bluuebunny/crossref_metadata_2025 huggingface dataset:
The effect of over‐commitment and reward on trapezius muscle activity and shoulder, head, neck, and torso postures during computer use in the field
Authors: Bruno Garza Jennifer L. , Eijckelhof Belinda H.W. , Huysmans Maaike A. , Catalano Paul J. , Katz Jeffrey N. , Johnson Peter W. , van Dieen Jaap H. , van der Beek Allard J. , Dennerlein Jack T.
Published: July 2013

Background

Because of reported associations of psychosocial factors and computer related musculoskeletal symptoms, we investigated the effects of a workplace psychosocial factor, reward, in the presence of over‐commitment, on trapezius muscle activity and shoulder, head, neck, and torso postures during computer use.

Methods

We measured 120 office workers across four groups (lowest/highest reward/over‐commitment), performing their own computer work at their own workstations over a 2‐hr period.

Results

Median trapezius muscle activity (P = 0.04) and median neck flexion (P = 0.03) were largest for participants reporting simultaneously low reward and high over‐commitment. No differences were observed for other muscle activities or postures.

Conclusions

These data suggest that the interaction of reward and over‐commitment can affect upper extremity muscle activity and postures during computer use in the real work environment. This finding aligns with the hypothesized biomechanical pathway connecting workplace psychosocial factors and musculoskeletal symptoms of the neck and shoulder. Am. J. Ind. Med. 56:1190–1200, 2013. © 2013 Wiley Periodicals, Inc.
A job‐exposure matrix for research and surveillance of occupational health and safety in Spanish workers: MatEmESp
Authors: García Ana M. , González‐Galarzo M. Carmen , Kauppinen Timo , Delclos Georges L. , Benavides Fernando G.
Published: July 2013

Background

In this study we describe a general‐population job‐exposure matrix (MatEmESp) for Spanish workers covering the period 1996–2005.

Methods

The Finnish job‐exposure matrix (FINJEM) provided the default value estimates for occupational exposure to chemical, physical and biological agents. These estimates were adapted to Spanish working conditions by local experts. Spanish surveys were used to obtain exposure estimates for ergonomic and psychosocial risk factors. Employment and socio‐demographic conditions for Spanish workers were obtained from the Spanish National Statistics Institute.

Results

MatEmESp provides a large amount of national and occupation‐specific data on the major occupational exposures in Spain. As some examples, the data show that the most prevalent occupational hazards are repetitive movements and a lack of support from co‐workers. In addition, 10% of the Spanish working population perform night shifts, and bricklayers and concrete workers are the job titles with the highest risk of exposure to quartz dust.

Conclusions

MatEmESp can be a useful tool for research and surveillance, and can help set priorities for occupational illness and injury prevention in Spain. Am. J. Ind. Med. 56:1226–1238, 2013. © 2013 Wiley Periodicals, Inc.
Chitosan‐based wet‐spun scaffolds for bioactive agent delivery
Authors: Ucar Seniz , Yilgor Pinar , Hasirci Vasif , Hasirci Nesrin
Published: July 2013

Use of scaffolds both as supporting materials at defect site and delivery vehicles for bioactive agents is a commonly employed strategy to aid in tissue repair and regeneration. In this study, fibrous meshes of chitosan were prepared by wet spinning and coated with alginate. BSA as a model protein and gentamicin as a model antibiotic were incorporated into the scaffolds in multiple loading models and their release kinetics were studied. The effects of structural form of scaffold and properties of bioactive agents on release profiles were evaluated. Our results suggest that, designed scaffolds are potential candidates for tissue engineering with the feature of controlled bioactive agent delivery. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 3759–3769, 2013
Multifunctional finishing of cotton fabric based on in situ fabrication of polymer‐hybrid nanoparticles
Authors: Zhang Desuo , Zhang Guangyu , Chen Ling , Liao Yanfen , Chen Yuyue , Lin Hong
Published: July 2013

This article describes a new strategy of fabricating multifunctional textile through in situ synthesis of polymer‐hybrid nanoparticles in the fabric by a one‐step microwave irradiation. The amino‐terminated hyperbranched polymer (HBP‐NH2) was employed as the smart polymer, which not only can entrap silver ions and reduce them for the in situ generation of Ag nanoparticles, but also react with zinc ions to produce ZnO nanoparticles. Therefore, the two kinds of nanoparticles could be in situ fabricated in textile simultaneously under the control of HBP‐NH2. Cotton fabric was chosen for this study. The mechanism of the multifunctional finishing process of cotton fabric was discussed in detail. The treated cotton fabrics were characterized, and the ultraviolet (UV) protective properties and antibacterial activities of them were investigated in comparison with the cotton fabric treated with only one kind of nanoparticle. The results indicated that the nanoparticles were assembled on cotton fibers with size range from 20 to 100 nm. The multifunctional finishing could offer cotton fabric with excellent UV protective property and antibacterial activity simultaneously. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 3778–3784, 2013
Exposed riverine sediments (ERS) in England and Wales: distribution, controls and management
Authors: O'Callaghan Matthew J. , Hannah David M. , Williams Mike , Sadler Jon P.
Published: July 2013

The invertebrates of natural and semi‐natural floodplains are diverse, often rare, and important functionally. Early successional patches formed by flood‐deposited, coarse, exposed riverine sediments (ERS) are an important habitat in these riparian ecosystems.

Extensive channel modifications and engineering works have removed ERS from much of the European river network. This vulnerability, coupled with their role in strengthening biodiversity and associated ecosystem function, makes it important to catalogue remaining ERS distributions and understand controlling factors.

This paper aims to: (1) provide the first systematic, modern assessment of the extent and distribution of ERS in England and Wales; (2) characterize geographical and hydrological features of ERS‐rich systems; and (3) model the physical and artificial factors determining the complexity and abundance of ERS in England and Wales.

River flow regime analysis and generalized linear modelling were combined to identify variables influencing ERS habitat complexity and abundance.

