bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of Dy3+‐doping on Electrochemical Properties of LiFePO4/C Cathode for Lithium‐Ion Batteries
Authors: Göktepe Hüseyin
Published: October 2012

Dy doping and carbon coating are adopted to synthesize a LiFePO4 cathode material in a simple solution environment. The samples were characterized by X‐ray diffraction (XRD) and scanning electron microscopy (SEM). Their electrochemical properties were investigated by cyclic voltammetry (CV) and galvanostatic charge‐discharge tests. An initial discharge capacity of 153 mAh/g was achieved for the LiDy0.02Fe0.98PO4/C composite cathode with a rate of 0.1 C. In addition the electronic conductivity of Dy doped LiFePO4/C was enhanced to 1.9 × 10−2 Scm−1. The results suggest that the improvement of the electrochemical properties are attributed to the dysprosium doping and carbon coating which facilitates the phase transformation between triphylite and heterosite during cycling. XRD data indicate that doping did not destroy the lattice structure of LiFePO4. To evaluate the effect of Dy substitution, cyclic voltammetry was used at room temperature. prepared. From Cv measurement a more symmetric curve with smaller interval between the cathodic and anodic peak current was obtained by Dy substitution. This denoted a decreasing of polarization with Dy substitution, which illustrated an enhancement of electrochemical performances.
Synthesis, Spectroscopic, and Dyeing Properties of New Azo and Bisazo Dyes Derived from 5‐Pyrazolones
Authors: Bagdatli Emine , Ocal Nuket
Published: October 2012

This study is in continuation of our work related to 5‐pyrazolones aimed at synthesizing new heterocycles with dyeing and anticipated biological properties. Compounds 1 and 2; 1‐methyl‐ or 1‐(2,4‐dimethylphenyl)‐3‐phenyl‐1H‐pyrazol‐5(4H)‐one, 3; 1‐methyl‐5‐oxo‐3‐phenyl‐4,5‐dihydro‐1H‐pyrazole‐4‐carbaldehyde and 4; 2‐(1‐methyl‐5‐oxo‐3‐phenyl‐1H‐pyrazol‐4(5H)‐ylidene)‐3‐phenylthiazolidin‐5‐one were prepared and subjected to diazotation with aromatic amines and diamines. New azo (1a–c, 2a, b, 3a, b, 4a, c) and bisazo dyes (2c, d, 4b) were obtained, and their structures were confirmed by spectroscopic and analytical methods. In addition, UV–vis measurements, dyeing performance, and fastness tests were carried out for all compounds.
Synthesis and Antimicrobial Activity of 4‐(10H‐Phenothiazin‐2‐yl)‐pyrimidin‐2(1H)‐one/thione Derivatives
Authors: Bansode Tanaji N. , Meshram Gangadhar A.
Published: October 2012

A series of chalcones 3a, 3b, 3c, 3d containing phenothiazine nucleus were prepared by Claisen–Schmidt condensation. The chalcones on treatment with urea, thiourea, phenyl urea, and phenyl thiourea in alcoholic KOH yielded compounds 4a, 4b, 4c, 4d, 4e, 4f, 4g, 4h, 4i, 4j, 4k, 4l, 4m, 4n, 4o, 4p, and the structures of these compounds were confirmed by spectral and elemental analyses. The newly synthesized compounds were evaluated for antimicrobial activity.
Structural Transformation of Methoxy‐Substituted Benzo[de]benzo[4,5]imidazo[2,1‐a]isoquinolin‐7‐ones
Authors: He Liang , Jian Wei , Chen Meifen , Jin Kun , Liu Jihong , Luo Limei , Zhao Defeng
Published: October 2012

Structural transformation of two methoxy derivatives of benzo[de]benzo[4,5]imidazo[2,1‐a]‐isoquinolin‐7‐one were determined via spectroscopic analysis. The transformation mechanism was proposed as the breakage and reformation of the lactam bond.
Novel Synthesis of Oxothiazolidine Derivatives
Authors: Hassan Alaa A. , Ibrahim Yusria R. , El‐Sheref Essmat M. , Brown Alan B.
Published: October 2012

(Z)‐Methyl 2‐[3‐(arylideneamino)‐2‐(arylidenehydrazono)‐4‐oxothiazolidin‐5‐ylidene]acetate prepared during the reaction between thiocarbonohydrazides and dimethyl acetylene dicarboxylate. Rational for there conversations involving the nucleophilic addition on C/C triple bond of dimethyl acetylenedicarboxylate are presented.
Synthesis of Chiral Benzimidazoles as Acylating Agents for Kinetic Resolution of Racemic α‐Amino Esters
Authors: Xu Hao , Tian Hua , Zheng Liangyu , Liu Qingwen , Wang Li , Zhang Suoqin
Published: October 2012

A series of novel chiral 1‐benzoyl‐2‐(α‐N‐substituted aminoethyl)benzimidazoles are synthesized with the improved method in high yields (72–84%) and developed as nonenzymatic acylating agents for kinetic resolution of racemic α‐amino esters. The process exhibits high enantioselectivity (ee up to 94%) for α‐amino esters under mild reaction conditions.
Solvent‐Free One Pot Synthesis of 2‐aryl/Heteroarylbenzothiazoles Using Hypervalent Iodine (III) Reagents
Authors: Kumar Parvin , Meenakshi  , Kumar Sunil , Kumar Ashwani , Hussain Khalid , Kumar Suresh
Published: October 2012

