bluuebunny/crossref_metadata_2025 huggingface dataset:
Insight into Local Structure and Molecular Dynamics in Organic Solid‐State Ionic Conductors
Authors: Zhu Haijin , Chen Fangfang , Jin Liyu , O'Dell Luke A. , Forsyth Maria
Published: September 2014

Elucidating the rate and geometry of molecular dynamics is particularly important for unravelling ion‐conduction mechanisms in electrochemical materials. The local molecular motions in the plastic crystal 1‐ethyl‐1‐methylpyrrolidinium tetrafluoroborate ([C2mpyr][BF4]) are studied by a combination of quantum chemical calculations and advanced solid‐state nuclear magnetic resonance spectroscopy. For the first time, a restricted puckering motion with a small fluctuation angle of 25° in the pyrrolidinium ring has been observed, even in the low‐temperature phase (−45 °C). This local molecular motion is deemed to be particularly important for the material to maintain its plasticity, and hence, its ion mobility at low temperatures.
3D morphometry of red blood cells by digital holography
Authors: Memmolo Pasquale , Miccio Lisa , Merola Francesco , Gennari Oriella , Netti Paolo Antonio , Ferraro Pietro
Published: September 2014

Three dimensional (3D) morphometric analysis of flowing and not‐adherent cells is an important aspect for diagnostic purposes. However, diagnostics tools need to be quantitative, label‐free and, as much as possible, accurate. Recently, a simple holographic approach, based on shape from silhouette algorithm, has been demonstrated for accurate calculation of cells biovolume and displaying their 3D shapes. Such approach has been adopted in combination with holographic optical tweezers and successfully applied to cells with convex shape. Nevertheless, unfortunately, the method fails in case of specimen with concave surfaces. Here, we propose an effective approach to achieve correct 3D shape measurement that can be extended in case of cells having concave surfaces, thus overcoming the limit of the previous technique. We prove the new procedure for healthy red blood cells (RBCs) (i.e., discocytes) having a concave surface in their central region. Comparative analysis of experimental results with a theoretical 3D geometrical model of RBC is discussed in order to evaluate accuracy of the proposed approach. Finally, we show that the method can be also useful to classify, in terms of morphology, different varieties of RBCs. © 2014 International Society for Advancement of Cytometry
Magnetic beads as an extraction medium for simultaneous quantification of acetaminophen and structurally related compounds in human serum
Authors: Bylda Caroline , Velichkova Vanya , Bolle Jens , Thiele Roland , Kobold Uwe , Volmer Dietrich A.
Published: September 2014

This paper describes a sample preparation method that complements a previously published liquid chromatography‐tandem mass spectrometry (LC‐MS/MS) assay for acetaminophen and eight structurally‐related compounds in human serum (C. Bylda, R. Thiele, U. Kobold, D.A. Volmer. Drug Test. Anal. 2014, 6, 451). The analytes (acetaminophen [APAP] + metabolites acetaminophen‐glucuronide [APG], ‐cysteine [APC], ‐mercapturate [APM] and ‐cysteine [APC], structurally similar analogues phenacetin and p‐phenetidine, as well as tricyclic antidepressants imipramine and amitryptiline) were extracted from serum using magnetized hyper‐crosslinked polystyrene particles. The sample preparation protocol was developed by means of a design of experiments (DoE) statistical approach. Using three representative compounds from the analyte panel with different polarities (high, medium, and low), two screening designs were used to identify factors that exhibited significant impact on recovery of the analytes. These parameters were then optimized to permit extraction of the complete target panel exhibiting a broad range of chemical polarities. Liquid chromatographic separations were achieved by gradient elution using a pentafluorphenyl column with subsequent detection by electrospray ionization‐triple quadrupole mass spectrometry in multiple reaction monitoring (MRM) mode. The method was linear over the range 0.1–100 µg/mL for APAP, APG, p‐phenetidine and phenacetin, 0.03–50 µg/mL for APS, and 0.01–10 µg/mL for APM, APC, imipramine and amitriptyline, with R2 > 0.99. The assay exhibited good precision with CVs ranging from 2 to 9% for all analytes; the accuracy was assessed by comparing two LC‐MS/MS methods using a set of 68 patient samples. Copyright © 2014 John Wiley & Sons, Ltd.
Dispersal and spatial heterogeneity allow coexistence between enemies and protective mutualists
Authors: Poisot Timothée , Bever James D. , Thrall Peter H. , Hochberg Michael E.
Published: September 2014

Protective mutualisms, where a symbiont reduces the negative effects of another species on a shared host, represent a common type of species interaction in natural communities, yet it is still unclear what ecological conditions might favor their emergence. Studies suggest that the initial evolution of protective mutualists might involve closely related pathogenic variants with similar life histories, but different competitive abilities and impacts on host fitness. We derive a model to evaluate this hypothesis and show that, in general, a protective variant cannot spread from rarity or exclude a more pathogenic strain. While the conditions allowing mutualist invasion are more likely with increased environmental productivity, they still depend on initial densities in the invaded patch exceeding a threshold, highlighting the likely importance of spatial structure and demographic stochasticity. Using a numerical simulation approach, we show that regional coexistence is in fact possible in an explicitly spatial system and that, under some circumstances, the mutualist population can exclude the enemy. More broadly, the establishment of protective mutualists may be favored when there are other life‐history differences from more pathogenic symbionts, such as vertical transmission or additional direct benefits to hosts.
Transient Treg‐cell depletion in adult mice results in persistent self‐reactive CD4+ T‐cell responses
Authors: Nyström Sofia N. , Bourges Dorothée , Garry Sarah , Ross Ellen M. , van Driel Ian R. , Gleeson Paul A.
Published: September 2014