ERS predominates in the north and south west of England and Wales, where headwaters are at higher altitudes and substrates are predominantly glacial, alluvial or sedimentary. Local complexity (average number of individual ERS patches per km) was related to stream power and the potential for sediment transport as reflected by stream slope. ERS habitat area declined with the presence of headwater abstraction, but otherwise ERS was not associated with any identified hydrological regime. However, all rivers were strongly seasonal and characterized by sufficient flashiness to ensure high‐flow events throughout the year.

These results underline the strong natural controls on the distribution and complexity of ERS, but also that habitat provision can be suppressed by human activities, which has implications for conservation practice.

Copyright © 2013 John Wiley & Sons, Ltd.
Extension of the Germinal Center Stage of B Cell Development Promotes Autoantibodies in BXD2 Mice
Authors: Wang John H. , New James S. , Xie Shutao , Yang PingAr , Wu Qi , Li Jun , Luo Bao , Ding Yanna , Druey Kirk M. , Hsu Hui‐Chen , Mountz John D.
Published: July 2013

Objective

Regulator of G protein signaling (RGS) proteins inhibit chemokine signaling by desensitizing G protein–coupled receptor signals. This study was undertaken to determine the mechanisms by which RGS13 promotes the generation of pathogenic autoantibodies in germinal centers (GCs), using BXD2‐Rgs13−/− mice.

Methods

Confocal and light microscopy imaging techniques were used to determine the location of cells that express RGS13 and activation‐induced cytidine deaminase (AID) in the mouse spleen, and the number of plasmablasts. The levels of GC and plasma cell program transcripts in GC B cells were determined by real‐time quantitative polymerase chain reaction (qPCR). Differential interleukin‐17 (IL‐17)–mediated expression of RGS13 in GC versus non‐GC B cells was analyzed using A20 and 70Z/3 B cells.

Results

In the spleens of BXD2 mice, RGS13 was mainly expressed by GC B cells and was stimulated by IL‐17 but not IL‐21. IL‐17 up‐regulated RGS13 in A20 GC cells but not 70Z/3 non‐GC B cells. BXD2‐ Rgs13−/− mice exhibited smaller GCs and lower AID levels, suggesting lower somatic hypermutation and affinity maturation. However, GC B cells from BXD2‐ Rgs13−/− mice showed increased levels of IgMbright plasmablasts, up‐regulation of the genes encoding plasma program, including interferon regulatory factor 4, B lymphocyte–induced maturation protein 1, and X‐box binding protein 1 and the p‐CREB target genes Fosb and Obf1, and down‐regulation of the GC program genes Aid, Pax5, and Bach2 compared to BXD2 mice. BXD2‐Rgs13−/− mice had lower titers of IgG autoantibodies and IgG deposits in the glomeruli, suggesting reduced autoantibody pathogenicity.

Conclusion

RGS13 deficiency is associated with a reduction in GC program genes and the exit of fewer pathogenic IgM plasmablasts in BXD2 mice. Our findings indicate that prolonged GC program, mediated by up‐regulation of RGS13, enhances AID expression and enables the generation of pathogenic autoantibodies in autoreactive GCs.
Reduktion von Pendelschwingungen im Ingenieurbau mittels Füssigkeitstilgersystemen
Authors: Strauss Alfred , Schellander Janez , Reiterer Michael , Wagner Richard , Loiskandl Willibald , Bergmeister Konrad
Published: July 2013

Dynamische Einwirkungen haben auf die Lebensdauer von zahlreichen Strukturen und Systemen einen signifikanten Einfluss. Die Wechselwirkungen zwischen dynamischen Einwirkungen, wie z.B. aus Wind, Fußgängern und Verkehrslasten im Allgemeinen, und Strukturen können die dynamischen Strukturantworten bedeutend erhöhen und die erlaubten Grenzzustände im Betrieb maßgebend überschreiten. Das Ziel dieses Beitrags ist die detaillierte Diskussion der Dämpfungseigenschaften von Tuned Liquid Column Dampers (TLCD) für Rotations‐schwingungen von Pendelsystemen. Insbesondere ist die detaillierte Diskussion und Präsentation der experimentell ermittelten Dämpfung der TLCD in Bezug auf die dynamischen Faktoren eines Pendelsystems von Interesse.

Reduction of pendulum oscillations in engineering by using Tuned Liquid Column Dampers

Dynamic effects have a significant impact on lifetime of structures. The interaction between a structure and several dynamic effects such as wind, pedestrians and traffic loads in general, can lead to a significant increase of the dynamic structural response. The objective of this contribution is the detailed discussion of the damping performance of Tuned Liquid Column Dampers (TLCD) for rotational oscillated pendulum systems. In particular, the goals are the detailed discussion and presentation of the experimentally determined damping performance of TLCD's with respect to the dynamic factors of pendulum systems.
Wärmeübergangswiderstand bei flächigen thermo‐aktiven Bauteilen am Beispiel thermo‐aktiver Abdichtungselemente
Authors: Kürten Sylvia , Mottaghy Darius , Ziegler Martin
Published: July 2013

Die thermische Nutzung des Untergrunds mithilfe von erdberührenden Bauteilen findet in den letzten Jahren immer weitere Verbreitung. Ausführungsbeispiele finden sich z. B. für Energiepfähle, Energieschlitzwände, Energiebodenplatten oder Energietunnel. Am Lehrstuhl für Geotechnik im Bauwesen der RWTH Aachen (GiB) wurden in diesem Zusammenhang thermo‐aktive Abdichtungselemente entwickelt und in ersten großmaßstäblichen Laborversuchen erprobt.

Für eine effiziente Anlagenauslegung ist die wirklichkeitsnahe Beschreibung des Wärmeübergangs zwischen Bauteil und Untergrund von entscheidender Bedeutung. Während für rotationssymmetrische Systeme in der Praxis erprobte Ansätze existieren, fehlen für flächige Bauteile entsprechende Formulierungen. Am GiB wurde daher in Zusammenarbeit mit der Geophysica Beratungsgesellschaft mbH ein Berechnungsmodul für flächige Bauteile entwickelt, welches alle relevanten Wärmeübergangsvorgänge über eine Sternschaltung von Widerständen zusammenfasst. Das Modul wurde als Flächenelement in das Finite‐Differenzen‐Programm Shemat‐Suite implementiert, welches sich bereits für die Simulation von geothermischen Anlagen bewährt hat. Durch diese Kopplung können alle (Strömungs‐)Vorgänge im Untergrund und im geothermischen System abgebildet werden. Die Rechenzeiten sind jedoch im Vergleich zu reinen numerischen Simulationen – bei denen das Bauteil vollständig diskretisiert werden muss – deutlich reduziert.