In this article, an efficient, environmentally benign, one‐pot and simple synthesis of 2‐aryl/heteroarylbenzothiazoles by the reaction of 2‐aminothiophenol and aryl/heteroaryl aldehydes mediated by hypervalent iodine (III) reagents under solvent‐free condition at room temperature is demonstrated. All the reactions were carried out by grinding the reactants (2‐aminothiophenol and aryl/heteroaryl aldehydes) with hypervalent iodine (III) reagents in a mortar with pestle. Phenyliodine bistrifluoroacetate act as an efficient oxidizing reagent in comparison to iodobenzene diacetate in term of reaction time but yields are comparative. The advantages of this protocol are the one‐step procedure, mild reaction conditions, high yields of the products, and no side reactions.
Cerous Methanesulfonate Catalyzed Facile Synthesis of 2‐Substituted‐2,3‐dihydro‐4(1h)‐quinazolinones by Grinding Technique
Authors: Wang Min , Gao Jingjing , Song Zhiguo , Wang Lei
Published: October 2012

2‐Substituted‐2,3‐dihydro‐4(1H)‐quinazolinones were synthesized in high to excellent yields through direct cyclocondensation of 2‐anthranilamide with aldehydes or ketones in the presence of a recyclable cerous methanesulfonate by grinding technique under aqueous conditions.
Synthesis and Antimicrobial Evaluation of New Monocyclic β‐Lactams
Authors: Pagadala Ramakanth , Meshram Jyotsna S. , Chopde Himani N. , Jetti Venkateshwarlu , Chidurala Praveen , Kusampally Uppalaiah
Published: October 2012

A simple, practical, and efficient approach to synthesize new series of 2‐(3‐(2,4‐dichlorophenoxy)‐2‐(4‐(dimethylamino)phenyl)‐4‐oxoazetidin‐1‐ylamino)‐N‐arylacetamide by Staudinger [2 + 2] cycloaddition reaction. The titled compounds were evaluated for their antibacterial and antifungal activity against eight microorganisms. All the newly synthesized compounds are characterized by IR, 1H‐NMR, and mass spectroscopic data.
Structural Characterization of a Phenoxazine Analog Formed as a By‐product of the Synthesis of a 3‐Amino‐N,N‐dimethylsalicylamide
Authors: Zhong Wendy , Yang Jiong , Hilton Bruce D. , Martin Gary E. , Yin Jianguo , Muppalla Kiran , Tong Weidong , Fu Xiaoyong
Published: October 2012

A highly colored impurity formed at low levels during the preparation of 3‐amino N,N‐dimethyl salicylamide was isolated and identified as 2‐amino‐N,N,N′,N′‐tetramethyl‐3‐oxo‐3H‐phenoxazin‐4,6‐dicarboxamide using mass spectrometry and two‐dimensional NMR methods that included long‐range 1H‐15N heteronuclear chemical shift correlation data to assemble the proton‐deficient “right‐half” of the 2‐aminophenoxazin‐3‐one nucleus. The structure was independently confirmed using computer‐assisted structure elucidation methods and by synthesis.
Study of catalase adsorption on two mixed‐mode ligands and the mechanism involved therein
Authors: Shiva Ranjini S. , Vijayalakshmi M. A.
Published: October 2012

Mixed‐mode chromatography sorbents n‐hexylamine HyperCelTM (HEA) and phenylpropylamine HyperCelTM (PPA) were evaluated for the study of adsorption of catalase from two different sources. Various parameters such as buffer composition, ionic strength and pH were investigated to study the mechanism of interaction of commercially available pre‐purified catalase from Bovine liver, purified catalase from black gram (Vigna mungo) and crude extract of black gram containing catalase with these mixed‐mode ligands. A simple and economical screening protocol for identifying optimal buffer conditions for adsorption and desorption of catalase was established with micro volumes of the sorbent in batch mode. With HEA HyperCel, it was observed that pre‐purified catalase from both bovine liver and black gram was completely retained at pH 7.0, irrespective of the presence or absence of NaCl in the adsorption buffer, whereas the catalase from crude extract of black gram was completely retained only in the presence of 0.2 M salt in the adsorption buffer. The elution of catalase from both the sources was accomplished by lowering the pH to 4.5 in absence of salt. In case of PPA HyperCel, catalase from both the sources was very strongly adsorbed under different buffer conditions studied, and elution did not yield a significant catalase activity. From the screening experiments, it could be concluded that the interaction of catalase with HEA HyperCel could be dominated by hydrophobic forces with minor contributions from ionic interaction and with PPA HyperCel, it could be a combination of different non‐covalent interactions acting on different loci on the surface of the protein. Copyright © 2012 John Wiley & Sons, Ltd.
High‐affinity water‐soluble system for efficient naringinase immobilization in polyvinyl alcohol–dimethyl sulfoxide lens‐shaped particles
Authors: Nunes Mário A.P. , Fernandes Pedro C.B. , Ribeiro Maria H.L.
Published: October 2012

Polyvinyl alcohol (PVA) is a water‐soluble, biocompatible and biodegradable synthetic polymer whose application in the immobilization of biological agents for use in biocatalysis has shown promising results. This study aimed to investigate and optimize the immobilization of naringinase from Penicillium decumbens in PVA networks, targeting for the hydrolysis of naringin. Variables such as the most suitable cross‐linker, catalyst, inorganic salt, co‐solvents and solidification process were identified as key issues for PVA‐based methods to form lens‐shaped particles, while retaining high enzyme activity and stability. Major improvements were established for better and more reproducible immobilization conditions, namely, by designing a new immobilization apparatus to produce uniform lens‐shaped particles. The common problems of PVA‐based entrapment were significantly mitigated, through the use of selected cross‐linker, glutaraldehyde (GA), and co‐solvent, dimethyl sulfoxide (DMSO), which decreased the toxicity of the immobilization process and allowed the control of membrane porosity, respectively. The relevance of DMSO and GA and their interaction and effect on the swelling ratio, encapsulation efficiency and residual activity of PVA biocatalysts were established. The immobilization of naringinase in PVA under a DMSO concentration of 60%, cross‐linked with 1% GA, and particle lens size of 3.5–4.0 mm, width of 100–300 µm and average particle volume of 12.5 ± 0.92 µL, allowed an encapsulation efficiency of 98.6% and an average residual activity of 87% ± 3.6%. The kinetic characterization of the immobilized naringinase showed no changes in pH profile, whereas hydrolytic activity increased up to 60 °C. Immobilization in PVA/DMSO/GA lens‐shaped particles enhanced the storage stability of naringinase. Moreover, these naringinase bio‐immobilizates retained a conversion rate higher than 78% after 23 runs. Copyright © 2012 John Wiley & Sons, Ltd.
Towards a better understanding of the specificity of protein–protein interaction
Authors: Kysilka Jiří , Vondrášek Jiří
Published: October 2012