Depletion of Foxp3+CD4+ regulatory T cells (Treg) in adults results in chronic inflammation and autoimmune disease. However, the impact of transient Treg‐cell depletion on self‐reactive responses is poorly defined. Here, we studied the effect of transient depletion of Treg cells on CD4+ T‐cell responses to endogenous self‐antigens. Short‐term ablation of Treg cells in mice resulted in rapid activation of CD4+ T cells, increased percentage of IFN‐γ+ and Th17 cells in lymphoid organs, and development of autoimmune gastritis. To track self‐reactive responses, we analyzed the activation of naïve gastric‐specific CD4+ T cells. There was a dramatic increase in proliferation and acquisition of effector function of gastric‐specific T cells in the stomach draining LNs of Treg‐cell‐depleted mice, compared with untreated mice, either during Treg‐cell depletion or after Treg‐cell reconstitution. Moreover, the hyperproliferation of gastric‐specific T cells in the Treg‐cell‐ablated mice was predominantly antigen‐dependent. Transient depletion of Treg cells resulted in a shift in the ratio of peripheral:thymic Treg cells in the reemerged Treg‐cell population, indicating an altered composition of Treg cells. These findings indicate that transient Treg‐cell depletion results in ongoing antigen‐driven self‐reactive T‐cell responses and emphasize the continual requirement for an intact Treg‐cell population.
“We have no quarrel with you”: Effects of group status on characterizations of “conflict” with an outgroup
Authors: Livingstone Andrew G. , Sweetman Joseph , Bracht Eva M. , Haslam S. Alexander
Published: September 2014

In three studies, we examined the effect of intergroup status on group members' tendencies to characterize the ingroup's relationship with an outgroup as conflictual following outgroup action. Findings from all three studies supported the prediction that the intergroup relationship would be characterized as less conflictual when the ingroup had relatively high rather than low status. Consistent with the hypothesis that the effect of status reflects strategic concerns, it was moderated by the perceived relevance of the outgroup's action to intergroup status relations (study 1), it was sensitive to audience (study 2), and it was partially mediated by status management concerns (study 3). The role of strategic, status‐related factors in intergroup relations is discussed. Copyright © 2014 John Wiley & Sons, Ltd.
Study of the Histamine Electrochemical Oxidation Catalyzed by Nickel Sulfate
Authors: Koita Démo , Tzedakis Theodore , Kane Cheikhou , Diaw Mahy , Sock Oumar , Lavedan Pierre
Published: September 2014

Thin layer technique was applied to the indirect anodic oxidation of histamine, catalyzed by NiSO4. Coulometric determination of the electron number demonstrates that histamine complexes Ni(II) and resulting adducts can be electrochemically oxidized in a single‐electron reaction, to lead Ni(III)‐histamine. The system Ni(III)/Ni(II) acts as ‘redox mediator’ for histamine oxidation. The equilibrium constant of the Ni(II)‐histamine complex formation was 106 , value showing the strong affinity between species. High content of histamine (>0.1 M), detected in fresh fish (previously exposed to the sun) extracts, showing potentialities for future design of a sensor for direct measurement in fish.
Novel Nickel Redox Polymer as an Efficient Electrode Material for Electrochemical Sensing
Authors: Wu Liping , Gao Yansha , Xu Jingkun , Lu Limin , Nie Tao
Published: September 2014

A novel redox polymer comprised of poly(3,4‐ethylenedioxythiophene) (PEDOT) and ethylenediamine tetraacetic acid‐Ni2+ (EDTA‐Ni) complex serving as doping anions has been synthesised by a facile one‐step electrochemical approach and utilized as an efficient electrode material for sensitive luteolin detection. The morphology, chemical structure and composition of the redox polymer were analyzed by SEM, UV‐vis and FT‐IR spectrum. Electrochemical tests revealed that the redox polymer was highly electrochemically reversible and exhibited good electrocatalytic activity to the redox reactions of luteolin with a linear range covering from 1 nM to 10 µM with a low detection limit of 0.3 nM of luteolin.
Electrochemical Properties of the Oxo‐Manganese‐Phenanthroline Complex Immobilized on Ion‐Exchange Polymeric Film and Its Application as Biomimetic Sensor for Sulfite Ions
Authors: Machini Wesley B. S. , Teixeira Marcos F. S.
Published: September 2014

A biomimetic sensor containing the oxo‐bridged dinuclear manganese‐phenanthroline complex incorporated into a cation‐exchange polymeric film deposited onto glassy carbon electrode for detection of sulfite was studied. Cyclic voltammetry at the modified electrode in universal buffer showed a two electron oxidation/reduction of the couple MnIV(μ‐O)2MnIV/MnIII(μ‐O)2MnIII. The sensor exhibited electrocatalytic property toward sulfite oxidation with a decrease of the overpotential of 450 mV compared with the glassy carbon electrode. A plot of the anodic current versus the sulfite concentration for potential fixed (+0.15 V vs. SCE) at the sensor was linear in the 4.99×10−7 to 2.49×10−6 mol L−1 concentration range and the concentration limit was 1.33×10−7 mol L−1. The mediated mechanism was derived by MichaelisMenten kinetics. The calculated kinetics values were MichaelisMenten rate constant=${K{{{\rm app}\hfill \atop {\rm M}\hfill}}}$=1.33 µmol L−1, catalytic rate constant=6.06×10−3 s−1 and heterogeneous electro‐chemical rate constant=3.61×10−5 cm s−1.
First Electrochemical Report for Simultaneous Determination of Norepinephrine, Tyrosine and Nicotine Using a Nanostructure Based Sensor
Authors: Molaakbari Elahe , Mostafavi Ali , Beitollahi Hadi
Published: September 2014

