bluuebunny/crossref_metadata_2025 huggingface dataset:
Design and Synthesis of N‐Aryl Isothioureas as a Novel Class of Gastric H+/K+‐ATPase Inhibitors
Authors: Ma Chao , Wu Anhui , Wu Yongqi , Ren Xuhong , Cheng Maosheng
Published: October 2013

To find new H+/K+‐ATPase inhibitors for the treatment of peptic ulcer disease, a series of novel N‐aryl isothiourea derivatives were synthesized and their structures were identified by 1H NMR and GC‐MS. The effects of these compounds on inhibiting gastric acid secretion were evaluated by the guinea pig stomach mucous membrane study with pantoprazole magnesium as a positive control. The results showed that, of the 37 N‐aryl isothiourea compounds synthesized, 20 compounds have comparable or stronger gastric acid inhibitory activities than that of pantoprazole magnesium. The quantitative structure–activity relationships (QSARs) of the N‐aryl isothiourea compounds were also studied by comparative molecular field analysis (CoMFA) computation, and the model structure that was supposed to give more powerful bioactivities was finally predicted.
Sliding Mode Control for Uncertain Switched Systems with Partial Actuator Faults
Authors: Liu Yonghui , Niu Yugang , Lam James , Zhang Baoyong
Published: October 2013

This paper considers the sliding mode control for a class of uncertain switched systems with partial actuator faults. By employing a weighted sum of the input matrices, a common integral sliding surface is designed. Moreover, the exponential stability of the sliding mode dynamics is analyzed by adopting the multiple Lyapunov function method and the average dwell time strategy. It is shown that the state trajectory can be driven onto the proposed sliding surface despite the presence of parameter uncertainties, external disturbances, and actuator faults. A numerical example is given to demonstrate the effectiveness of the proposed method.
The application of anti‐ESAT‐6 monoclonal antibody fluorescent probe in ex vivo near‐infrared fluorescence imaging in mice with pulmonary tuberculosis
Authors: Feng Feng , Zhang Haoling , Zhu Zhaoqin , Li Cong , Shi Yuxin , Zhang Zhiyong
Published: October 2013

Here, we aimed to assess the feasibility of anti‐ESAT‐6 monoclonal antibody (mAb) coupling with IR783 and rhodamine fluorescent probe in the detection of ESAT‐6 expression in tuberculosis tissue of mice using near‐infrared fluorescence imaging. IR783 and rhodamine were conjugated to the anti‐ESAT‐6 mAb or IgG. Mice in the experimental group were injected with fluorescence‐labeled mAb probe, and mice in the control group were injected with fluorescence‐labeled non‐specific IgG antibody. Twenty‐four hours later, the lung tissue of mice was examined using ex vivo near‐infrared fluorescence imaging. In addition, the contrast‐to‐noise ratio (CNR) was calculated by measuring the signal intensities of the pulmonary lesions, normal lung tissue and background noise. The frozen lung tissue section was examined under fluorescence microscopy and compared with hemoxylin and eosin (HE) staining. The ex vivo near‐infrared fluorescence imaging showed that the fluorescence signal in the lung tuberculosis lesions in the experimental group was significantly enhanced, whereas there was only a weak fluorescence signal or even no fluorescence signal in the control group. CNR values were 64.40 ± 7.02 (n = 6) and 8.75 ± 3.87 (n = 6), respectively (t = 17.01, p < 0.001). The fluorescence accumulation distribution detected under fluorescence microscopy was consistent with HE staining of the tuberculosis region. In conclusion, anti‐ESAT‐6 mAb fluorescent probe could target and be applied in specific ex vivo imaging of mice tuberculosis, and may be of further use in tuberculosis in living mice. Copyright © 2013 John Wiley & Sons, Ltd.
Amount and intensity of daily living activities in Charcot–Marie–Tooth 1A patients
Authors: Menotti Federica , Laudani Luca , Damiani Antonello , Macaluso Andrea
Published: October 2013

Background

Charcot–Marie–Tooth 1A (CMT1A) patients show a reduction of spontaneous activities of daily living measured by means of questionnaires or pedometers, which are quite inaccurate compared to recent measurement techniques.