In order to predict interaction interface for proteins, it is crucial to identify their characteristic features controlling the interaction process. We present analysis of 69 crystal structures of dimer protein complexes that provides a basis for reasonable description of the phenomenon. Interaction interfaces of two proteins at amino acids level were localized and described in terms of their chemical composition, binding preferences, and residue interaction energies utilizing Amber empirical force field. The characteristic properties of the interaction interface were compared against set of corresponding intramolecular binding parameters for amino acids in proteins. It has been found that geometrically distinct clusters of large hydrophobic amino acids (leucine, valine, isoleucine, and phenylalanine) as well as polar tyrosines and charged arginines are signatures of the protein–protein interaction interface. At some extent, we can generalize that protein–protein interaction (seen through interaction between amino acids) is very similar to the intramolecular arrangement of amino acids, although intermolecular pairs have generally lower interaction energies with their neighbors. Interfaces, therefore, possess high degree of complementarity suggesting also high selectivity of the process. The utilization of our results can improve interface prediction algorithms and improve our understanding of protein–protein recognition. Copyright © 2012 John Wiley & Sons, Ltd.
Elution relationships to model affinity chromatography using a general rate model
Authors: Sandoval Gabriela , Andrews Barbara A. , Asenjo Juan A.
Published: October 2012

Different mathematical models with different degrees of complexity have been proposed to model affinity chromatography. In this work, in particular, a general rate model has been studied that considers axial dispersion, external film mass transfer, intraparticle diffusion, and kinetic effects investigating the influence in the simulations of two different relationships between the properties of the mobile phase and the affinity of different proteins to the ligand bound to the matrix. Two systems were used: Blue Sepharose and Protein A. With Blue Sepharose, an increasing linear salt gradient was used, and with Protein A, a decreasing semi‐linear pH gradient. The kinetic parameters obtained in each of the two elution (adsorption/desorption) relationships studied (a power law type and an exponential type) led to very good agreements between experimental and simulated elution curves of mixtures of proteins finding that for more symmetrical peaks, the preferred elution relationship should be the exponential one, in contrast to the more asymmetrical peaks which shapes are better simulated by the power law relationship. Copyright © 2012 John Wiley & Sons, Ltd.
Hesperidinase encapsulation towards hesperitin production targeting improved bioavailability
Authors: Furtado Andreia F. M. , Nunes Mario A. P. , Ribeiro Maria H. L.
Published: October 2012

Hesperidin (hesperitin‐7‐O‐rutinoside) and hesperitin (hesperitin‐7‐O‐glucoside) show anti‐inflammatory, antimicrobial, antioxidant, and anticarcinogenic effects and prevent bone loss. However, hesperidin has a low bioavailability compared to hesperitin due to the rutinoside moiety attached to the flavonoid. The removal of the rhamnose group to yield the corresponding flavonoid glucoside (hesperetin‐7‐glucoside) improved the bioavailability of the aglycone, hesperetin, in humans. In line with these assumptions, the aim of this work was the enzymatic production of hesperitin from hesperidin with hesperidinase. Despite the low hesperidin solubility in the reaction medium, the enzymatic bioconversion was carried with hesperidin soluble at lower concentrations (≤0.05 mg ml−1) and insoluble for high concentrations (>0.1–50 mg ml−1). A twofold increase in maximum reaction rates overtook the expected values, pointing to the enzyme ability to degrade insoluble hesperidin. To improve the bioprocess, hesperidinase was tested soluble and immobilized in calcium alginate (2%), k‐carrageenan (2%), and chitosan (2%) beads. The immobilization was carried out by adsorption and encapsulation. Chitosan was cross‐linked with glutaraldehyde (1% and 2%) and sodium sulfate (13.5% and 15%) in acetate buffer (0.02 M, pH 4.0). The relation between bioprocessing conditions and hesperidinase stability was studied. A residual activity of 193% was obtained with immobilized hesperidinase compared to the soluble form. A half‐life of 770 min was attained with hesperidinase encapsulated in calcium alginate beads. The results presented in this work highlight the potential of hesperidinase encapsulation towards hesperitin production with insoluble substrate. To our knowledge, this work presents for the first time the potential of hesperidinase encapsulation on hydrogels for hesperitin production. This is an important achievement for pharmaceutical and nutraceutical applications of hesperitin because this compound presents a higher bioavailability compared to hesperidin. Copyright © 2012 John Wiley & Sons, Ltd.
Effect of optimal irrigation, different fertilization, and reduced tillage on soil organic carbon storage and crop yields in the North China Plain
Authors: Zhao Xiaoning , Hu Kelin , Li Kejiang , Wang Pu , Ma Yongliang , Stahr Karl
Published: October 2012