A carbon paste electrode was modified with ZnO nanorods and 3‐(4′‐amino‐3′‐hydroxy‐biphenyl‐4‐yl)‐acrylic acid (3,4′AAZCPE) to cause electrocatalysis of norepinephrine oxidation. It has been found that the oxidation of norepinephrine at the surface of modified electrode occurs at a potential of about 180 mV less positive than that of an unmodified carbon paste electrode. Square wave voltammetry (SWV) exhibits linear dynamic range from 1.0×10−7 to 8.0×10−5 M and a detection limit of 3.9×10−8 M for norepinephrine. In addition, this modified electrode was used for simultaneous determination of norepinephrine, tyrosine and nicotine.
Dimethyl Ether Synthesis from Syngas over the Admixed Cu/ZnO/Al2O3 Catalyst and Alkaline Earth Oxide‐Modified HZSM‐5 Zeolite
Authors: Mao Dongsen , Guo Xiaoming
Published: September 2014

HZSM‐5 zeolites modified with various alkaline earth oxides (MgO, CaO, and BaO) were prepared by using impregnation and mixed physically with Cu/ZnO/Al2O3 to perform the direct synthesis of dimethyl ether (DME) from syngas in a pressurized fixed‐bed under continuous flow conditions. The results indicated that the modification effectively enhanced the DME selectivity; MgO and CaO are more effective modifiers than BaO and they improved the DME selectivity up to 67 % as compared to only 54 % over the parent HZSM‐5. Moreover, the catalyst prepared from magnesium nitrate exhibits higher DME selectivity than those prepared from magnesium acetate and chloride. The enhancement in the DME selectivity resulted from the effective suppression of hydrocarbon and CO2 formation, which can be attributed to the significant decline in the amount of strong acid sites of the HZSM‐5 zeolite resulting from the modification.
An Efficient Photoelectrochemical Hydrogen Evolution System using Silicon Nanomaterials with Ultra‐High Aspect Ratios
Authors: Lee Duck Hyun , Kobaku Sai P. R. , Hong Young‐Rae , Kwon Jae Young
Published: September 2014

We fabricated ultra‐high aspect ratio silicon nanomaterials, including a silicon nanomesh and silicon nanowire array, on a wafer scale for efficient photoelectrochemical hydrogen production. These silicon nanomaterials (feature size≈20 nm) possess a high aspect ratio to increase the optical absorptivity of the cells to approximately 95 % over a broad range of wavelengths. The silicon nanomesh and Si nanowire cells achieved high photocurrent values of 13 and 28 mA cm−2, respectively, which are increased by 200 % and 570 % in comparison to their bulk counterparts. In addition, these scalable Si nanomaterials remained stable for up to 100 min of hydrogen evolution. Detailed studies on the doping and geometrical structures of the resulting hydrogen evolution cells suggest that both the n+ pp+ doping and thickness of nanostructures are keys to the enhancement of the hydrogen evolution efficiency. The results obtained in this work show that these silicon nanomaterials can be used for high‐performance water‐splitting system applications.
Optimization on drying conditions of a solar electrohydrodynamic drying system based on desirability concept
Authors: Dalvand Mohammad Jafar , Mohtasebi Seyed Saeid , Rafiee Shahin
Published: September 2014

The purpose of this article was to present a new drying method for agricultural products. Electrohydrodynamic (EHD) has been applied for drying of agricultural materials due to several advantages such as energy saving, low cost equipment, low drying temperatures, and superior material quality. To evaluate this method, an EHD dryer based on solar (photovoltaic) energy was designed and fabricated. Moreover, the optimum condition for the EHD drying of kiwi fruit was studied by applying the Box–Behnken design of response surface methodology. The desirability function was applied for optimization in case of single objective and multiobjective functions. By using the multiobjective optimization method, maximum desirability value of 0.865 was obtained based on the following: applied voltage of 15 kV, field strength of 5.2 kV cm−1, without forced air stream, and finally a combination of 17 discharge electrodes (needles). The results indicated that increasing the applied voltage from 6 to 15 kV, moisture ratio (MR) decreased, though energy efficiency and energy consumption were increasing. On the other hand, field strength of 5.2 kV cm−1 was the optimal point in terms of MR.
Inference on germline BAP1 mutations and asbestos exposure from the analysis of familial and sporadic mesothelioma in a high‐risk area
Authors: Betti Marta , Casalone Elisabetta , Ferrante Daniela , Romanelli Antonio , Grosso Federica , Guarrera Simonetta , Righi Luisella , Vatrano Simona , Pelosi Giuseppe , Libener Roberta , Mirabelli Dario , Boldorini Renzo , Casadio Caterina , Papotti Mauro , Matullo Giuseppe , Magnani Corrado , Dianzani Irma
Published: September 2014