Aim

The study aimed at quantifying daily living activities in CMT1A patients by means of inertial sensors, which give information not only on the amount but also on the intensity of these activities.

Materials and methods

Time and count (amount), and velocity and power (intensity) of 24 h daily living activities were measured in eight patients (20–48 years; Barthel >90; Tinetti >20) and eight healthy individuals, matched for age and gender, by means of a wearable inertial sensor device.

Results

There were no differences between patients and controls in the 24‐h distance covered and count of steps. However, count of step climbing and sit to stand were lower in patients than in controls (139.93 ± 141.66 vs. 341.06 ± 164.07 n and 58.23 ± 7.82 vs. 65.81 ± 4.75 n, respectively; P < 0.05) as well as mean daily step‐climbing and walking velocities (1.07 ± 0.17 vs. 1.21 ± 0.10 m/sec and 1.16 ± 0.31 vs. 1.87 ± 0.50 m/sec, respectively; P < 0.05). In CMT1A patients there was a positive correlation between strength of the knee extensor muscles and both count of steps climbed (R = 0.80) and sit to stand (R = 0.79).

Discussion and conclusion

The reduced ability of CMT1A patients to carry out activities at high intensity, which was correlated with strength, suggests that strength training might be a rehabilitation tool for improving the 1 ability to carry out these activities.
Motivational dimensions of inpatient aggression
Authors: Urheim Ragnar , Rypdal Knut , Melkevik Ole , Hoff Helge Andreas , Mykletun Arnstein , Palmstierna Tom
Published: October 2013

Background

Recent studies have suggested that functional classifications of aggression should be used to improve the understanding of the heterogeneity of aggression and its management, among inpatients in psychiatric hospitals.

Aims

Our aim was to examine a theoretically derived three‐factor model for conceptualising aggressive incidents by inpatients as irritable, instrumental or defensive.

Methods

As part of the routine assessments in a forensic psychiatric high security ward, staff filled out a questionnaire on motives for aggression after all violent incidents. A total of 1652 incidents from 28 patients were analysed by means of exploratory and confirmatory factor analyses.

Results

Support was found for the three‐factor model. For the most part, the scale items loaded on the factors as predicted, and the model was able to explain 61% of the data variance. Irritable incidents were the most common, but elevated scores for instrumental characteristics were found as well. High psychopathy scores were associated with incidents scoring high values on both irritable and instrumental dimensions, and low values on the defensive dimensions.

Conclusions

Confirming these three dimensions of inpatient aggressive incidents may help caregivers' understanding of aggressive behaviour. If confirmed in future studies, this dimensional approach may prove useful for the management of aggressive inpatients. Copyright © 2013 John Wiley & Sons, Ltd.
Motivations for Corporate Sustainability Management: Contrasting Survey Results and Implementation
Authors: Windolph Sarah Elena , Harms Dorli , Schaltegger Stefan
Published: October 2013

This paper compares empirical findings on the implementation of sustainability management with the results of earlier surveys on corporate motivations to deal with sustainability. We analyze the relevance of three different motivations, i.e. seeking corporate legitimacy, market success, and internal improvement. This is accomplished by matching these motivations with empirical findings on the engagement of functional areas. The underlying rationale is that differences in the engagement of functional areas can be expected to depend on the overall corporate motivation for sustainability management. Our analysis shows low engagement in finance and accounting, whereas the public relations department is actively engaged. Since this functional area commonly aims to legitimize corporate activities, this finding contradicts the results of earlier studies which concluded that legitimacy is not an important motivation for sustainability. We discuss reasons for these contradictions and derive implications for future research and business activities. Copyright © 2013 John Wiley & Sons, Ltd and ERP Environment
Typical and atypical anorexia nervosa in a Japanese sample
Authors: Nakai Yoshikatsu , Nin Kazuko , Teramukai Satoshi , Taniguchi Ataru , Fukushima Mitsuo , Wonderlich Stephen A.
Published: October 2013

Objective

We examined the existence of nonfat‐phobic anorexia nervosa (NFP‐AN) and fat‐phobic AN, with no evidence of distortions related to body shape and weight (AN‐NED), in a Japanese sample and studied eating disorder pathology and psychopathology in NFP‐AN and AN‐NED.