The objective was to evaluate the effect of different agricultural managements on soil organic C (SOC) storage and crop yields in the North China Plain (NCP). The study was conducted at five experimental stations. Different agricultural managements were designed, including optimal (OPT) and conventional (CON) irrigation and fertilization treatments, different amounts of fertilization application and residue‐return treatments, and different tillage practices. Compared to the CON treatment, SOC storage in the 1 m soil profile under the OPT treatment increased by 2 t ha–1, 8 t ha–1, and 4 t ha–1 at Quzhou, Wuqiao, and Dongbeiwang sites, respectively. The annual increasing rate of SOC storages in the topsoil (0–30 cm) under the OPT treatments at Wuqiao (0.88 t ha–1 y–1), Quzhou (0.93 t ha–1 y–1), and Dongbeiwang (1.86 t ha–1 y–1) were higher than those in the CON treatments at Wuqiao (0.15 t ha–1 y–1), Quzhou (0.54 t ha–1 y–1), and Dongbeiwang (0.28 t ha–1 y–1), but the difference of grain yields between the two treatments was not significant. The SOC storage in 1 m soil profile in the no‐tillage treatment with standing residue return (NT1) at Luancheng increased by 5 t ha–1 and 7 t ha–1 compared with rotary‐tillage (RT) and conventional‐tillage (CT) treatments, respectively, but the crop yield under no‐tillage treatment was the lowest. While at Quzhou site, it increased by 3 t ha–1 in the top 40 cm soil under the NT treatment compared to the CT treatment. The annual increasing rate of SOC storage in the top 30 cm under NT treatment was also the highest (1.08 t ha–1 y–1 at Luancheng, 1.86 t ha–1 y–1 at Quzhou), compared to the other tillage treatments. At Henghsui site, the combination of the highest fertilization application and highest residue‐return treatments got the highest SOC storage and the highest crop yields. We concluded that the agricultural management practices, such as optimal irrigation and fertilization treatment, the higher fertilization, residue return and RT, has significant impact on the SOC storage and agricultural sustainability in the NCP.
Analyzing capillary‐rise method settings for contact‐angle determination of granular media§
Authors: Carlos Ramírez‐Flores Juan , Bachmann Jörg
Published: October 2012

Water repellency is a relevant topic in soil‐science research due to its effects on vegetation growth, occurrence of surface runoff, infiltration, and erosion. Different methods have been adapted for the assessment of soil wettability by measuring the contact angle (CA), like the capillary‐rise method (CRM), where the liquid penetration dynamics into a dry sample is analyzed. However, questions related to sample preparation and the use of a suitable reference liquid in order to improve the reproducibility in such heterogeneous materials are still open. Different methods use ethanol as a reference liquid to quantify the degree of water repellency, like the molarity of ethanol droplets (MED), whereas other methods (CRM) suggest in addition n‐hexane as reference. To date, no generally accepted protocol has been invented to apply the CRM to soil particles. By using model porous materials with defined and stable levels of water repellency (silt, sand, and glass beads), CA results were compared for different initial settings of the sample. The main objective was to prove the CRM as a reliable and reproducible method to characterize soil wettability and to specify general guidelines for its application for granular materials in terms of sample size, sample‐packing procedure, and reference liquid. Results showed that a sample weight of ≈ 2 g has a relatively lower CA variation between replications. The packing procedure showed erratic results in CA, proving to be a critical factor in reproducibility. A uniform criterion of samples packing is recommended regarding application of CRM in soils. Regarding the reference liquid, n‐hexane should be preferred instead of ethanol for dynamic CA determination, because ethanol increased the tendency of CRM to overestimate angles due to dynamic effects, especially in finer‐textured materials (i.e., silt).
Dynamic evaluation of polypropylene capillary‐channeled fibers as a stationary phase in high‐performance liquid chromatography
Authors: Randunu K. Manoj , Dimartino Simone , Marcus R. Kenneth
Published: October 2012

Polypropylene (PP) capillary‐channeled polymer (C‐CP) fiber stationary phases are investigated for applications in HPLC. Specifically, the roles that fiber size and shape, linear velocity, interstitial fraction, and column inner diameter play in separation efficiency were evaluated using a uracil and butylparaben mixture eluted under isocratic conditions. Four fiber types, having nominal diameters ranging from 30 to 65 μm, were used in 250 mm × 2.1 mm columns. Optimum flow characteristics, as judged by plate height and resolution, were observed for 40 μm diameter PP C‐CP fibers packed at an interstitial fraction of ∼0.63, over a broad range of linear velocities (∼2 to 37 mm/s). The influence of column inner diameter was studied on 1.5, 2.1, and 4.6 mm columns packed at the optimal interstitial fraction. The best performing column in terms of plate height and resolution was the 2.1 mm inner diameter. C‐CP columns were also evaluated for the separation of a protein mixture composed of ribonuclease A, cytochrome c, and transferrin. Results obtained with the biomacromolecules mixture validate the optimal structural and operative conditions determined with the small solutes, laying the groundwork towards biomacromolecule applications, focusing more on the chemical aspects of separations.
A novel strategy to increase performance of solid‐phase microextraction fibers: Electrodeposition of sol‐gel films on highly porous substrate
Authors: Azar Parviz Aberoomand , Tehrani Mohammad Saber , Mohammadiazar Sirwan , Husain Syed Waqif
Published: October 2012

In the present work, the effect of substrate porosity for preparation of solid‐phase microextraction (SPME) fibers was investigated. The fibers were prepared by electrodeposition of sol‐gel coatings using negative potentials on porous Cu wire and compared with previous reported technique for preparation of SPME fibers using positive potentials on smooth gold wire. Porous substrate was prepared by electrodeposition of a thin layer of Cu on a Cu wire. The extraction capability of prepared fibers was evaluated through extraction of some aromatic hydrocarbons from the headspace of aqueous samples. The effect of substrate porosity and some operating parameters on extraction efficiency was optimized. The results showed that extraction efficiency of SPME fibers highly depends on porosity of the substrate. The LOD ranged from 0.005 to 0.010 ng/mL and repeatability at the 1 ng/mL was below 12%. Electrodeposited films were characterized for their surface morphology and thermal stability using SEM and thermogravimetric analysis, respectively. SEM analysis revealed formation of porous substrate and subsequently porous coating on the wire surface and thermogravimetric analysis showed high thermal stability of the prepared fiber.
Can detection of late‐onset PE at triage by sflt‐1 or PlGF be improved by the use of additional biomarkers?
Authors: Kaufmann Ines , Rusterholz Corinne , Hösli Irene , Hahn Sinuhe , Lapaire Olav
Published: October 2012

Objective

Accurate identification of preeclampsia (PE) at triage is essential to reduce maternal and fetal morbidity and mortality. The use of maternal blood based biomarkers may facilitate the clinician's ability to assess high risk pregnancies at triage.