Inherited loss‐of‐function mutations in the BAP1 oncosuppressor gene are responsible for an inherited syndrome with predisposition to malignant mesothelioma (MM), uveal and keratinocytic melanoma, and other malignancies. Germline mutations that were inherited in an autosomal dominant fashion were identified in nine families with multiplex MM cases and 25 families with multiple melanoma, renal cell carcinoma, and other tumors. Germline mutations were also identified in sporadic MM cases, suggesting that germline mutations in BAP1 occur frequently. In this article, we report the analysis of BAP1 in five multiplex MM families and in 103 sporadic cases of MM. One family carried a new truncating germline mutation. Using immunohistochemistry, we show that BAP1 is not expressed in tumor tissue, which is in accordance with Knudson's two hits hypothesis. Interestingly, whereas the three individuals who were possibly exposed to asbestos developed MM, the individual who was not exposed developed a different tumor type, that is, mucoepidermoid carcinoma. This finding suggests that the type of carcinogen exposure may be important for the cancer type that is developed by mutation carriers. On the contrary, the other families or the 103 sporadic patients did not show germline mutations in BAP1. Our data show that BAP1 mutations are very rare in patients with sporadic MM, and we report a new BAP1 mutation, extend the cancer types associated with these mutations, and suggest the existence of other yet unknown genes in the pathogenesis of familial MM. © 2014 Wiley Periodicals, Inc.
Regioselective Addition of Dithiophosphinic Acids to Vinyl Sulfides and Selenides: An Efficient Route Toward Functional Dithiophosphinates
Authors: Oparina Ludmila A. , Artem'ev Alexander V. , Kolyvanov Nikita A. , Vysotskaya Oksana V. , Chernysheva Nataliya A. , Smirnov Vladimir I. , Borodina Tatyana N. , Gusarova Nina K. , Trofimov Boris A.
Published: September 2014

Earlier unknown S‐[1‐(organosulfanyl)ethyl]‐ and S‐[1‐(organoselenyl)ethyl] dithiophosphinates were synthesized in 85–97% yields by regioselective addition of dithiophosphinic acids to diverse vinyl sulfides and selenides under mild conditions (ambient temperature, Et2O, 3 h).
Trends in cancer incidence in rural Eastern Cape Province; South Africa, 1998–2012
Authors: Somdyala Ntuthu I.M. , Parkin D. Maxwell , Sithole Nomfuneko , Bradshaw Debbie
Published: September 2014

There are few cancer trend data reported in sub‐Saharan Africa notably due to the scarcity of population‐based cancer registries (PBCRs). The Eastern Cape Province PBCR is amongst the few registries in sub‐Saharan Africa that reports data for a rural population. Trends in cancer incidence are reported for the period 1998–2012. Registered cases, age‐standardized rates (ASRs) and standardized rate ratios are presented for the most common cancers in both males and females in three periods (1998–2002, 2003–2007 and 2008–2012). In males, the most commonly diagnosed cancer during the 15 year period was cancer of the oesophagus; incidence rates showed a significant decline over the 15 year period, entirely due to a 30% decrease between 2003–2007 and 2008–2012, to an ASR of 23.2 per 100,000 population. This was followed by prostate cancer, the incidence of which was more than doubled to a level of 9.9/100,000. In women, cancer of the cervix uteri has become the most common malignancy, with a significant increase in incidence during the period to 29.0/100,000. Oesophageal cancer is second in frequency, with (as in males) a significant decline in the final 10 years to an incidence of 14.5/100,000 in 2008–2012. The incidence of breast cancer increased by 61%, although the absolute rate remains low (12.2/100,000). The incidence rates of colorectal cancer are low, and the increases in incidence, although relatively large (35% in men, 63% in women) were not statistically significant. Kaposi sarcoma showed a dramatic increase in incidence in both sexes (3.5‐fold in men, 11‐fold in women) although the incidence remains relatively low by southern African standards. Cancer prevention and control activities in the area need to be informed by these data and strengthened.
Characteristic molecular and proteomic signatures of drug‐induced liver injury in a rat model
Authors: Eun Jung Woo , Bae Hyun Jin , Shen Qingyu , Park Se Jin , Kim Hyung Seok , Shin Woo Chan , Yang Hee Doo , Jin Chan Young , You Jueng Soo , Kang Hyun Joo , Kim Hoguen , Ahn Young Min , Park Won Sang , Lee Jung Young , Nam Suk Woo
Published: September 2014

Drug‐induced liver injury (DILI) is a major safety concern during drug development and remains one of the main reasons for withdrawal of drugs from the market. Although it is crucial to develop methods that will detect potential hepatotoxicity of drug candidates as early and as quickly as possible, there is still a lack of sensitive and specific biomarkers for DILI that consequently leads to a scarcity of reliable hepatotoxic data. Hence, in this study, we assessed characteristic molecular signatures in rat liver treated with drugs (pyrazinamide, ranitidine, enalapril, carbamazepine and chlorpromazine) that are known to cause DILI in humans. Unsupervised hierarchical clustering analysis of transcriptome changes induced by DILI‐causing drugs resulted in three different subclusters on dendrogram, i.e., hepatocellular, cholestatic and mixed type of DILI at early time points (2 days), and multiclassification analysis suggested 31 genes as discernible markers for each DILI pattern. Further analysis for characteristic molecular signature of each DILI pattern provided a molecular basis for different modes of DILI action. A proteomics study of the same rat livers was used to confirm the results, and the two sets of data showed 60 matching classifiers. In conclusion, the data of different DILI‐causing drug treatments from genomic analysis in a rat model suggest that DILI‐specific molecular signatures can discriminate different patterns of DILI at an early exposure time point, and that they provide useful information for mechanistic studies that may lead to a better understanding of the molecular basis of DILI. Copyright © 2014 John Wiley & Sons, Ltd.
Influence of the nanostructure of F‐doped TiO2 films on osteoblast growth and function
Authors: Lozano Daniel , Hernández‐López Juan M. , Esbrit Pedro , Arenas Maria A. , Gómez‐Barrena Enrique , de Damborenea Juan , Esteban Jaime , Pérez‐Jorge Concepción , Pérez‐Tanoira Ramón , Conde Ana
Published: September 2014