Thermal resistance for plane thermo‐active geotechnical systems using the example of thermo‐active seal‐panels

The use of geothermal energy with thermo‐active geothermal systems has been constantly increasing over the last years. There are examples for Energy‐Piles, Energy‐Diaphragm‐Walls or Energy‐Slabs documented. The chair of Geotechnical Engineering (RWTH Aachen University) has developed thermo‐active seal panels, which are based on the principle of thermo‐active structures made of concrete. The seal panels were tested in large‐scale laboratory tests showing very satisfying results.

The realistic description of the heat transfer between soil and structural element is paramount for the design of a geothermal plant. Regarding rotationally symmetric systems there are several modeling tools. In contrast, there are no comparable models for plane elements documented. Therefore, the chair of Geotechnical Engineering, in cooperation with Geophysica Beratungsgesellschaft mbH, developed a mathematical model, which includes all important parameters. The different heat transfer processes are summed‐up to a thermal resistance model, which is implemented in a Finite Difference Code (Shemat‐Suite).
Schnittgrößenermittlung und Bemessung von Isolierverglasungen
Authors: Schaller Gerhard
Published: July 2013

Isolierverglasungen bestehen im Regelfall aus zwei oder drei Scheiben Floatglas. In besonderen Fällen, wie beispielsweise zur Absturzsicherung, muss zumindest eine der beiden Scheiben aus Verbundsicherheitsglas hergestellt werden. Bezüglich des Einsatzes der Glasarten wird auf die einschlägige Literatur verwiesen.

Im Folgenden wird die Ermittlung der Schnittgrößen behandelt und eine systematische Vorgehensweise unter Zuhilfenahme des Kraftgrößenverfahrens anhand der tabellierten Hilfswerte beschrieben, sodass anschließend der Spannungs‐ und der Durchbiegungsnachweis – bei einfachen Systemen ohne die Inanspruchnahme spezieller Rechenprogramme, nur mit Verwendung tabellierter Werte – geführt werden können.

Determination of bending moments and dimensioning of insulating glazings

As a rule, insulating glazings consist of two or three panes of float glass. In special cases, such as for fall protection, at least one of the panes must be produced from laminated safety glass. Regarding the different utilisation of the panes, reference is made to the relevant literature.

The following section discuss the determination of bending moments and a systematic approach is described by using the force method based on the tabulated auxiliary values to conduct tension and deflection analysis – for ordinary systems without the use of any special computer programme, but only by using the tabulated values.
Parameter identification of in vivo kinetic models: Limitations and challenges
Authors: Heijnen Joseph J. , Verheijen Peter J. T.
Published: July 2013

Systems metabolic engineering of metabolic networks by genetic techniques requires kinetic equations for each enzyme present. In vitro studies of singular enzymes have limitations for predicting in vivo behavior, and in vivo experiments are constrained to retain viable cells. The estimation of kinetic parameters in vivo is a challenge due to the complexity of the internal cell environment. This concise review analyzes the limitations of in vitro and in vivo approaches, and shows that not all parameters can be determined and that multicollinearity exists. On the other hand, this review also shows that cell metabolism is adequately described with a smaller number of parameters and with approximative or reduced models. A major hurdle is the identification and quantification of allosteric effectors. Despite limitations, in vivo kinetic experiments are adequate in providing a quantitative description of the cell as a system.
Quantitative determination of d‐ and l‐threo enantiomers of methylphenidate in brain tissue by liquid chromatography–mass spectrometry
Authors: Combs Carolyn C. , Hankins Erin L. , Copeland Cara L. , Brown Stacy D. , Pond Brooks B.
Published: July 2013

Methylphenidate, a psychostimulant used for the treatment of attention deficit hyperactivity disorder and narcolepsy, is administered as a 50:50 racemic mixture, despite the fact that d‐methylphenidate has been shown to have greater pharmacologic activity. This paper presents a validated LC‐MS/MS approach to separation and quantification of methylphenidate enantiomers using a vancomycin column and triethylammonium acetate to enhance the chiral separation. The method is applicable to the monitoring of these enantiomers in mouse brain, with a limit of detection of 0.5 ng/mL and a lower limit of quantification of 7.5 ng/mL. Copyright © 2013 John Wiley & Sons, Ltd.
Pharmacokinetic properties of isradipine after single‐dose and multiple‐dose oral administration in Chinese volunteers: a randomized, open‐label, parallel‐group phase I study
Authors: Wang Yanran , Jin Zhaohui , Wang Zhijun , Jiang Xuehua , Wang Ling
Published: July 2013

Isradipine could be used for the treatment of high blood pressure or Parkinsonism, yet the study on pharmacokinetics (PK) of isradipine is lacking in the Chinese population. The current study aims to assess the dose proportionality, pharmacokinetics and gender effect of isradipine following oral single and multiple doses in Chinese subjects. A randomized, open‐label, parallel‐group trial was conducted in 30 healthy Chinese volunteers. Subjects randomly received a single dose of 2.5, 5 or 10 mg, and multiple doses (2.5 mg) of isradipine. Blood samples were collected pre‐dose (0 h) and 0.33, 0.67, 1, 1.5, 2, 3, 4, 6, 9, 12, 24, 36 and 48 h post‐dose. Isradipine was rapidly absorbed with the time to maximum concentration <1.27 h for all dosage groups. The maximum concentrations were 2.46, 5.34, 10.93 and 3.32 ng/mL and area under the concentration–time curve from time zero to the last time point (AUClast) were 7.05, 12.58, 24.68 and 5.31 ng/ml·h for the 2.5, 5 and 10 mg single‐dose and 2.5 mg multiple‐dose groups, respectively. The half‐life ranged from 5.76 to 7.94 h. The maximum concentration and AUC were found to increase linearly and dose‐dependently for isradipine. No statistical gender differences were found. These findings indicated that the pharmacokinetic parameters of isradipine in Chinese population were dose‐proportional and predictable over a range of 2.5–10 mg isradipine oral doses. Copyright © 2013 John Wiley & Sons, Ltd.
Comparison between brain CT and MRI for voxel‐based morphometry of Alzheimer's disease
Authors: Imabayashi Etsuko , Matsuda Hiroshi , Tabira Takeshi , Arima Kunimasa , Araki Nobuo , Ishii Kenji , Yamashita Fumio , Iwatsubo Takeshi ,   Japanese Alzheimer's Disease Neuroimaging Initiative
Published: July 2013