Methods

A prospective cross‐sectional study was performed to investigate the value of soluble fms‐like tyrosine kinase‐1 (sFlt‐1), soluble endoglin (sEng), placental growth factor (PlGF), sP‐selectin, cell‐free fetal DNA and total cell‐free DNA in patients with late‐onset PE versus gestational age‐matched controls.

Results

The diagnosis of late‐onset PE (n = 21) at triage was significantly improved by altered levels of sFlt‐1, sEng, PlGF and cffDNA as compared with controls (n = 42). Areas under the receiver operating characteristic curves [AUC, Standard error (SE)] for predicting PE were for marker measurements prior to the first stage of labor as follows: sFlt‐1 0.97 (SE 0.02), sEng 0.91 (SE 0.04), PlGF 0.95 (SE 0.04), cell‐free fetal DNA (DYS 14) 0.84 (SE 0.06), total cell‐free DNA (glyceraldehyde 3‐phosphate dehydrogenase) 0.61 (SE 0.07), sP‐selectin 0.51 (SE 0.07). The discrimination could be slightly improved by using the slt1‐PlGF ratio: 0.98 (SE 0.02).

Conclusion

The sFlt‐1 is a useful tool for the detection of late‐onset PE at triage. This can be slightly improved using a sFlt‐1/PIGF ratio. The addition of other biomarkers did not improve screening performance for late‐onset PE. © 2012 John Wiley & Sons, Ltd.
Heterogeneous data integration by tree‐augmented naïve Bayes for protein–protein interactions prediction
Authors: Lin Xiaotong , Chen Xue‐wen
Published: October 2012

Most proteins execute their functions through interacting with other proteins. Thus, understanding protein–protein interactions (PPIs) is essential to decipher biological functions in a living cell. To predict large‐scale PPIs, effective and efficient computational approaches are desirable to integrate heterogeneous data sources provided by advanced technologies. In this paper, we extend our previous work on a Bayesian classifier for human PPI predictions from model organisms, by introducing a tree‐augmented naïve Bayes (TAN) classifier. TAN maintains the simplicity and robustness of a naïve Bayes classifier while allows for the dependence among variables. Our empirical results show that by integrating features extracted from microarray expression measurements, Gene Ontology values, and orthologous scores, TAN achieves higher classification accuracy than the manually constructed Bayesian network classifier and naïve Bayes. For human PPI prediction, TAN obtains 88% sensitivity while keeping a reasonable 70% specificity on testing samples.
Standing on the shoulders of Hermann Staudinger: Post‐polymerization modification from past to present
Authors: Günay Kemal Arda , Theato Patrick , Klok Harm‐Anton
Published: October 2012

With a span as long as the history of polymer science itself, post‐polymerization modification represents a versatile platform for the preparation of diversely functionalized polymers from a single precursor. Starting with the initial efforts by Staudinger in the 1920s, many of the early developments in modern polymer science can be attributed to the utilization of post‐polymerization modification reactions. The scope of post‐polymerization modification has greatly expanded since the 1990s due to the development of functional group tolerant controlled/living polymerization techniques combined with the (re)discovery of highly efficient coupling chemistries that allow quantitative, chemoselective, and orthogonal functionalization of reactive polymer precursors. After some basic mechanistic considerations, this Highlight will provide an overview of the development and evolution of eight main classes of post‐polymerization modification reactions. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013
Clicked (AB)2C‐type miktoarm terpolymers: Synthesis, thermal and self‐assembly properties, and preparation of nanoporous materials
Authors: Song Jie , Lee Eunji , Cho Byoung‐Ki
Published: October 2012

A well‐defined (PEO‐PS)2‐PLA miktoarm terpolymer (1) was synthesized by stepwise click reactions of individually prepared poly(ethylene oxide) (PEO), polystyrene (PS, polymerized by atom transfer radical polymerization), and polylactide (PLA, polymerized by ring‐opening polymerization) blocks. As characterized by differential scanning calorimetry and small‐angle X‐ray scattering techniques, the terpolymer self‐assembled into a hexagonal columnar structure consisting of PLA/PEO cylindrical cores surrounded by PS chains. In contrast, the ion‐doped sample (1‐Li+) with lithium concentration per ethylene oxide = 0.2 exhibited a three‐phase lamellar structure, which was attributed to the microphase separation between PEO and PLA blocks and to the conformational stabilization of the longest PLA chain. The two‐phase columnar morphology before the ion doping was used to prepare a nanoporous material. PLA chains in the cylindrical core region were hydrolyzed by sodium hydroxide, producing nanopores with a pore diameter of about 14 nm. The resulted nanoporous material sank to the bottom in water, because of water‐compatible PEO chains on the walls. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013
Considerations on selected reaction monitoring experiments: Implications for the selectivity and accuracy of measurements
Authors: Domon Bruno
Published: October 2012