Method

The study participants were 200 (52.2%) women with typical AN, 86 (22.5%) women with NFP‐AN, and 97 (25.3%) women with AN‐NED. Diagnosis of the three types of AN was made by structured clinical interviews. The Eating Attitudes Test (EAT) and the Eating Disorder Inventory (EDI) were administered to all the participants.

Results

There were significant differences among the three groups in terms of duration of illness, maximum and minimum BMIs and AN subtypes. There was no transition from the NFP‐AN and AN‐NED groups to the typical AN group during the 2‐ to 7‐year follow‐up period. There were significant differences among the three groups in scores of the EAT, the EDI total, and all the subscales of the EDI.

Discussion

Besides typical AN, there were two types of atypical AN in terms of fat phobia and body image disturbance in this Japanese sample. The findings of the current study suggest that there may be significant differences among the three groups in terms of eating disorder pathology and psychopathology. © 2013 Wiley Periodicals, Inc. (Int J Eat Disord 2014; 47:130–137)
The magnitude of local adaptation under genotype‐dependent dispersal
Authors: Bolnick Daniel I. , Otto Sarah P.
Published: October 2013

Dispersal moves individuals from patches where their immediate ancestors were successful to sites where their genotypes are untested. As a result, dispersal generally reduces fitness, a phenomenon known as “migration load.” The strength of migration load depends on the pattern of dispersal and can be dramatically lessened or reversed when individuals move preferentially toward patches conferring higher fitness. Evolutionary ecologists have long modeled nonrandom dispersal, focusing primarily on its effects on population density over space, the maintenance of genetic variation, and reproductive isolation. Here, we build upon previous work by calculating how the extent of local adaptation and the migration load are affected when individuals differ in their dispersal rate in a genotype‐dependent manner that alters their match to their environment. Examining a one‐locus, two‐patch model, we show that local adaptation occurs through a combination of natural selection and adaptive dispersal. For a substantial portion of parameter space, adaptive dispersal can be the predominant force generating local adaptation. Furthermore, genetic load may be largely averted with adaptive dispersal whenever individuals move before selective deaths occur. Thus, to understand the mechanisms driving local adaptation, biologists must account for the extent and nature of nonrandom, genotype‐dependent dispersal, and the potential for adaptation via spatial sorting of genotypes.
Effect of reservoir‐derived plankton released from dams on particulate organic matter composition in a tailwater river (Uji River, Japan): source partitioning using stable isotopes of carbon and nitrogen
Authors: Ock Giyoung , Takemon Yasuhiro
Published: October 2013

We estimated the contribution of reservoir‐derived plankton released from an upstream dam to particulate organic matter (POM) relative to terrestrial allochthonous (fallen leaves) and instream autochthonous (downstream epilithic algae) sources in the Uji River, Japan, to investigate the influence of the reservoir plankton on downstream POM composition. Four types of POM such as suspended fine, suspended coarse, benthic fine and benthic coarse POM were collected and then analyzed using two types of mixing models combining δ13C–δ15N: a standard linear model (SLM) and a concentration‐weighted model (CWM), which are compared with the microscopic examination. Results demonstrate that the three trophic sources were isotopically distinct, and all POM samples are plotted inside the mixing triangle defined by the three end members in the δ13C–δ15N biplot. SLM underestimated the terrestrial source contribution and overestimated that of the reservoir plankton, suggesting that despite popular application of the SLM method, CWM was more appropriate for the source partitioning of riverine POM particularly in the case where large differences in source concentrations of C and N are present. Reservoir plankton contribution was highest in suspended fine POM (S‐FPOM), accounting for 47%. Nitrogen in S‐FPOM was found to be supplied mostly by the reservoir plankton (68%). These results collectively suggest that reservoir plankton from dams can greatly influence downstream S‐FPOM composition and play a role in supplying nitrogen to tailwater ecosystems. Our findings on the riverine POM source partitioning in a tailwater channel should be useful in assessing downstream heterotrophic food webs and nutrient transport in response to the plankton‐derived POM originating from upstream reservoirs. Copyright © 2013 John Wiley & Sons, Ltd.
Induced and thymus‐derived Foxp3+ regulatory T cells share a common niche
Authors: Huang Yi‐Ju , Haist Verena , Baumgärtner Wolfgang , Föhse Lisa , Prinz Immo , Suerbaum Sebastian , Floess Stefan , Huehn Jochen
Published: October 2013