The aim of this study was to evaluate the proliferation and mineralization ability of mouse osteoblastic MC3T3‐E1 cells on F‐containing TiO2 films with different morphology and nanostructure that previously confirmed antibacterial properties. F‐containing TiO2 films were fabricated by anodizing Ti‐6Al‐4V alloy ELI ‐grade 23. By using a mixture of H2SO4/HF acid at 20 V for 5 and 60 min, a TiO2 film grows with nanoporous (NP) and nanotubular (NT) features, characterized with a pore diameter of 20 and 100 nm, respectively. Fluoride‐TiO2 barrier films (FBL) were produced in 1M NH4H2PO4/0.15M NH4F solution at constant voltage controlled at 20 V for 120 min. The amount of F incorporated in the nanostructured oxide films was 6 at % and of 4 at %, for the NP and NT, respectively, while for the FBL film was 12 at %. MC3T3‐E1 cells exhibited different behavior when seeded and grown onto these surfaces. Thus, F‐doped TiO2 films with NP structures increased proliferation as well as osteogenic gene expression and the mineralization capacity of these osteoblastic cells. These results confirm that anodizing process is suitable to fabricate multifunctional surfaces on Ti‐6Al‐4V alloy with improved not only antibacterial but also osteogenic properties useful for bone fixation of prosthetic devices © 2014 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 103A: 1985–1990, 2015.
Housing experimental rats in solid‐based cages with digestible bedding may confound outcomes of nutritional studies
Authors: Le Leu Richard K , Conlon Michael A , Bird Anthony R , Clarke Julie M
Published: September 2014

BACKGROUND

Rats used in nutritional studies are often kept in wire‐based cages to prevent ingestion of bedding and minimise ingestion of faeces. However, wire‐based cages are criticised because of potential negative animal welfare implications. This study investigated the effects of wire and solid‐based cages with corncob bedding on large bowel fermentation and microbiota. Rats were group housed in wire or solid‐based cages and fed either a low‐fibre (LF) diet or a high‐fibre (HF) diet composed of resistant starch for 4 weeks.

RESULTS

Bedding material was observed in faeces of rats housed in solid‐based cages. Caging type and diet altered large bowel fermentation variables and bacterial populations. Caecal digesta weight was lower in rats fed HF diet and maintained on bedding than in HF‐fed rats maintained on wire. Bacteria abundance associated with fibre fermentation was higher in LF‐diet fed rats maintained on bedding compared with LF‐fed rats housed on wire.

CONCLUSION

Maintaining rats in solid‐based cages with corncob bedding alters large bowel fermentation and bacterial communities owing to ingestion of bedding. These changes may confound outcomes of nutritional studies, particularly those investigating the health effects of fibres. The use of wire‐based caging may be justified in research of this type. © 2014 Society of Chemical Industry
Deforestation and Cultivation with Maize (Zea mays L.) has a Profound Effect on the Bacterial Community Structure in Soil
Authors: Gómez‐Acata Elizabeth Selene , Valencia‐Becerril Isaias , Valenzuela‐Encinas Cesar , Velásquez‐Rodríguez Alma Socorro , Navarro‐Noya Yendi Ebenezer , Montoya‐Ciriaco Nina , Suárez‐Arriaga Mayra Cecilia , Rojas‐Valdez Aketsally , Reyes‐Reyes Basilio Gabriel , Luna‐Guido Marco , Dendooven Luc
Published: September 2014

In this study, the effect of deforestation and cultivation of maize (Zea mays L.) on the physicochemical characteristics and the bacterial community structure in soil were studied at the national park Área de Protección de Flora y Fauna Nevado de Toluca in Mexico. Soil was sampled from three forested areas in the national park, from three deforested areas grazed by animals and from three areas cultivated with maize. The soil was characterized chemically and biologically, whilst the bacterial community structure was investigated through 454 pyrosequencing of the 16S rRNA gene. The pH in the forest soil decreased from 6·1 to 5·3 in the maize‐cultivated soil, whilst the soil organic C content decreased 1·4 times in the arable soil compared with the forest soil. The microbial biomass C decreased 2·9 times in the arable soil compared with the forest soil, but the metabolic quotient qCO2 (ratio basal respiration to microbial biomass C) nearly doubled. Deforestation and maize cultivation reduced the abundance of Proteobacteria, Actinobacteria and Bacteroidetes, whereas Acidobacteria, Chloroflexi, Gemmatimonadetes and Firmicutes were resistant to these changes. It was found that soil characteristics were affected negatively by deforestation and nearly half of the organic matter was lost, and on these sloped fields, erosion will be high, further decreasing soil fertility. Although the relative abundance of a number of bacterial groups was reduced by deforestation, others were not affected by land‐use change. Copyright © 2014 John Wiley & Sons, Ltd.
Ugi Reactions with CO2: Access to Functionalized Polyurethanes, Polycarbonates, Polyamides, and Polyhydantoins
Authors: Sehlinger Ansgar , Schneider Rebekka , Meier Michael A. R.
Published: September 2014

A novel strategy for the incorporation of carbon dioxide into polymers is introduced. For this purpose, the Ugi five‐component condensation (Ugi‐5CC) of an alcohol, CO2, an amine, an aldehyde, and an isocyanide is used to obtain step‐growth monomers. Polymerization via thiol‐ene reaction or polycondensation with diphenyl carbonate gives diversely substituted polyurethanes or alternating polyurethane‐polycarbonates, respectively. Furthermore, the application of 1,12‐diaminododecane and 1,6‐diisocyanohexane as bifunctional components in the Ugi‐5CC directly results in the corresponding polyamide bearing methyl carbamate side chains ( = 19 850 g mol−1). The latter polymer is further converted into the corresponding polyhydantoin in a highly straightforward fashion.