The voxel‐based morphometry (VBM) technique using brain magnetic resonance imaging (MRI) objectively maps gray matter loss on a voxel‐by‐voxel basis after anatomic standardization. In patients with Alzheimer's disease (AD), reductions of gray matter volume, mainly in the medial temporal structures, have been reported; however, inhomogeneity and geometric distortion of the field intensity hampers the reproducibility of MRI. In the present study, we developed a novel computed tomography (CT)‐based VBM method and used this technique to detect volume loss in AD patients as compared with normal controls. The results were compared with MRI‐based VBM using the same subjects. Pittsburgh Compound B (11C‐PIB) positron emission tomography (PET)/CT was performed and two experts in neuro‐nuclear medicine judged whether regional amyloid β load was consistent with a diagnosis of AD. Before the injection of 11C‐PIB, high‐quality CT scans were obtained using the same PET/CT equipment. MRI was performed within a mean interval of 25.1 ± 8.2 days before the PET/CT scan. Using statistical parametric mapping 8 (SPM8), the extracted gray matter images from CT and MRI were spatially normalized using a gray matter template and smoothed using a Gaussian kernel. Group comparisons were performed using SPM8 between five 11C‐PIB‐positive patients with probable AD and seven 11C‐PIB‐negative age‐matched controls with normal cognition. Gray matter volumes in the bilateral medial temporal areas were reduced in the AD group as compared with the cognitively normal group in both CT‐based VBM (in the left; P < 0.0001, cluster size 2776 and in the right; P < 0.0001, cluster size 630) and MRI‐based VBM (in the left; P < 0.0001, cluster size 381 and in the right, P < 0.0001, cluster size 421). This newly developed CT‐based VBM technique can detect significant atrophy in the entorhinal cortex in probable AD patients as previously reported using MRI‐based VBM. However, CT‐VBM was more sensitive and revealed larger areas of significant atrophy than MR‐VBM.
Benefits of Cross‐sector Partnerships in Markets at the Base of the Pyramid
Authors: Schuster Tassilo , Holtbrügge Dirk
Published: July 2013

In this paper we analyze whether cross‐sector partnerships enable companies to respond to the specific conditions at the base of the pyramid (BOP). We develop three hypotheses in which we argue how cross‐sector partnerships support companies to face unfamiliar conditions in these markets. We test the developed hypotheses against the data of 103 companies operating in BOP‐markets. The results show that companies rely on organizations from the civil society sector in order to meet customer needs. Partners from the business sector are supportive when responding to restrictive market conditions. Institutional partnerships should be considered when companies aim at responding to the regulatory environment. We outline theoretical and managerial implications and reflect some limitations of the study. Copyright © 2013 John Wiley & Sons, Ltd and ERP Environment.
The Road to Sustainability: Exploring the Process of Corporate Environmental Strategy Over Time
Authors: Papagiannakis Giorgos , Voudouris Irini , Lioukas Spyros
Published: July 2013

We explore corporate environmental strategy over time, investigating the patterns of evolving environmental investment decisions. Longitudinal case studies provide evidence that environmental strategy evolves through a feedback process, wherein outcomes of earlier decisions have an impact on subsequent decisions. Specifically, positive feedback from outcomes like innovation triggers higher goals, enhancing the undertaking of advanced investments, whereas negative feedback from outcomes, such as increased costs, decelerates the adoption of further investments. The study points to an emergent view of environmental strategy, where capabilities that are gradually developed in concomitance with environmental outcomes lead to an upgrading of environmental goals, thus triggering the feedback process. The process eventually culminates in higher levels of environmental conduct, being more and more integrated with business strategy and competitive advantage. Managers' values and environmental attitudes influence environmental decisions and actions, affecting the acceleration of the feedback process and the magnitude of responses. Managerial implications are discussed. Copyright © 2013 John Wiley & Sons, Ltd and ERP Environment
Environmental, Sustainable Behaviors and Innovation of Firms During the Financial Crisis
Authors: Kim Yunhee
Published: July 2013

In this paper, we analyze the relation between sustainable and environmental behaviors and performance and innovation. Altogether, 1032 observations are divided into specific groups according to the Carbon Disclosure Project (CDP) Global 500 report and the Dow Jones Sustainability Index (DJSI) for 2008 and 2009. Based on legitimation theory and stakeholder theory, we regard the voluntary activities of firms as having long‐run effective characteristics that can be applied to industry in general. The environmental behavior of firms is represented by CDP activity, while the DJSI represents their sustainable activities. Based on the assumption that corporate environmentalism is a bilateral agreement between policymakers and firms, we answer four specific research questions. (i) What is the relation between voluntary activities and performance of firms? (ii) Do firms' voluntary activities in environmental and sustainable implementations induce innovation? (iii) How does the nature of innovation depend on voluntary type of the firms? (iv) What is the link between firm characteristics and innovation according to voluntary types? From the presented empirical analysis, we find positive relations between corporate environmentalism and innovative activities. We then classify environmental and sustainable issues and propose an empirical model of the links between environmental and sustainable behaviors and innovation activities. Copyright © 2013 John Wiley & Sons, Ltd and ERP Environment.
Self‐Assembled Poly(N‐methylaniline)–Lignosulfonate Spheres: From Silver‐Ion Adsorbent to Antimicrobial Material
Authors: Lü Qiu‐Feng , Zhang Jia‐Yin , Yang Jun , He Zhi‐Wei , Fang Chang‐Qing , Lin Qilang
Published: July 2013

