‐on‐chip technology holds the promise of replacing these techniques with miniaturized, integrated, automated, inexpensive diagnostic devices. This article describes lab‐on‐chip devices for biomarker‐based identification of oral cancer. Similar methods can be employed for the screening of other types of cancers. © 2007 Wiley Periodicals, Inc. Head Neck, 2008
Comparison of reconstructive procedures in primary versus secondary mandibular reconstruction
Authors: Andrade William N. , Lipa Joan E. , Novak Christine B. , Grover Harpreet , Bang Christian , Gilbert Ralph W. , Neligan Peter C.
Published: September 2007

Background.

Few reports have compared reconstructive outcomes of primary versus secondary mandibular reconstruction.

Methods.

A retrospective chart review was performed on 149 patients following primary (n = 110) and secondary reconstruction (n = 39).

Results.

There was no statistically significant difference in patient demographics between the 2 groups. The secondary reconstruction mandibular defects were more extensive; significantly more involved the condyle or the central portion of the mandible. The vascularized fibular flap was most commonly used (primary 82%, secondary 69%). The overall complication rate was similar in both groups. There was no statistical difference in the frequency of complications between the primary or secondary reconstruction groups (acute, p = .40; late, p = .17).

Conclusions.

Success in secondary mandibular reconstruction could be achieved utilizing a range of osseous free flaps, and there was no increased rate of complications compared with primary mandibular reconstructions. © 2007 Wiley Periodicals, Inc. Head Neck, 2008
GSK‐3 mediates the okadaic acid‐induced modification of collapsin response mediator protein‐2 in human SK‐N‐SH neuroblastoma cells
Authors: Ni Mei‐Hui , Wu Chih‐Ching , Chan Wen‐Hsiung , Chien Kun‐Yi , Yu Jau‐Song
Published: September 2007

Collapsin response mediator protein‐2 (CRMP‐2), a phosphoprotein involved in axonal outgrowth and microtubule dynamics, is aberrantly phosphorylated in Alzheimer's disease (AD) brain. Alteration of glycogen synthase kinase‐3 (GSK‐3) activity is associated with the pathogenesis of AD. Here, we show that CRMP‐2 is one of the major substrates for GSK‐3 in pig brain extracts. Both GSK‐3α and 3β phosphorylate purified pig brain CRMP‐2 and significantly alter its mobility in SDS‐gels, resembling the CRMP‐2 modification observed in AD brain. Interestingly, this modification can be detected in SK‐N‐SH neuroblastoma cells treated with a phosphatase inhibitor, okadaic acid (OA), and GSK‐3 inhibitors completely block this OA‐induced event. Knockdown of both GSK‐3α and 3β, but not either kinase alone, impairs OA‐induced modification of CRMP‐2. Mutation of Ser‐518 or Ser‐522 of CRMP‐2, which are highly phosphorylated in AD brain, to Ala blocks the OA‐induced modification of CRMP‐2 in SK‐N‐SH cells. Ser‐522 prephosphorylated by Cdk5 is required for subsequent GSK‐3α‐mediated phosphorylation of CRMP‐2 in vitro. Collectively, our results demonstrate for the first time that OA can induce phosphorylation of CRMP‐2 in SK‐N‐SH cells at sites aberrantly phosphorylated in AD brain, and both GSK‐3α and 3β and Ser‐522 kinase(s) are involved in this process. J. Cell. Biochem. 103: 1833–1848, 2008. © 2007 Wiley‐Liss, Inc.
Combination of multiphoton and reflective confocal imaging of cornea
Authors: Chen Wei‐Liang , Sun Yen , Lo Wen , Tan Hsin‐Yuan , Dong Chen‐Yuan
Published: September 2007

We combine reflective confocal microscopy with multiphoton microscopy to form a minimally invasive technique to observe the cornea. The two imaging modalities allow detection of complementary information from the cornea. The autofluorescence signal shows the cytoplasm of epithelial cells, and the second harmonic generation signal is used to detect collagen, found mostly in the stroma of the cornea. The reflective confocal imaging allows detection of epithelial cells and keratocytes in the stroma. The system is first tested on bovine cornea. Assessment of the result on the bovine eye will be used to evaluate the potential of the system as a technique for in vivo clinical application. Microsc. Res. Tech., 2008. © 2007 Wiley‐Liss, Inc.
Bombesin promotes vasculogenesis and angiogenesis in chick chorio‐allantoic membrane: A morphometric, structural, and ultrastructural study
Authors: Quagliata Sara , Pacini Stefania , Punzi Tiziana , Malentacchi Cecilia , Ruggiero Marco , Delfino Giovanni
Published: September 2007