Foxp3+ regulatory T (Treg) cells, which play a central role for the maintenance of immune homeostasis and self‐tolerance, are known to be both generated in the thymus (thymus‐derived, tTreg cells) and in the periphery, where they are converted from conventional CD4+ T cells (induced Treg (iTreg) cells). Recent data suggest a division of labor between these two Treg‐cell subsets since their combined action was shown to be essential for protection in inflammatory disease models. Here, using the transfer colitis model, we examined whether tTreg cells and iTreg cells fill different niches within the CD4+ T‐cell compartment. When naive T cells were co‐transferred with either pure tTreg cells or with a mixture of tTreg cells and iTreg cells, induction of Foxp3+ Treg cells from naive T cells was not hampered by preoccupation of the Treg‐cell niche. Using neuropilin‐1 (Nrp1) as a surface marker to separate tTreg cells and iTreg cells, we demonstrate that tTreg cells and iTreg cells alone can completely fill the Treg‐cell niche and display comparable TCR repertoires. However, when transferred together Nrp1+ tTreg cells outcompeted Nrp1− iTreg cells and dominated the Treg‐cell compartment. Taken together, our data suggest that tTreg cells and iTreg cells share a common peripheral niche.
Contrasting cyclo‐P3 Ligand Transfer Reactivity of Valence‐Isoelectronic Aryloxide Complexes [(P3)Nb(ODipp)3]– and [(P3)W(ODipp)3]
Authors: Breunig Jens M. , Tofan Daniel , Cummins Christopher C.
Published: October 2013

Reduction of mer‐Cl3W(ODipp)3 with Na/Hg in the presence of P4 in toluene afforded the orange complex (η3‐P3)W(ODipp)3 (δ = –156 ppm, 10 % isolated yield). Unlike the valence‐isoelectronic anion [(η3‐P3)Nb(ODipp)3]–, treatment with AsCl3 of the neutral (η3‐P3)W(ODipp)3 did not transfer the cyclo‐P3 ligand to generate AsP3. Instead, this complex underwent aryloxide ligand transfer to form the red complex (η3‐P3)W(Cl)(ODipp)2(THF) (δ = –143 ppm, 32 % isolated yield).
Karyotype analysis in some species of Consolida (Ranunculaceae) from Iran
Authors: Tavassoli Akhtar , Pakravan Maneezheh , Kiarostami Khadijeh , Poorhabibian Roghayeh
Published: October 2013

Consolida (dc.) S. F. Gray belongs to Ranunculaceae. The genus includes about 52 species worldwide. Here we report the diploid chromosome number and chromosome size and morphology for six Consolida species. For C. anthoroidea, C. leptocarpa, C. paradoxa and C. rugulosa the diploid chromosome number is reported for the first time. All investigated species have a diploid chromosome number of 2n = 2x = 16, except for C. persica having 2n = 2x = 14. The karyotypes of all six taxa are asymmetric, consisting of all four major chromosome types: metacentric, submetacentric, subtelocentric and telocentric chromosome type. However, considering the karyotype formula, all six species could be distinguished. In all taxa, metacentric chromosome pair 1 possesses a satellite. The only exception is C. rugulosa having an additional satellite positioned on metacentric chromosome pair 2. Karyotype data allow the separation of Aconitella from Consolida. Karyotype data plus morphological evidence support the reduction of C. paradoxa to formae level of C. rugulosa. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Incidental thyroid nodules in patients with primary hyperparathyroidism
Authors: Phillips David J. , Kutler David I. , Kuhel William I.
Published: October 2013

Background

It is desirable to detect neoplastic thyroid disease before proceeding with surgical therapy for hyperparathyroidism so that both conditions can be treated with a single operation.