Self‐assembled poly(N‐methylaniline)–lignosulfonate (PNMA–LS) composite spheres with reactive silver‐ion adsorbability were prepared from N‐methylaniline by using lignosulfonate (LS) as a dispersant. The results show that the PNMA–LS composite consisted of spheres with good size distribution and an average diameter of 1.03–1.27 μm, and the spheres were assembled by their final nanofibers with an average diameter of 19–34 nm. The PNMA–LS composite spheres exhibit excellent silver‐ion adsorption; the maximum adsorption capacity of silver ions is up to 2.16 g g−1 at an adsorption temperature of 308 K. TEM and wide‐angle X‐ray results of the PNMA–LS composite spheres after absorption of silver ions show that silver ions are reduced to silver nanoparticles with a mean diameter of about 11.2 nm through a redox reaction between the PNMA–LS composite and the silver ions. The main adsorption mechanism between the PNMA–LS composite and the silver ions is chelation and redox adsorption. In particular, a ternary PNMA–LS–Ag composite achieved by using the reducing reaction between PNMA–LS composite spheres and silver ions can be used as an antibacterial material with high bactericidal rate of 99.95 and 99.99 % for Escherichia coli and Staphylococcus aureus cells, respectively.
Bis(sulfonylimide)ruthenium(VI) Porphyrins: X‐ray Crystal Structure and Mechanism of CH Bond Amination by Density Functional Theory Calculations
Authors: Guo Zhen , Guan Xiangguo , Huang Jie‐Sheng , Tsui Wai‐Man , Lin Zhenyang , Che Chi‐Ming
Published: July 2013

The X‐ray crystal structure of [RuVI(NMs)2(tmp)] (Ms=SO2‐ p‐MeOC6H4; tmp=5,10,15,20‐tetramesitylporphyrinato(2−)), a metal sulfonylimide complex that can undergo alkene aziridination and CH bond amination reactions, shows a RuN distance of 1.79(3) Å and Ru‐N‐S angle of 162.5(3)°. Density functional theory (DFT) calculations on the electronic structures of [RuVI(NMs)2(tmp)] and model complex [RuVI(NMs)2(por0)] (por0=unsubstituted porphyrinato(2−)) using the M06L functional gave results in agreement with experimental observations. For the amination of ethylbenzene by the singlet ground state of [RuVI(NMs)2(por0)], DFT calculations using the M06L functional revealed an effectively concerted pathway involving rate‐limiting hydrogen atom abstraction without a distinct radical rebound step. The substituent effect on the amination reactivity of ethylbenzene by [RuVI(NX)2(por0)] (X=SO2‐p‐YC6H4 with Y=MeO, Me, H, Cl, NO2) was examined. Electron‐withdrawing Y groups lower the energy of the LUMOs of [RuVI(NX)2(por0)], thus facilitating their interaction with the low‐lying HOMO of the ethylbenzene CH bond and hence increasing the reactivity of [RuVI(NX)2(por0)]. DFT calculations on the amination/aziridination reactions of [RuVI(NSO2C6H5)2(por0)] with pent‐4‐enal, an aldehyde substrate bearing acyl, homoallylic, and allylic CH bonds and a CC bond, revealed a lower reaction barrier for the amination of the acyl CH bond than for both the amination of the other CH bonds and aziridination of the CC bond in this substrate.
ChemInform Abstract: The Interpenetrated Three‐Dimensional Framework of a New Mixed Lithium/Ammonium Perchlorate Growth in a Gel Medium.
Authors: Walha Siwar , Bouchaala Mahmoud , Ben Salah Abdelhamid
Published: July 2013

Li9.41(NH4)0.59ClO4 is synthesized by slow diffusion of aqueous lithium oxalate and ammonium oxalate dissolved in perchloric acid through agar agar gel at ambient temperature.
ChemInform Abstract: Exploring the Color of Transition Metal Ions in Irregular Coordination Geometries: New Colored Inorganic Oxides Based on the Spiroffite Structure, Zn2‐xMxTe3O8 (M: Co, Ni, Cu).
Authors: Tamilarasan S. , Sarma Debajit , Bhattacharjee S. , Waghmare U. V. , Natarajan S. , Gopalakrishnan J.
Published: July 2013

A series of Zn2‐xMxTe3O8 compounds (M: Co, Ni, Cu; 0 < x ≤ 1) is prepared by solid state reaction of stoichiometric mixtures of ZnO, TeO2, and MC2O2·2H2O (M: Co, Ni) or CuO (620 °C, 12 h).
ChemInform Abstract: Photoluminescent Cuprous Iodide Polymorphs Generated via in situ Organic Reactions.
Authors: Li Shi‐Li , Zhang Rong , Hou Juan‐Juan , Zhang Xian‐Ming
Published: July 2013

Colorless needle‐like crystals of α‐(NMe4)[Cu2I3] are prepared by solvothermal reaction of CuI, hexamethylenetetramine, and HI in MeOH in a molar ratio of 5:2:7:150 (autoclave, 150 °C, 120 h; 61% yield).
ChemInform Abstract: A Tunable Class of Chiral Cp Ligands for Enantioselective Rhodium(III)‐Catalyzed C—H Allylations of Benzamides.
Authors: Ye Baihua , Cramer Nicolai
Published: July 2013

A series of sterically tunable Rh(I)‐precatalysts (I) is prepared and tested in the title reaction.
ChemInform Abstract: Synthesis of Imides and Benzoylureas by Direct Oxidation of N‐Methylenes of Amides and Benzylureas.
Authors: Huang Wenhua , Xu Mei‐Li
Published: July 2013

The main features of this new methodology are a cheap and bench‐stable oxidant, water as solvent and mild reaction conditions.
ChemInform Abstract: Ionic Liquid‐Catalyzed Internal Redox Esterification Reaction.
Authors: Yu Yinyin , Hua Li , Zhu Wenwen , Shi Yu , Cao Ting , Qiao Yunxiang , Hou Zhenshan
Published: July 2013

Several ionic liquids are tested as solvents and catalysts for the internal redox esterification reaction of α,β‐unsaturated aldehydes and aliphatic alcohols.
ChemInform Abstract: NIS‐Mediated Electrophilic Cyclization of 3‐Silyloxy‐1,n‐enynes.
Authors: Huber Florian , Kirsch Stefan F.
Published: July 2013