Targeted MS analyses based on selected reaction monitoring (SRM) has enabled significant achievements in proteomic quantification, such that its application to clinical studies has augured great advancements for life sciences. The approach has been challenged by the complexity of clinical samples that affects the selectivity of measurements, in many cases limiting analytical performances to a larger extent than expected. This Personal Perspective discusses some insight to better comprehend the mismatch between the often underestimated sample complexity and the selectivity of SRM measurements performed on a triple quadrupole instrument. The implications for the design and evaluation of SRM assays are discussed and illustrated with selected examples, providing a baseline for a more critical use of the technique in the context of clinical samples and to evaluate alternative methods.
The presence of two different target‐site resistance mechanisms in individual plants of Alopecurus myosuroides Huds., identified using a quick molecular test for the characterisation of six ALS and seven ACCase SNPs
Authors: Marshall Ron , Hanley Steven J , Hull Richard , Moss Stephen R
Published: October 2012

BACKGROUND

Target‐site resistance to ALS‐ and ACCase‐inhibiting herbicides in the grass weed Alopecurus myosuroides is associated with well‐characterised allelic variants encoding ALS‐ and ACCase‐based resistance. The potential for combined ALS and ACCase resistance presents a threat to future control, given the extent to which these herbicides are used. The authors present a primer extension method for rapid detection of known resistance‐conferring substitutions.

RESULTS

Individuals showing combined resistance to field‐rate mesosulfuron + iodosulfuron and cycloxydim were identified in four field‐collected populations, with proportions ranging from 30 to 100%. Genotyping with the SNaPshot primer extension kit showed the T197 and L574 ALS and L1781 ACCase isoforms to be associated with ALS and ACCase resistance whenever they occurred.

CONCLUSION

Combined ALS and ACCase target‐site resistance threatens future control of A. myosuroides. The SNaPshot extension assay provides a reliable new multiplexable method for characterising known allelic variants of the ALS and ACCase genes of A. myosuroides. The method offers significant advantages over both CAPS/dCAPS and PASA in that full genotyping can be accomplished at any nucleotide position using a single extension primer. © 2012 Society of Chemical Industry
Management of an ACCase‐inhibitor‐resistant Lolium rigidum population based on the use of ALS inhibitors: weed population evolution observed over a 7 year field‐scale investigation
Authors: Collavo Alberto , Strek Harry , Beffa Roland , Sattin Maurizio
Published: October 2012

BACKGROUND

A 7 year experiment was set up in 2002 to evaluate the long‐term effects of weed management strategies based on graminicidal sulfonylureas (SUs) on the evolution of a Lolium rigidum population resistant to ACCase inhibitors in a continuous wheat cropping system. The strategies included the continued use of ALS inhibitors, the continued application of ACCase inhibitors and a simple resistance management strategy based on a biennial rotation of herbicide mode of action (MoA).

RESULTS

The efficacy of the tested SUs in the field decreased significantly, starting from the fourth treatment in all control strategies. Regardless of control strategy, the few survivors of the ALS treatment in the third season produced a significant number of ACCase‐ and ALS‐resistant (multiple‐resistant) progeny. Continuous ALS and biennial rotation of herbicides reduced weed densities, but L. rigidum conserved its ACCase resistance trait. Enhanced metabolism was detected in ALS‐resistant plants, whereas target site was primarily involved in the ACCase‐resistant individuals.

CONCLUSION

At the end of the experiment, multiple‐resistant individuals were found in all samples coming from the control strategies investigated. The biennial rotation between ALS and other MoA appeared to delay the development of resistance to SUs over continuous treatments, but additional measures will likely need to be taken in order to make this sustainable in the long term, whereas the field efficacy of SUs remained relatively high until the end of the experiment. Integrated weed management with more diversity should be introduced in oversimplified cropping systems in order to sustainably manage resistant L. rigidum populations. Copyright © 2012 Society of Chemical Industry
Linear bactenecin analogs with cell selectivity and anti‐endotoxic activity
Authors: Hai Nan Yong , Jacob Binu , Kim Yangmee , Yub Shin Song
Published: October 2012

Bactenecin (Bac) is a 12‐residue disulfide‐linked antimicrobial peptide isolated from the granules of bovine neutrophils. In this study, to develop novel linear Bac analogs with cell selectivity and anti‐endotoxic activity, we designed and synthesized a series of linear Bac analogs with amino acid substitution in Cys3,11 and/or Val6,7 of Bac. Among Bac analogs, some analogs (Bac‐W, Bac‐KW, Bac‐L, Bac‐KL, Bac‐LW, and Bac‐KLW) with higher hydrophobicity showed the amalgamated property of cell selectivity and anti‐endotoxic activity. Furthermore, Bac‐W, Bac‐KW, Bac‐LW, and Bac‐KLW showed serum stability comparable with that of disulfide‐bonded Bac. Therefore, these Bac analogs (Bac‐W, Bac‐KW, Bac‐LW, and Bac‐KLW) can serve as promising antibiotics for the development of therapeutic agents for treatment against endotoxic shock and bacterial infection. In addition, our results suggest that a little increase in hydrophobicity may be responsible for the decreased cell selectivity of the multiple Arg‐containing peptides (Bac‐W, Bac‐L, and Bac‐LW) over the multiple Lys‐containing peptides (Bac‐KW, Bac‐KL, and Bac‐KLW). Copyright © 2012 European Peptide Society and John Wiley & Sons, Ltd.
A Systematic Review on the Impact of Internal Remittances on Poverty and Consumption in Developing Countries: Implications for Policy
Authors: Housen Tambri , Hopkins Sandra , Earnest Jaya
Published: October 2012

This paper reviews the current literature on the usage and impact of internal remittances on recipient households in low‐income countries. A systematic review was conducted using six electronic and four informal databases. Using narrative synthesis, we reviewed 18 studies. The results of the review provide strong evidence revealing that internal migration is an important poverty reduction strategy with remittances having the greatest impact on the poorest households. Internal migrant remittances serve not only to improve livelihood by decreasing the household depth and severity of poverty but also increase household investment in education and housing. This review proposes recommendations for policy and future internal remittances research. Copyright © 2012 John Wiley & Sons, Ltd.
Ultrafast spectroscopic imaging of exfoliated graphene
Authors: Grancini Giulia , Martino Nicola , Bianchi Massimiliano , Rizzi Laura Giorgia , Russo Valeria , Li Bassi Andrea , Casari Carlo Spartaco , Petrozza Annamaria , Sordan Roman , Lanzani Guglielmo
Published: October 2012