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A lexicographic multiobjective genetic algorithm for optimization of mechanical properties of crab carapace impregnated coir–polyester composites
Authors: Rajamuneeswaran S. , Jayabal S.
Published: September 2014

This work is aimed at determining the possibility of using crab carapace materials as reinforcing fillers in the coir fiber reinforced polyester composite. The sample preparation was carried out with three levels of fiber length (10, 30, & 50 mm), fiber weight content (10, 25, and 40%), and additive weight content (2, 4, and 6%). The composite sheets were prepared by impregnating crab carapace additive obtained from crab shell with coir fiber reinforced polyester composite using compression molding machine. The tensile, flexural, and impact strength of the composites were determined as per ASTM standards and regression models were developed to predict the mechanical behaviors of the composites using statistical technique. The fabrication parameters considered in this investigation has significantly contributed toward the mechanical properties of the composites. The developed regression models were optimized to obtain the maximum values of mechanical properties using single objective genetic algorithm and multiobjective lexicographic method in this investigation. POLYM. COMPOS., 37:844–853, 2016. © 2014 Society of Plastics Engineers
Simultaneous ultrasonication‐assisted internal mixing to prepare MWCNTs‐filled epoxy composites with increased strength and thermal conductivity
Authors: Sha Jin , Li Guo , Chen Xin , Xia Ping , Luo Riping , Yang Shanshan , Chen Tao , Ma Yulu , Xie Linsheng
Published: September 2014

The uniform dispersion of carbon nanotubes in epoxy resin is one of the key factors to achieve the composites with desirable mechanical and physical property enforcement. However, the widely used dispersion methods have their own respective limitations in pursuing satisfactory nanotube dispersion. Herein, a new dispersion approach, based on the synergetic effect of combining high speed internal mixing with running simultaneously continuous ultrasonication treatment, has been proposed. The dispersion of nanotubes was carried out in a high speed internal mixer, consisting of twin kneading block structured rotors and an integrated ultrasonic horn, which was intercalated into the central position between the twin rotors. At first, the FEM simulation was conducted to optimize the kneading element assembly and illuminate the geometry influence of the ultrasonic horn intercalation on the mixing flow. Afterwards, to confirm the feasibility of the approach, pristine MWCNTs (P‐CNTs), oxidation modified MWCNTs (M‐CNTs) and M‐CNTs/multilayer graphene nanoplatelets (MGPs) hybrid are dispersed into epoxy resin. The dispersion of each sample in its liquid epoxy state is investigated under transparent optical microscopy. More characterizations, including SEM, TG/DTA, tensile test, and thermal conductivity measurements, were conducted on the cured composites. Competitive reinforcements on mechanical tensile property and thermal conductivity were observed. Especially, at a 1.5 wt% M‐CNTs/MGPs hybrid content, the composite mechanical tensile strength and thermal conductivity were 47% and 30% higher than those of neat epoxy. This preliminary study demonstrates the feasibility and practicability of the proposed approach to achieving good MWCNTs dispersion and distribution in epoxy resin. POLYM. COMPOS., 37:870–880, 2016. © 2014 Society of Plastics Engineers
‘Hope for safe prenatal gene tests’. A content analysis of how the UK press media are reporting advances in non‐invasive prenatal testing
Authors: Lewis Celine , Choudhury Mahrufa , Chitty Lyn S.
Published: September 2014

Objective

To investigate how non‐invasive prenatal testing (NIPT) is portrayed in the UK press media.

Methods

Content analysis of the ten most widely circulated print/digital news sources in the UK.

Results

Seventy‐nine articles were identified focusing on NIPT for Down syndrome (n = 67) including single gene disorders (n = 5), whole genome sequencing (n = 8), NIPT technology (n = 2), Rhesus D (n = 1) and fetal sex determination (n = 1). The majority (63%) were in ‘serious’ papers. Test attributes were frequently cited (100%), in particular that NIPT is a blood test (89%) and avoids risk of miscarriage (56%). The main psychosocial benefit reported was increased time for decision‐making (15%). Concerns were discussed less frequently than benefits (39%), with increase in termination rates the main concern raised (23%). The majority of headlines (52%) projected a positive frame towards NIPT. Regarding overall framing of articles, over two thirds (68%) presented benefits and concerns or limitations; however, only a third (35%) were considered ‘balanced’.