This method yields polyfunctional cyclopentane derivatives with endo‐ or exocyclic iodinated tri‐ or tetrasubstituted double bonds.
ChemInform Abstract: Chiral Aryl Iodide Catalysts for the Enantioselective Synthesis of para‐Quinols.
Authors: Volp Kelly A. , Harned Andrew M.
Published: July 2013

The design of a chiral aryl iodine catalyst is supported by the computational studies.
ChemInform Abstract: A Green Approach to the Synthesis of Chalcones via Claisen—Schmidt Condensation Reaction Using Cesium Salts of 12‐Tungstophosphoric Acid as a Reusable Nanocatalyst.
Authors: Rafiee Ezzat , Rahimi Farzaneh
Published: July 2013

Cesium salts of 12‐tungstophosphoric acid are shown to be efficient nanocatalysts for the Claisen—Schmidt condensation.
ChemInform Abstract: Sulfonic Acid Resin—Catalyzed Oxidation of Aldehydes to Carboxylic Acids by Hydrogen Peroxide.
Authors: Yang Xiaomei , Tang Si , Lu Tianliang , Chen Chen , Zhou Lipeng , Su Yunlai , Xu Jie
Published: July 2013

Title oxidation is accomplished using Amberlyst as recyclable catalyst.
ChemInform Abstract: Synthesis of 1‐Aroyl(1‐arylsulfonyl)‐4‐bis(trifluoromethyl)alkyl Semicarbazides as Potential Physiologically Active Compounds.
Authors: Luzina Elena L. , Popov Anatoliy V.
Published: July 2013

Isocyanate (I) reacts with hydrazides of type (II), (IV), or (VI) to give the corresponding potentially biologically active substituted semicarbazides of type (III), (V), or (VII).
ChemInform Abstract: Ruthenium‐Catalyzed Intramolecular Selective Halogenation of O‐Methylbenzohydroximoyl Halides: A New Route to Halogenated Aromatic Nitriles.
Authors: Chinnagolla Ravi Kiran , Pimparkar Sandeep , Jeganmohan Masilamani
Published: July 2013

The reaction is conducted under base‐ and oxidant‐free conditions.
ChemInform Abstract: Organocatalytic Enantioselective Transient Enolate Protonation in Conjugate Addition of Thioacetic Acid to α‐Substituted N‐Acryloyloxazolidinones.
Authors: Unhale Rajshekhar A. , Rana Nirmal K. , Singh Vinod K.
Published: July 2013

CTU is found to be the optimal catalyst for the process which affords biologically interesting sulfur compounds.
ChemInform Abstract: Indium Triflate‐Catalyzed Diels—Alder Reactions of Isochromenylium Cations with Enones.
Authors: Selvi Thangavel , Srinivasan Kannupal
Published: July 2013

In the presence of indium triflate, o‐alkynylbenzaldehydes form isochromenylium cations which react with enones such as chalcones or diarylideneacetones to give 1,2‐dihydronaphthalenes.
ChemInform Abstract: Recyclization in the Series of Spiro[indole‐3,5′‐pyrimido[4,5‐b]quinoline]‐2,2′,4′‐triones Prepared by a Three‐Component Reaction of Isatins with (Thio)barbituric Acids and Electron‐Rich Anilines.
Authors: Iaroshenko Viktor O. , Dudkin Sergii , Sosnovskikh Vyacheslav Ya. , Villinger Alexander , Langer Peter
Published: July 2013

The title process which generally yields spirocyclic compounds of type (IV) is investigated.
ChemInform Abstract: Facile Strategy for the Synthesis of Furans Utilizing Silver(I)‐Promoted Addition/Oxidative Cyclization of 1,3‐Dicarbonyl Compounds and Alkynoates.
Authors: Liu Wei‐Bing , Chen Cui , Zhang Qing
Published: July 2013

The title synthesis provides a new way to form C—O bond.
ChemInform Abstract: Synthesis of N‐Vinylcarbazoles via Dehydrogenative Coupling of N—H Carbazoles with Alkenes under Palladium Catalysis.
Authors: Takeda Daisuke , Hirano Koji , Satoh Tetsuya , Miura Masahiro
Published: July 2013

The synthesis of N‐vinylcarbazoles is achieved by the Pd‐catalyzed aza‐Wacker reaction of N—H carbazoles with styrenes.
ChemInform Abstract: Indium‐Catalyzed Annulation of 3‐Aryl‐ and 3‐Heteroarylindoles with Propargyl Ethers: Synthesis and Photoluminescent Properties of Aryl‐ and Heteroaryl[c]carbazoles.
Authors: Nagase Yuta , Shirai Hiroyuki , Kaneko Masayoshi , Shirakawa Eiji , Tsuchimoto Teruhisa
Published: July 2013

A new method for the synthesis of title compounds such as (III), (V), (VII), (X) and (XII) via a two C—C bond‐forming cascade of 3‐arylindoles with propargyl ethers is reported.
ChemInform Abstract: Trichloroisocyanuric Acid‐Catalyzed One‐Pot Synthesis of 2,4,5‐Trisubstituted Imidazoles.
Authors: Hojati Seyedeh Fatemeh , Nezhadhoseiny Seyede Atefe , Beykzadeh Zahra
Published: July 2013

Optimum reaction conditions are examined for the three‐component one‐pot reaction of benzil (I) and aromatic aldehydes (II) with ammonium acetate giving the title compounds (III) in high yields.
ChemInform Abstract: Control of Diastereoselectivity for Iridium‐Catalyzed Allylation of a Prochiral Nucleophile with a Phosphate Counterion.
Authors: Chen Wenyong , Hartwig John F.
Published: July 2013

A wide range of enantioenriched allylated azlactones containing adjacent tertiary and quaternary carbon centers is prepared with high yields and dia‐ and enantioselectivities.
ChemInform Abstract: Iron‐Catalyzed Synthesis of 2‐Vinylquinolines via sp3 C—H Functionalization and Subsequent C—N Cleavage.
Authors: Li Yunfeng , Guo Fengfeng , Zha Zhenggen , Wang Zhiyong
Published: July 2013