Experiments were performed on the chorio‐allantoic membrane (CAM) of the chick to evaluate the effects of bombesin (BN) on vascular neoformation. In morphometrical assays, 10−13–10−4 M BN promoted dose‐dependent vascular development. Newly formed vessels converged toward the BN release site in a spoked wheel arrangement, suggesting a diffusion gradient mechanism. Structural and ultrastructural analysis of CAM specimens collected near the BN release site showed that both vasculogenetic and angiogenetic processes cooperated in vascular neoformation that involved committed cells from the mesenchyme (angioblasts) as well as endothelial cells. No pattern of vascular development was detected away from the BN release site. Findings from the present study emphasize the role of BN in vascular net development of respiratory organs. J. Morphol., 2008. © 2007 Wiley‐Liss, Inc.
Statistical aspects of van't Hoff analysis: a simulation study
Authors: Zhukov Andrei , Karlsson Robert
Published: September 2007

The thermodynamics of biological interactions is frequently studied by the van't Hoff analysis whereby data on variation of the binding constant KD with temperature are used to obtain estimates of standard enthalpy (ΔH°), entropy (ΔS°), and heat capacity (ΔCP°) of complex formation. A Monte Carlo simulation demonstrates that the absolute error of the above parameters is proportional to the relative error of KD and independent of the actual values of KD and of the way they vary with temperature. The error of ΔH° is approximately the same as that of TΔS° (within 14% in the temperature range 5–45°C). The error depends both on the number of temperature points within the experimental temperature range and on the size of the range, but it is more sensitive to the latter. Using the linear form of the van't Hoff equation to fit data with non‐zero ΔCP° gives erroneous ΔH° and ΔS° estimates at standard temperature except for the case when the T points are placed symmetrically with respect to the standard temperature. With the range of ΔCP° values usual for protein–protein interactions, the KD error must be very low to confidently infer that ΔCP° is non‐zero or to claim that two interactions have different ΔCP°. Copyright © 2007 John Wiley & Sons, Ltd.
Probing the mechanism of direct Mannich‐type α‐methylenation of ketoesters via electrospray ionization mass spectrometry
Authors: Milagre Cíntia D. F. , Milagre Humberto M. S. , Santos Leonardo S. , Lopes Marcelo L. A. , Moran Paulo J. S. , Eberlin Marcos N. , Rodrigues J. Augusto R.
Published: September 2007

Reactions promoting direct Mannich‐type α‐methylenation of α, β and γ‐ketoesters have been monitored via electrospray ionization mass and tandem mass spectrometric experiments. Key intermediates of the catalytical cycle of this synthetically useful reaction have been intercepted and characterized. The mechanistic information provided by electrospray ionization mass spectrometry/mass spectrometry (ESI‐MS/MS) guided the optimization of reaction conditions, allowing α‐methyleneketoesters to be prepared in high yields (80–95%) and in high‐enough purity for immediate further manipulation. Copyright © 2007 John Wiley & Sons, Ltd.
Differentiation of rum and Brazilian artisan cachaça via electrospray ionization mass spectrometry fingerprinting
Authors: de Souza Patterson P. , Augusti Daniella V. , Catharino Rodrigo R. , Siebald Helmuth G. L. , Eberlin Marcos N. , Augusti Rodinei
Published: September 2007

Rum and cachaça are sugarcane distillates produced on large scales and of similar composition, and their differentiation is currently a subject of commercial dispute and a challenging analytical task. We have investigated the ability of direct‐infusion electrospray ionization mass spectrometry in the negative ion mode, i.e. ESI(−)‐MS, to distinguish between samples of these distillates. ESI(−)‐MS fingerprints were collected for some samples of Brazilian artisan cachaça, aged in two types of wooden casks, i. e. amburana (Amburana cearensis) and jequitibá (Cariniana estrellensis), and of commercial rum. The mass spectra were found to be very distinctive, showing sets of diagnostic ions for each type of sample, i. e. (1) cachaça aged in amburana (m/z 271, 313, 377) and jequitibá (m/z 171, 255, 455) casks; and (2) commercial rum (m/z 89, 97, 179, 255, 283). When applied to the ESI(−)‐MS data, principal component analysis and hierarchical cluster analysis split rum and cachaça samples into well‐defined groups. Moreover, the two types of cachaça samples aged in wooden casks of amburana or jequitibá were also split into two distinct groups. Direct‐infusion ESI(−)‐MS can therefore be potentially applied to the rapid, simple, and accurate differentiation of these commercially important sugarcane distillates. Copyright © 2007 John Wiley & Sons, Ltd.
Photolytic degradation of the insecticide thiamethoxam in aqueous medium monitored by direct infusion electrospray ionization mass spectrometry
Authors: de Urzedo Ana P. F. M. , Diniz M. E. R. , Nascentes Clésia C. , Catharino Rodrigo R. , Eberlin Marcos N. , Augusti Rodinei
Published: September 2007