Conclusion

Positive reporting of NIPT in the UK news media reflects the publics' broadly optimistic view towards genomic technology and prenatal testing. Health professionals should be aware that women may have incomplete information or misunderstandings about NIPT. Pre‐test counselling to ensure informed decision‐making is therefore important. © 2014 John Wiley & Sons, Ltd.
Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
Authors: Fox Stephen J. , Dziedzic Jacek , Fox Thomas , Tautermann Christofer S. , Skylaris Chris‐Kriton
Published: September 2014

In drug optimization calculations, the molecular mechanics Poisson‐Boltzmann surface area (MM‐PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature. To assess the effect of the force field on the calculation of binding energies, in this article we use large‐scale density functional theory (DFT) calculations as an alternative method to evaluate the energies of the configurations in a “QM‐PBSA” approach. Our DFT calculations are performed with a near‐complete basis set and a minimal parameter implicit solvent model, within the self‐consistent calculation, using the ONETEP program on protein–ligand complexes containing more than 2600 atoms. We apply this approach to the T4‐lysozyme double mutant L99A/M102Q protein, which is a well‐studied model of a polar binding site, using a set of eight small aromatic ligands. We observe that there is very good correlation between the MM and QM binding energies in vacuum but less so in the solvent. The relative binding free energies from DFT are more accurate than the ones from the MM calculations, and give markedly better agreement with experiment for six of the eight ligands. Furthermore, in contrast to MM‐PBSA, QM‐PBSA is able to correctly predict a nonbinder. Proteins 2014; 82:3335–3346. © 2014 Wiley Periodicals, Inc.
Molecular assessment of predation by hoverflies (Diptera: Syrphidae) in Mediterranean lettuce crops
Authors: Gomez‐Polo Priscila , Alomar Oscar , Castañé Cristina , Lundgren Jonathan G , Piñol Josep , Agustí Nuria
Published: September 2014

BACKGROUND

Hoverflies (Diptera: Syrphidae) are generalist predators of a great variety of pests. Nasonovia ribisnigri (Hemiptera: Aphididae) and Frankliniella occidentalis (Thysanoptera: Thripidae) are two common pests in Mediterranean lettuce crops, where they occur alongside alternative prey (e.g. Collembola). A semi‐field experiment was conducted in an experimental lettuce plot where hoverfly predation on N. ribisnigri, F. occidentalis and Collembola was studied by conventional PCR and qPCR using specific primers, as well as by next‐generation sequencing (NGS) in order to reveal other potential trophic interactions.

RESULTS

Trophic linkages between hoverflies and N. ribisnigri were the strongest both in spring and summer. F. occidentalis and Collembolans were also detected in both seasons, but with less frequency. qPCR detected a higher frequency of consumption than conventional PCR when both tests were run at optimal conditions. NGS analyses showed intraguild predation on other hoverfly species, as well as on anthocorids, spiders and even aphid parasitoids.

CONCLUSIONS

Conventional PCR and qPCR provided important insights into Mediterranean hoverfly species predation on target pest and non‐pest prey. NGS gave a complementary approach revealing a broader diet of these predators within the studied ecosystem. © 2014 Society of Chemical Industry
Novel control methods for insect pests: development of a microencapsulation procedure for proteinaceous bioactives intended for oral delivery
Authors: Richards Elaine H , Wontner‐Smith Tim , Bradish Hannah , Dani M Paulina , Cotterill Jane V
Published: September 2014

BACKGROUND

The objective was to develop an environmentally favourable microcapsule suitable for delivery of proteinaceous bioactive agents (‘bioinsecticides’) to pest insects.

RESULTS

Utilising feeding bioassays, we determined that microspheres made of alginate can be produced in a variety of sizes and are palatable and non‐toxic to larvae of the lepidopteran pest Lacanobia oleracea. Dehydrated microspheres were also readily ingested by larvae. Using a novel feeding bioassay and alginate microspheres containing a fluorescent marker material (coumarin 7 encapsulated in styrene maleic anhydride beads), we determined that the microspheres successfully deliver the marker to the insect gut. Moreover, the alginate microspheres rapidly break down in the alkaline conditions of the insect gut and release their contents, the beads passing through the gut in 2–3 h. Using bovine serum albumin as a test protein and western blotting, it was determined that alginate can successfully encapsulate protein, and that the microspheres can be stored in a CaCl2 solution for up to 24 days without extensive leakage. Importantly, it was also determined that alginate and the microsphere‐making procedure developed do not inactivate rVPr1 (an insect immunosuppressive protein and potential bioinsecticide).

CONCLUSIONS

An alginate‐based microsphere has potential to deliver the proteinaceous bioactive rVPr1 to pest insects. © 2014 Crown copyright. Pest Management Science © 2014 Society of Chemical Industry
A Bipedal DNA Motor that Travels Back and Forth between Two DNA Origami Tiles
Authors: Liber Miran , Tomov Toma E. , Tsukanov Roman , Berger Yaron , Nir Eyal
Published: September 2014

In this work, the successful operation of a dynamic DNA device constructed from two DNA origami building blocks is reported. The device includes a bipedal walker that strides back and forth between the two origami tiles. Two different DNA origami tiles are first prepared separately; they are then joined together in a controlled manner by a set of DNA strands to form a stable track in high yield as confirmed by single‐molecule fluorescence (SMF). Second, a bipedal DNA motor, initially attached to one of the two origami units and operated by sequential interaction with “fuel” and “antifuel” DNA strands, moves from one origami tile to another and then back again. The operational yield, measured by SMF, was similar to that of a motor operating on a similar track embedded in a single origami tile, confirming that the transfer across the junction from one tile to the other does not result in dissociation that is any more than that of steps on a single tile. These results demonstrate that moving parts can reliably travel from one origami unit to another, and it demonstrates the feasibility of dynamic DNA molecular machines that are made of more than a single origami building block. This study is a step toward the development of motors that can stride over micrometer distances.
Pragmatism versus Idealism: Understanding the Negotiating Practices in China and India
Authors: Worm Verner D. , Kumar Rajesh
Published: September 2014