A new, simple, and efficient method for the synthesis of 2‐vinylquinolines is developed.
ChemInform Abstract: A Practical One‐Pot Procedure for the Synthesis of N—H Isoquinolones.
Authors: Lu Shaonan , Lin Yingfu , Zhong Hongban , Zhao Kang , Huang Jianhui
Published: July 2013

An efficient approach to the title skeleton is achieved through Pd‐catalyzed reaction of N‐alkoxybenzamides with alkynes followed by NaH‐mediated N—O bond cleavage.
ChemInform Abstract: 2,5‐Bis‐(sulfonyl)pyrazines as Unprecedented Building Blocks and Their SNAr Reactions.
Authors: Li Jie Jack , Meng Wei , Wu Shung , Wu Yong‐Jin , Guernon Jason , Allen Martin P. , Miller Michael M. , Cheng Peter T. , Chen Bang‐chi
Published: July 2013

The new starting materials (I) are prepared and subjected to various reactions with nucleophiles.
ChemInform Abstract: Synthesis of Precursors of 4‐Phosphino‐1H‐pyrrole‐3‐carbaldehyde Derivatives.
Authors: Smaliy Radomyr , Chaykovskaya Aleksandra A. , Shtil Nataliya A. , Savateev Aleksandr S. , Kostyuk Aleksandr N.
Published: July 2013

Two pathways for the synthesis of 4‐(diphenylphosphoryl)‐1H‐pyrrole‐3‐carbaldehyde (III) are developed.
ChemInform Abstract: Aurones and Isoaurones from the Flowers of Rosa damascena and Their Biological Activities.
Authors: Gao Xue‐Mei , Yang Li‐Ying , Huang Xiang‐Zhong , Shu Li‐Dan , Shen Yan‐Qiong , Hu Qiu‐Fen , Chen Zhang‐Yu
Published: July 2013

New aurone (I) and new isoaurone (II), damaurones A and B, resp., (II) are isolated from the title rose together with five known compounds.
ChemInform Abstract: Eu2+‐Doped M2SiO4 (M: Ca, Ba) Phosphors Prepared by a Rapid Microwave‐Assisted Sol—Gel Method: Phase Formation and Optical Properties.
Authors: Birkel Alexander , DeCino Nicholas A. , George Nathan C. , Hazelton Katherine A. , Hong Byung‐Chul , Seshadri Ram
Published: July 2013

The green‐emitting title phosphors a prepared by an optimized fast and energy‐efficient citrate based sol—gel reaction with subsequent combustion in a domestic microwave oven leading to high quality materials in less than 25 min of final heating time.
ChemInform Abstract: Synthesis of Ultrasmall and Magic‐Sized CdSe Nanocrystals.
Authors: Harrell Sarah M. , McBride James R. , Rosenthal Sandra J.
Published: July 2013

Review: 77 refs.
ChemInform Abstract: Solid‐State NMR Spectroscopy of Quadrupolar Nuclei in Inorganic Chemistry
Authors: Braeuniger Thomas , Jansen Martin
Published: July 2013

Review: exemplified by 14N, 11B, 27Al, and 45Sc NMR; 222 refs.
ChemInform Abstract: Jahn—Teller Distortions in Transition Metal Compounds, and Their Importance in Functional Molecular and Inorganic Materials
Authors: Halcrow Malcolm A.
Published: July 2013

Review: 82 refs.
ChemInform Abstract: Catalytic Asymmetric Synthesis of Allylic Alcohols and Derivatives and Their Applications in Organic Synthesis
Authors: Lumbroso Alexandre , Cooke Michael L. , Breit Bernhard
Published: July 2013

Review: ca. 570 refs.
ChemInform Abstract: Direct Trifluoromethylation of the C—H Bond
Authors: Liu Hui , Gu Zhenhua , Jiang Xuefeng
Published: July 2013

Review: 31 refs.
ChemInform Abstract: Catalysis with N‐Heterocyclic Carbenes under Oxidative Conditions
Authors: De Sarkar Suman , Biswas Anup , Samanta Ramesh C. , Studer Armido
Published: July 2013

Review: 37 refs.
ChemInform Abstract: Metal—Organic Frameworks as Catalysts: The Role of Metal Active Sites
Authors: Valvekens Pieterjan , Vermoortele Frederik , De Vos Dirk
Published: July 2013

Review: 91 refs.
ChemInform Abstract: Cp*Rh‐Catalyzed C—H Activations. Versatile Dehydrogenative Cross‐Couplings of Csp2 C—H Positions with Olefins, Alkynes, and Arenes
Authors: Patureau Frederic W. , Wencel‐Delord Joanna , Glorius Frank
Published: July 2013

Review: 153 refs.
ChemInform Abstract: Boron Medicinal Chemistry and Synthetic Aspects
Authors: Ahmet Jonathan T. , Spencer John
Published: July 2013

Review: 18 refs.
ChemInform Abstract: Structure, Shape, MS Spectral Data and Biological Activities of Fullerenes
Authors: Vilas Antre Rishikesh , Kumar A. Cendil , Divakar Goli , Sakharam Andhale Ganesh , Joseph Jomon
Published: July 2013

Review: 91 refs.
ChemInform Abstract: Nonlinear Phenomena During the Oxidation and Bromination of Pyrocatechol
Authors: Amemiya Takashi , Wang Jichang
Published: July 2013

Review: 53 refs.
ChemInform Abstract: Transition State Geometry in Radical Hydrogen Atom Abstraction
Authors: Denisov E. T. , Shestakov A. F. , Denisova T. G.
Published: July 2013

Review: 78 refs.
ChemInform Abstract: Simulating the Postprandial Stomach: Biorelevant Test Methods for the Estimation of Intragastric Drug Dissolution
Authors: Koziolek Mirko , Garbacz Grzegorz , Neumann Marco , Weitschies Werner
Published: July 2013

Review: 73 refs.
ChemInform Abstract: Hirsutellones and Beyond: Figuring Out the Biological and Synthetic Logics Toward Chemical Complexity in Fungal PKS‐NRPS Compounds
Authors: Li Xu‐Wen , Ear Alexandre , Nay Bastien
Published: July 2013