Photodegradation of the insecticide thiamethoxam (1), 3‐[(2‐chloro‐5‐thiazolyl)methyl]tetrahydro‐5‐methyl‐N‐nitro‐4H‐1,3,5‐oxadiazin‐4‐imine, in an aqueous medium was monitored by electrospray ionization mass spectrometry in the positive ion mode, ESI(+)‐MS. An aqueous solution of (1) was incessantly exposed to a UV radiation source and aliquots were taken after reaction times of 1, 2, 3, and 4 h. Analysis by GC/NCI‐MS revealed that (1) was continuously degraded under these experimental conditions. However, the total organic carbon (TOC) content remained practically constant during the exposition period, thereby indicating that 1 was not mineralized but continuously converted into other compounds. ESI(+)‐MS monitoring revealed that whereas the intensity of the ions of m/z 292/294 ([1 + H]+) constantly decreased, there was the emergence of other ions of m/z 247/249, 197, 168, and 116 whose intensities simultaneously increased. Their structures were proposed on the basis of: (1) the data of their ESI(+)‐MS/MS; (2) their high resolution m/z values; and (3) a plausible reactivity of the thiamethoxam molecule exposed to UV radiation in aqueous solution. Finally, these data allowed us to suggest a reaction route for the photodegradation of 1 in an aqueous medium. Copyright © 2007 John Wiley & Sons, Ltd.
Optimization of the ESI and APCI experimental variables for the LC/MS determination of s‐triazines, methylcarbamates, organophosphorous, benzimidazoles, carboxamide and phenylurea compounds in orange samples
Authors: Titato Guilherme M. , Bicudo Rogério C. , Lanças Fernando M.
Published: September 2007

In this work, ten selected pesticides of different chemical groups, indicated to orange culture, were extracted and determined by liquid chromatography–mass spectrometry using both electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) operating in the positive ion detection mode. Applying a variables selection technique verified that cone voltage, source temperature and drying‐gas flow‐rate are the critical variables when the ESI was used, while cone voltage was found to be the only critical variable for the MS system, operating with the APCI ionization mode. After optimization of the most important parameters through the variables selection technique, the selected ion‐recording (SIR) mode, monitoring the [M + H]+ species for all the compounds, was applied for the method validation of the pesticides, in both ionization modes. In orange samples, matrix effects did not interfere with the determination of the pesticides. Pesticides quantification limits ranged from 10 to 50 µg kg−1 for ESI and from 8.2 to 45 µg kg−1 for APCI. Linearity was studied from LOQ upto 200 times LOQ values (r > 0.98). Recoveries obtained were in the range of 70.2–100.5% (RSDs less than 10%). In order to guarantee that the identification and confirmation of the studied pesticides in real samples were unequivocal, characteristic fragment ions of the pesticides were obtained by varying the cone voltage (in‐source CID). Copyright © 2007 John Wiley & Sons, Ltd.
Fiber introduction mass spectrometry: determination of pesticides in herbal infusions using a novel sol–gel PDMS/PVA fiber for solid‐phase microextraction
Authors: da Silva Rogério Cesar , Zuin Vânia Gomes , Yariwake Janete Harumi , Eberlin Marcos Nogueira , Augusto Fabio
Published: September 2007

An application of the direct coupling of solid‐phase microextraction (SPME) with mass spectrometry (MS), a technique known as fiber introduction mass spectrometry (FIMS), is described to determine organochlorine (OCP) and organophosphorus (OPP) pesticides in herbal infusions of Passiflora L. A new fiber coated with a composite of poly(dimethylsiloxane) and poly(vinyl alcohol) (PDMS/PVA) was used. Sensitive, selective, simple and simultaneous quantification of several OCP and OPP was achieved by monitoring diagnostic fragment ions of m/z 266 (chlorothalonil), m/z 195 (α‐endosulfan), m/z 278 (fenthion), m/z 263 (methyl parathion) and m/z 173 (malathion). Simple headspace SPME extraction (25 min) and fast FIMS detection (less than 40 s) of OCP and OPP from a highly complex herbal matrix provided good linearity with correlation coefficients of 0.991–0.999 for concentrations ranging from 10 to 140 ng ml−1 of each compound. Good accuracy (80 to 110%), precision (0.6–14.9%) and low limits of detection (0.3–3.9 ng ml−1) were also obtained. Even after 400 desorption cycles inside the ionization source of the mass spectrometer, no visible degradation of the novel PDMS/PVA fiber was detected, confirming its suitability for FIMS. Fast (ca 20 s) pesticide desorption occurs for the PDMS/PVA fiber owing to the small thickness of the film and its reduced water sorption. Copyright © 2007 John Wiley & Sons, Ltd.