In this paper we investigate the carrier cooling dynamics in graphene flakes exploiting ultrafast transient absorption imaging technique. This tool enables us to combine nanoscale spatial resolution and sub‐picosecond (ps) time resolution. It provides many advantages over the standard transient absorption techniques because it directly investigates the excited state dynamics at a local scale that would be usually averaged out. The local dynamics show a photobleaching recovery in the first ps, assigned to cooling by electron–phonon scattering. We found that the photoexcited carrier dynamics is spatially uniform over the micrometer‐sized exfoliated graphene layer.

magnified image

Ultrafast pump–probe technique is combined with an optical microscope to investigate the local excited state dynamics in graphene flakes.
High density excitation effects in excitonic diffusion processes in Lz‐gradient quantum well
Authors: Konishi Syunya , Nagatomo Yusuke , Iwamitsu Kazunori , Shimamoto Tomoshige , Fujii Atsuhiro , Akai Ichiro
Published: October 2012

We investigated high density excitation effects in propagation and diffusion processes of free excitons confined in an Lz‐gradient GaAs quantum well (QW). From measurements of µPL spectra, it was found that driving force owing to a confined‐energy gradient makes QW excitons propagate asymmetrically to the falling gradient direction. In addition, it was figured out that many body interactions among the high density QW excitons enhance their isotropic diffusion process in the Lz‐gradient QW (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Tellurite hybrid microstructured optical fibers with flattened dispersion at the telecom window
Authors: Asano Koji , Duan Zhongchao , Tuan Tong Hoang , Suzuki Takenobu , Ohishi Yasutake
Published: October 2012

We propose a tellurite hybrid microstructured optical fiber (HMOF) with the flattened chromatic dispersion and high nonlinearity at the telecom window to realize efficient parametric frequency conversion, Raman soliton and supercontinuum (SC) generation. This fiber consists of a TeO2‐Li2O‐WO3‐MoO3‐Nb2O5 (TLWMN) tellurite glass and TeO2‐ZnO‐Na2O‐P2O5 (TZNP) phospho‐tellurite glass as the core and cladding, respectively. This HMOF has air holes in the cladding surrounding the core with small diameter about 1.0 µm. This structural feature provides tellurite HMOFs with the large refractive index difference between the core and cladding and improvement in flexibility of dispersion management. To achieve the flattened chromatic dispersion at the telecom window, we have studied the structure of tellurite HMOF. And then, we analyzed the chromatic dispersion and nonlinearity of the designed tellurite HMOF. The flattened chromatic dispersion between ‐2 and 0.7 ps/nm/km in wavelength range from 1.4 to 2.2 µm and the nonlinearity γ = 4 m‐1W‐1 at wavelength of 1.55 µm are obtained. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Structural modification of chalcogenide glasses by gamma‐irradiation studied with DBAL technique
Authors: Kavetskyy Taras , Tsmots Volodymyr , Šauša Ondrej , Stepanov Andrey L.
Published: October 2012

The original experimental results on the study of structural modification of chalcogenide glasses by 60Co γ‐irradiation with energy of 1.25 MeV and dose of 2.41 MGy for As2S3, Ge15.8As21S63.2, Ge9.5As28.6S61.9 and Ge23.5As11.8S64.7alloys using Doppler broadening of annihilation line (DBAL) technique are reported. The γ‐irradiation‐induced effect is analyzed in terms of Doppler S and W annihilation parameters. In particular, the observed different slope of S ‐W plots for glassy (g‐) As2S3 and g‐Ge15.8As21S63.2studied in the unirradiated and γ‐irradiated states indicates that the defect structure of these alloys in the radiation‐modified state is different, obviously, as a result of various mechanisms of radiation‐induced defect formation. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Phase competition and photomagnetism in supramolecular assemblies based on octacyanomolybdates of square antiprism configuration
Authors: Yamamoto Shoji , Ohara Jun
Published: October 2012

We construct a microscopic theory on the photomagnetism in the cyano‐bridged bimetallic assemblies Cu2[Mo(CN)8]·��H2O. Going through a grouptheoretical analysis on the ground‐state properties, we simulate photoirradiation and the resultant magnetization dynamics with a time‐dependent Hartree‐Fock method.

It is not c‐axis‐polarized photons but those polarized in the ab plane that induce a macroscopic magnetization. Absorption of the photon energy is double‐stepped and the occurrence of a significant magnetization is simultaneous with the second stage (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Bronchodilator Activity of Aerial Parts of Polygonatum verticillatum Augmented by Anti‐inflammatory Activity: Attenuation of Ca2+ Channels and Lipoxygenase
Authors: Khan Haroon , Saeed Muhammad , Gilani Anwarul Hassan , Mehmood Malik Hassan , Rehman Najeeb‐ur , Muhammad Naveed , Abbas Muzaffar , Haq Ikram‐ul
Published: October 2012