Methods

Between March 1998 and June 2009, 227 patients with primary hyperparathyroidism were treated with surgical therapy. Of these, 217 were evaluated preoperatively with a modified 4‐dimensional CT and ultrasonography. The medical records of these patients were reviewed in order to document the incidence and significance of thyroid pathology in this cohort of patients.

Results

Thyroid nodules were identified in 159 of the 217 patients (73.3%). Nine of 217 patients (4.1%) were treated with either a partial or a total thyroidectomy at the time of parathyroidectomy. Three of these patients had papillary thyroid carcinoma, 1 had a Hurthle cell carcinoma, and 1 had an incidental micropapillary thyroid carcinoma.

Conclusion

The rate of clinically significant thyroid malignancy in patients undergoing surgical treatment of primary hyperparathyroidism was 1.8%. © 2014 Wiley Periodicals, Inc. Head Neck 36: 1763–1765, 2014
ENERGY EFFICIENCY EVALUATION IN MANUFACTURING THROUGH AN ONTOLOGY‐REPRESENTED KNOWLEDGE BASE
Authors: Wicaksono Hendro , Jost Fabian , Rogalski Sven , Ovtcharova Jivka
Published: October 2013

Improving energy efficiency in a manufacturing company through an energy management system requires active participation of different stakeholders and involvement of different organizational entities and technical processes. Interoperability of stakeholders and entities is the key factor to achieve a successful implementation of an energy management system. Researchers have been developing approaches in applying ontologies to address interoperability issues among humans as well as machines. Ontologies have also been used for knowledge representation in different domains, such as energy management and manufacturing. In recent years, researchers have developed knowledge‐based intelligent energy management systems in buildings, especially households, which use ontologies for knowledge representation. In the manufacturing domain, ontologies have been used for knowledge management in order to provide a common formal understanding between the stakeholders, who have different background knowledge. This paper proposes an approach to apply ontology to allow knowledge‐based energy efficiency evaluation in manufacturing companies. The ontology provides a formal knowledge representation that addresses the interoperability issues due to different human stakeholders as well as machines involved in the energy management system of the company. This paper also describes the methods used to construct and to process the ontology. Copyright © 2013 John Wiley & Sons, Ltd.
Treatment of peripheral neuropathic pain by topical capsaicin: Impact of pre‐existing pain in the QUEPP‐study
Authors: Maihöfner C.G. , Heskamp M.‐L.S.
Published: October 2013

Background

This study evaluates the impact of the duration of pre‐existing peripheral neuropathic pain on the therapeutic response to the capsaicin 8% cutaneous patch.

Methods

The non‐interventional QUEPP (QUTENZA – safety and effectiveness in peripheral neuropathic pain) study evaluated the effectiveness of QutenzaTM in 1044 non‐diabetic patients with peripheral neuropathic pain, who received a single application. Follow‐up visits were scheduled at weeks 1–2, 4, 8 and 12. A pre‐defined co‐analysis of changes in average pain intensity was performed based on the duration of pre‐existing pain.

Results

In patients with pre‐existing pain for <6 months, the mean relative change of the numeric pain rating scale score on days 7–14 to week 12 versus baseline was −36.6% [4.6 standard error of the mean (SEM); n = 105], −25.1% (1.9 SEM; n = 311) in patients with pain duration of 6 months to 2 years, −22.3% (1.6 SEM; n = 391) in patients with pain for >2–10 years, and −19.2% (2.6 SEM; n = 99) in patients with pain for >10 years. Thirty percent and 50% responder rates were 61.7% and 39.3% in patients with pre‐existing pain for <6 months, 42.3% and 23.3% in patients with pain for 6 months to 2 years, 40.9% and 21.6% in patients with pain for >2–10 years, and 32.3% and 14.1% in patients with pain for >10 years.