China and India are now emerging as major players in the new international economic order. Their economies are growing at a rapid pace, and increasingly foreign investors are flocking to these countries to capitalize on the emerging opportunities. Although economic and social transformation is under way in these societies, this transformation is occurring within a backdrop of an institutional context that is rather different from what is present in Western societies. We draw upon an institutional theory framework to compare and contrast China and India along the dimensions of the regulatory, normative, and the cognitive dimensions. The regulatory dimension refers to the restrictions or lack thereof that might impact foreign investors and/or the manner in which they are implemented. Normative dimension refers to the dominant cultural norms and values present in a given society, while cognitive dimension pertains to the acceptance or the lack thereof of foreign investment. These dimensions are then posited to impact on the negotiating processes that are characteristic of that society. We compare and contrast the negotiating practices in China with that of India and outline strategies through which foreign investors may manage the negotiating process in these countries more effectively. © 2014 Wiley Periodicals, Inc.
The Impact of Standard Protocol Implementation on the Quality of Colorectal Cancer Pathology Reporting
Authors: Ihnát Peter , Delongová Patricie , Horáček Jaroslav , Ihnát Rudinská Lucia , Vávra Petr , Zonča Pavel
Published: September 2014

Background

The aim of the study is to assess the influence of standardized protocol implementation on the quality of colorectal cancer histopathology reporting.

Methods

A standardized protocol was created based on the recommendations of The College of American Pathologists. The impact of this protocol was measured by comparing frequencies of assessed parameters in histopathology reports before and after implementation.

Results

In total, 177 histopathology reports were included in this study. The numbers of harvested lymph nodes were 12.4 ± 5.2 (colon) and 12.6 ± 5.4 (rectum) before protocol; and 17.1 ± 6.5 (colon), and 16.6 ± 7.0 after protocol implementation; differences were statistically significant. The recommended minimum of 12 lymph nodes was not achieved in 42.8 % (colon) and 45.7 % (rectum) of specimens before, and in 10.4 % (colon) and 17.7 % (rectum) of specimens after protocol implementation; differences were statistically significant. There were no differences in histopathology assessment of proximal and distal resection margins, grading assessment, TNM staging recording, and number of positive findings of microscopic tumor aggressiveness. The findings of tumor budding, tumor satellites, and assessment of microscopic tumor aggressiveness were more frequent after protocol implementation. Histopathology reports of rectal specimens contained assessments of the macroscopic quality of mesorectum, circumferential resection margin, and neoadjuvant therapy effect (if administered) only after protocol introduction.

Conclusions

A standardized protocol is a valuable and effective tool for improving the quality of histopathology reporting. Its implementation is associated with more precise specimen evaluation, higher numbers of harvested lymph nodes, and improved completeness of histopathology reports.
Lord–Wingersky Algorithm Version 2.0 for Hierarchical Item Factor Models with Applications in Test Scoring, Scale Alignment, and Model Fit Testing
Authors: Cai Li
Published: September 2014

Lord and Wingersky’s (Appl Psychol Meas 8:453–461, 1984) recursive algorithm for creating summed score based likelihoods and posteriors has a proven track record in unidimensional item response theory (IRT) applications. Extending the recursive algorithm to handle multidimensionality is relatively simple, especially with fixed quadrature because the recursions can be defined on a grid formed by direct products of quadrature points. However, the increase in computational burden remains exponential in the number of dimensions, making the implementation of the recursive algorithm cumbersome for truly high-dimensional models. In this paper, a dimension reduction method that is specific to the Lord–Wingersky recursions is developed. This method can take advantage of the restrictions implied by hierarchical item factor models, e.g., the bifactor model, the testlet model, or the two-tier model, such that a version of the Lord–Wingersky recursive algorithm can operate on a dramatically reduced set of quadrature points. For instance, in a bifactor model, the dimension of integration is always equal to 2, regardless of the number of factors. The new algorithm not only provides an effective mechanism to produce summed score to IRT scaled score translation tables properly adjusted for residual dependence, but leads to new applications in test scoring, linking, and model fit checking as well. Simulated and empirical examples are used to illustrate the new applications.
A Cohort Model of Fertility Postponement
Authors: Goldstein Joshua R. , Cassidy Thomas
Published: September 2014

We introduce a new formal model in which demographic behavior such as fertility is postponed by differing amounts depending only on cohort membership. The cohort-based model shows the effects of cohort shifts on period fertility measures and provides an accompanying tempo adjustment to determine the period fertility that would have occurred without postponement. Cohort-based postponement spans multiple periods and produces “fertility momentum,” with implications for future fertility rates. We illustrate several methods for model estimation and apply the model to fertility in several countries. We also compare the fit of period-based and cohort-based shift models to the recent Dutch fertility surface, showing how cohort- and period-based postponement can occur simultaneously.
Ultra‐high resolution crystal structure of recombinant caprine β‐lactoglobulin
Authors: Crowther Jennifer M. , Lassé Moritz , Suzuki Hironori , Kessans Sarah A. , Loo Trevor S. , Norris Gillian E. , Hodgkinson Alison J. , Jameson Geoffrey B. , Dobson Renwick C.J.
Published: September 2014

β‐Lactoglobulin (βlg) is the most abundant whey protein in the milks of ruminant animals. While bovine βlg has been subjected to a vast array of studies, little is known about the caprine ortholog. We present an ultra‐high resolution crystal structure of caprine βlg complemented by analytical ultracentrifugation and small‐angle X‐ray scattering data. In both solution and crystalline states caprine βlg is dimeric (K
D
< 5 μM); however, our data suggest a flexible quaternary arrangement of subunits within the dimer. These structural findings will provide insight into relationships among structural, processing, nutritional and immunological characteristics that distinguish cow's and goat's milk.