Review: 115 refs.
ChemInform Abstract: Fabrication of Metal Nanoparticles in Metal—Organic Frameworks
Authors: Moon Hoi Ri , Lim Dae‐Woon , Suh Myunghyun Paik
Published: July 2013

Review: ca. 70 refs.
ChemInform Abstract: Orthogonalization Methods in QSPR — QSAR Studies
Authors: Duchowicz Pablo R. , Fernandez Francisco M. , Castro Eduardo A.
Published: July 2013

Review: 47 refs.
ChemInform Abstract: Solid‐State Track Detectors in Radiometry, Isotope Analysis, and Radiography
Authors: Nikolaev V. A.
Published: July 2013

Review: 110 refs.
Visual pigments and opsin expression in the juveniles of three species of fish (rainbow trout, zebrafish, and killifish) following prolonged exposure to thyroid hormone or retinoic acid
Authors: Suliman Tarek , Novales Flamarique Iñigo
Published: July 2013

Thyroid hormone (TH) and retinoic acid (RA) are powerful modulators of photoreceptor differentiation during vertebrate retinal development. In the embryos and young juveniles of salmonid fishes and rodents, TH induces switches in opsin expression within individual cones, a phenomenon that also occurs in adult rodents following prolonged (12 week) hypothyroidism. Whether changes in TH levels also modulate opsin expression in the differentiated retina of fish is unknown. Like TH, RA is essential for retinal development, but its role in inducing opsin switches, if any, has not been studied. Here we investigate the action of TH and RA on single‐cone opsin expression in juvenile rainbow trout, zebrafish, and killifish and on the absorbance of visual pigments in rainbow trout and zebrafish. Prolonged TH exposure increased the wavelength of maximum absorbance (λmax) of the rod and the medium (M, green) and long (L, red) wavelength visual pigments in all fish species examined. However, unlike the opsin switch that occurred following TH exposure in the single cones of small juvenile rainbow trout (alevin), opsin expression in large juvenile rainbow trout (smolt), zebrafish, or killifish remained unchanged. RA did not induce any opsin switches or change the visual pigment absorbance of photoreceptors. Neither ligand altered cone photoreceptor densities. We conclude that RA has no effect on opsin expression or visual pigment properties in the differentiated retina of these fishes. In contrast, TH affected both single‐cone opsin expression and visual pigment absorbance in the rainbow trout alevin but only visual pigment absorbance in the smolt and in zebrafish. The latter results could be explained by a combination of opsin switches and chromophore shifts from vitamin A1 to vitamin A2. J. Comp. Neurol. 522:98–117, 2014. © 2013 Wiley Periodicals, Inc.
Decay and Scattering of Small Solutions of Pure Power NLS in ℝ with p > 3 and with a Potential
Authors: Cuccagna Scipio , Visciglia Nicola , Georgiev Vladimir
Published: July 2013

We prove decay and scattering of solutions of the nonlinear Schrödinger equation (NLS) in ℝ with pure power nonlinearity with exponent 3 < p < 5 when the initial datum is small in Σ (bounded energy and variance) in the presence of a linear inhomogeneity represented by a linear potential that is a real‐valued Schwarz function. We assume absence of discrete modes. The proof is analogous to the one for the translation‐invariant equation. In particular, we find appropriate operators commuting with the linearization. © 2014 Wiley Periodicals, Inc.
Trimethylation and Differential Mobility Spectroscopy in Quantitative Peptide Analysis: Increasing Selectivity and Sensitivity through Ion/Molecule Chemistry
Authors: Blagojevic Voislav , Bohme Diethard K.
Published: July 2013

Isotopic labeling of peptides by trimethylation creates a charged quaternary amine group on the peptide that provides clear differentiation from unlabeled protonated peptides and protonated or sodiated chemical background. Differential mobility spectrometry, with its use of a chemical modifier, allows otherwise undesirable ion/molecule reactions in the mobility cell to increase selectivity and sensitivity of quantitative peptide analysis. A high proton affinity modifier selectively removes protonated and sodiated interference and background ions by proton and sodium transfer, while leaving the trimethylated ions with their quaternary amine groups unchanged.
DFT Computational Design of a Ligand‐Driven Light‐Induced Mechanism for Spin‐State Switching
Authors: Starikova Alyona A. , Minyaev Ruslan M. , Starikov Andrey G. , Minkin Vladimir I.
Published: July 2013

A new ligand‐driven light‐induced spin‐state switching mechanism has been designed based on B3LYP*/6‐311++G(d,p) DFT calculations of a series of CoII, NiII, and CuII complexes with photochromic 2H‐chromene (2H‐1‐benzopyran) ligands 4–8 functionalized with N donor groups. The photoinduced electrocyclic rearrangements of the bis‐chelate four‐coordinate NiII complexes with the ring‐closed forms of the ligands, all with high‐spin ground electronic states, are predicted to lead to the formation of a mixture of approximately equal amounts of the diamagnetic square‐planar and paramagnetic pseudo‐tetrahedral isomers of these complexes containing ring‐opened o‐quinonoid forms of the ligands. Of the CoII complexes, only that with the 2H‐chromen‐8‐amine ligand 4 exhibits the properties required for manifestation of the photoinitiated spin‐state switching. No local minima corresponding to four‐coordinate copper complexes with ring‐closed isomers of the functionalized 2H‐chromenes were located on the respective potential energy surfaces. In their ring‐closed forms, 2H‐chromenes react with CuII ions to give two‐coordinate CuI complexes, whereas ring‐opened o‐quinonoid isomers form four‐coordinate bis‐chelate CuII complexes. In the NiII complexes with isomeric forms of 2H‐pyrano[3,2‐h]quinoline ligand 8, the counterions Cl– and even BF4– enter into the coordination sphere of the central atom to form stable six‐coordinate metal complexes with high‐spin ground states. The predicted capacity of the NiII complexes for light‐induced spin‐state switching is retained with the bulkier BPh4– counterion. The low‐spin state of the ion‐pair formed by the complex with the ring‐opened form of ligand 8 is 10.5 kcal mol–1 more energetically favorable than the high‐spin form.