Conclusions

The highest treatment response to the capsaicin 8% cutaneous patch was observed in patients with a history of pre‐existing peripheral neuropathic pain of less than 6 months, suggesting that early initiation of topical treatment might be indicated.
A polarizable dipole–dipole interaction model for evaluation of the interaction energies for NH···OC and CH···OC hydrogen‐bonded complexes
Authors: Li Shu‐Shi , Huang Cui‐Ying , Hao Jiao‐Jiao , Wang Chang‐Sheng
Published: October 2013

In this article, a polarizable dipole–dipole interaction model is established to estimate the equilibrium hydrogen bond distances and the interaction energies for hydrogen‐bonded complexes containing peptide amides and nucleic acid bases. We regard the chemical bonds NH, CO, and CH as bond dipoles. The magnitude of the bond dipole moment varies according to its environment. We apply this polarizable dipole–dipole interaction model to a series of hydrogen‐bonded complexes containing the NH···OC and CH···OC hydrogen bonds, such as simple amide‐amide dimers, base‐base dimers, peptide‐base dimers, and β‐sheet models. We find that a simple two‐term function, only containing the permanent dipole–dipole interactions and the van der Waals interactions, can produce the equilibrium hydrogen bond distances compared favorably with those produced by the MP2/6‐31G(d) method, whereas the high‐quality counterpoise‐corrected (CP‐corrected) MP2/aug‐cc‐pVTZ interaction energies for the hydrogen‐bonded complexes can be well‐reproduced by a four‐term function which involves the permanent dipole–dipole interactions, the van der Waals interactions, the polarization contributions, and a corrected term. Based on the calculation results obtained from this polarizable dipole–dipole interaction model, the natures of the hydrogen bonding interactions in these hydrogen‐bonded complexes are further discussed. © 2013 Wiley Periodicals, Inc.
Experimental determination of the range of binocular disparity for which stereoscopic fusion occurs at a viewing distance of 2.5 m for a stereoscopic TV
Authors: Kang Hyungoo , Hong Hyungki
Published: October 2013

The threshold for binocular disparity for which a participant can observe a clear stereoscopic image on a 3D TV using Patterned Retarder technology and polarizing eyeglasses is determined for a viewing distance of 2.5 m. An optotype, the letter “m” with a line thickness of 1.08 mm in the upward or downward direction, was used as the stereoscopic stimulus. Under the measurement conditions of the increase and decrease of binocular disparity of the stereoscopic stimulus, the binocular disparity thresholds for 40 participants were measured for the horizontal direction. Most of the participants were in their twenties. The thresholds were measured to be slightly larger for the condition of increasing binocular disparity compared with the condition of decreasing binocular disparity. Personal differences were measured to be noticeable.
Modification of Poly(allylamine) for Crosslinking by Borax
Authors: Oikonomou Evdokia K. , Audebeau Etienne , Norvez Sophie , Iliopoulos Ilias
Published: October 2013

A straightforward route to glycopolymers bearing pendent gluconic residues is presented. The functionalization of poly(allylamine) by gluconolactone in water gives rise to gluconamide‐substituted polymers within minutes at room temperature. The resulting polymers are characterized by 1H NMR. The grafting reaction is limited by competition with hydrolysis of gluconolactone, which is favoured when the pH increases. In presence of borax a hydrogel is obtained, which is attributed to the complexation of boron by the multivalent glycopolymer. In consequence these modified polymers could be used as rheology additives for aqueous formulations.
Manufacture and Characterization of Heat Resistant and Insulating New Composites Based on Novolac Resin – Carbon Fibers – Perlite
Authors: Kallergis George , Pisania Markella , Simitzis Johannis
Published: October 2013

Multifunctional polymeric matrix composites combining proper mechanical properties with thermal insulating properties were manufactured. Such new composites consist of carbon fibers in low volume proportion (15% v/v), novolac resin as matrix, hexamethylenetetramine as curing agent and perlite as additive. The incorporation of 10% w/w perlite instead of the corresponding amount of novolac in these composites leads to lower density, and simultaneously the bending strength and shear strength remain constant. The coefficient of thermal conductivity indicates that these composites have thermal insulating properties.
Micro/Nanotexturing and Bioactivation Strategies to Design Composite Scaffolds and ECM‐Like Analogues
Authors: Guarino Vincenzo , Raucci Maria Grazia , Ambrosio Luigi
Published: October 2013