Polygonatum verticillatum is commonly used for the treatment of asthma and inflammation. The current study was aimed to scrutinize the pharmacological profile of methanolic extract of the aerial parts (PA). Isolated tracheal preparations were used for the evaluation of bronchodilatory activity, whilst the in vivo carrageenan‐induced paw oedema test and an in vitro lipoxygenase (LOX) inhibitory assay were used for the assessment of the anti‐inflammatory profile of PA. When tested against carbachol and K+ (80 mM)‐induced contractions, PA caused complete inhibition of isolated rabbit tracheal preparations in a dose‐dependent mode, similar to verapamil. While elucidating possible mechanism, PA shifted the Ca2+ concentration–response curves to the right, analogous to that produced by verapamil, confirming a Ca2+ channel blocker‐like activity. PA provoked profound reduction in paw oedema with a maximum protection of 60.87% at 200 mg/kg i.p. in a dose‐dependent manner which was augmented by its prominent LOX inhibitory activity (IC50: 125 µg/mL). These findings authenticated its therapeutic potential in the treatment of asthmatic and inflammatory conditions. Copyright © 2012 John Wiley & Sons, Ltd.
Anti‐Inflammatory and PPAR Transactivational Properties of Flavonoids from the Roots of Sophora flavescens
Authors: Quang Tran Hong , Ngan Nguyen Thi Thanh , Minh Chau Van , Kiem Phan Van , Tai Bui Huu , Nhiem Nguyen Xuan , Thao Nguyen Phuong , Luyen Bui Thi Thuy , Yang Seo Young , Kim Young Ho
Published: October 2012

Anti‐inflammatory and peroxisome proliferator‐activated receptors (PPARs) transactivational effects of nine compounds (1 − 9) from the roots of Sophora flavescens were evaluated using NF‐κB‐luciferase, reverse transcriptase polymerase chain reaction, peroxisome proliferator response element (PPRE)‐luciferase, and GAL‐4‐PPAR chimera assays. Compounds 4 and 8 significantly inhibited TNFα‐induced NF‐κB transcriptional activity in HepG2 cells in a dose‐dependent manner, with IC50 values of 4.0 and 4.4 μM, respectively. Furthermore, the transcriptional inhibitory function of these compounds was confirmed by a decrease in cyclooxgenase 2 and inducible nitric oxide synthase gene expression levels in HepG2 cells. Compounds 1, 3, 5, 6, 8, and 9 significantly activated the transcription of PPARs in a dose‐dependent manner, with EC50 values ranging from 1.1 to 13.0 μM. Compounds 1, 3, 5, 6, 8, and 9 exhibited dose‐dependent PPARα transactivational activity, with EC50 values in a range of 0.9 − 16.0 μM. Compounds 1, 3, 8, and 9 also significantly upregulated PPARγ activity in a dose‐dependent manner, with EC50 values of 10.5, 6.6, 15.7, and 1.6 μM, whereas compounds 1, 8, and 9 demonstrated transactivational PPARβ(δ) effects with EC50 values of 11.4, 10.3, and 1.5 μM, respectively. These results provide a scientific rationale for the use of the roots of S. flavescens and warrant further studies to develop new agents for the prevention and treatment of inflammatory and metabolic diseases. Copyright © 2012 John Wiley & Sons, Ltd.
Binding conformations, QSAR, and molecular design of Alkene‐3‐quinolinecarbonitriles as Src inhibitors
Authors: Zeng G. H. , Fang D. Q. , Wu W. J. , Zhang R. , Xie W. G. , Wu J. H. , Shen Y.
Published: October 2012

A theoretical study on binding orientations and quantitative structure–activity relationship (QSAR) of a novel series of alkene‐3‐quinolinecarbonitriles acting as Src inhibitors has been carried out by using the docking study and three‐dimensional QSAR (3D‐QSAR) analyses. The appropriate binding orientations and conformations of these compounds interacting with Src kinase were revealed by the docking studies, and the established 3D‐QSAR models show significant statistical quality and satisfactory predictive ability, with high R2 values and q2 values: comparative molecular field analysis (CoMFA) model (q2 = 0.748, R2 = 0.972), comparative molecular similarity indices analysis (CoMSIA) model (q2 = 0.731, R2 = 0.987). The systemic external validation indicated that both CoMFA and CoMSIA models possessed high predictive powers with
$ R{^2}_{\!\!\!\rm pred} $
values of 0.818 and 0.892,
$ {r^2}_{\!\!\!\rm m} $
values of 0.879 and 0.886,
$ {r^2}_{\!\!\!\rm m(LOO)} $
values of 0.874 and 0.874,
$ r^2_{\rm m(overall)} $
values of 0.879 and 0.885, respectively. Several key structural features of the compounds responsible for inhibitory activity were discussed in detail. Based on these structural factors, eight new compounds with quite higher predicted Src‐inhibitory activities have been designed and presented. We hope these theoretical results can offer some valuable references for the pharmaceutical molecular design as well as the action mechanism analysis. © 2012 Wiley Periodicals, Inc.
Effect of 20(S)‐ginsenoside Rg3 on streptozotocin‐induced experimental type 2 diabetic rats: a urinary metabonomics study by rapid‐resolution liquid chromatography/mass spectrometry
Authors: Niu Jun , Pi Zi‐Feng , Yue Hao , Yang Hongmei , Wang Yang , Yu Qing , Liu Shu‐Ying
Published: October 2012

RATIONALE

20(S)‐ginsenoside Rg3 is an active component of Panax ginseng. It is known that 20(S)‐ginsenoside Rg3 has a protective effect against hyperglycemia, obesity and diabetes in vivo, but the precise mechanisms of these actions have not yet been entirely elucidated.

METHODS

A urinary metabonomics method based on rapid‐resolution liquid chromatography/mass spectrometry (RRLC/MS) was developed to investigate the effect of 20(S)‐ginsenoside Rg3 on type 2 diabetic rats.

RESULTS

With multivariate statistical analysis, a clear separation between type 2 diabetic rats and those treated with 20(S)‐ginsenoside Rg3 was achieved. Six potential biomarkers were found and identified.

CONCLUSIONS

This work shows that the mechanism of the effect of 20(S)‐ginsenoside Rg3 on type 2 diabetes may be involved with the regulation of nucleic acid metabolism, energy metabolism and gut flora metabolism. Copyright © 2012 John Wiley & Sons, Ltd.