The current landscape of bone regeneration research has focused on novel processing techniques for scaffolds and the employment of nanostructured and bioactive materials to trigger specific cell function in osteogenic way. The investigation of novel technological methods and materials may guide towards more promising and still unexplored strategies to fabricate innovative scaffolds for hard tissue regeneration. Here, we focus on recent advancements in the area of tissue‐engineered scaffold fabrication with emphasis on polymer/ceramic composites and micro and/or nanotexturing processes (i.e, electrospinning) as well as their combinations. In particular, different approaches based on the design of bioactive micro/nanonanocomposites, hybrids and nanofibers will be presented with some promise for engineering three‐dimensional ECM analogues of bone.
Role of Polylimonene as a Bio‐Based Additive in Thermal Oxidation of High Impact Polystyrene
Authors: Andriotis Eleftherios G. , Achilias Dimitris S.
Published: October 2013

D‐limonene, a naturally occurring product, was cationically polymerized in a reactor to form the bio‐based polylimonene. The polymerization products were used for the preparation of blends with a food‐contact polymer, High Impact Polystyrene (HIPS). Their thermal oxidation was further monitored by measuring the absorption of characteristic chemical groups using FTIR spectroscopy. The mechanism of polymer protection was investigated using generalized 2‐Dimensional Correlation Analysis. It was found that polylimonene functions as a mild antioxidant for HIPS since it is oxidized first, leading to a short term protection of the polymer.
Impact of weight loss on ankle‐brachial index and interartery blood pressures
Authors: Espeland Mark A. , Lewis Cora E. , Bahnson Judy , Knowler William C. , Regensteiner Judith G. , Gaussoin Sarah A. , Beavers Daniel , Johnson Karen C. ,   the Look AHEAD Research Group
Published: October 2013

Objective

To assess whether weight loss improves markers of peripheral artery disease and vascular stenosis.

Methods

The Action for Health in Diabetes randomized clinical trial compared intensive lifestyle intervention (ILI) for weight loss to a control condition of diabetes support and education (DSE) in overweight or obese adults with type 2 diabetes. Annual ankle and brachial blood pressures over four years were used to compute ankle‐brachial indices (ABIs) and to assess interartery blood pressure differences in 5018 participants.

Results

ILI, compared to DSE, produced 7.8% (Year 1) to 3.6% (Year 4) greater weight losses. These did not affect prevalence of low (<0.90) ABI (3.60% in DSE versus 3.14% in ILI; P = 0.20) or elevated (>1.40) ABI (7.52% in DSE versus 7.59% in ILI: P = 0.90), but produced smaller mean (SE) maximum interartery systolic blood pressure differences among ankle sites [19.7 (0.2) mmHg for ILI versus 20.6 (0.2) mmHg for DSE (P < 0.001)] and between arms [5.8 (0.1) mmHg for ILI versus 6.1 (0.1) mmHg for DSE (P = 0.01)].

Conclusions

Four years of intensive behavioral weight loss intervention did not significantly alter prevalence of abnormal ABI, however, it did reduce differences in systolic blood pressures among arterial sites.
Distributed computing and data storage in proteomics: Many hands make light work, and a stronger memory
Authors: Verheggen Kenneth , Barsnes Harald , Martens Lennart
Published: October 2013

Modern day proteomics generates ever more complex data, causing the requirements on the storage and processing of such data to outgrow the capacity of most desktop computers. To cope with the increased computational demands, distributed architectures have gained substantial popularity in the recent years. In this review, we provide an overview of the current techniques for distributed computing, along with examples of how the techniques are currently being employed in the field of proteomics. We thus underline the benefits of distributed computing in proteomics, while also pointing out the potential issues and pitfalls involved.
Capillary zone electrophoresis for analysis of complex proteomes using an electrokinetically pumped sheath flow nanospray interface
Authors: Sun Liangliang , Zhu Guijie , Yan Xiaojing , Champion Mathew M. , Dovichi Norman J.
Published: October 2013

The vast majority of proteomic studies employ RP‐HPLC coupled with MS/MS for analysis of the tryptic digest of a cellular lysate. This technology is quite mature, and typically provides identification of hundreds to thousands of peptides, which is used to infer the identity of hundreds to thousands of proteins. These studies usually require milligrams to micrograms of starting material. CZE provides an interesting alternative separation method based on a different separation mechanism than HPLC. CE received some attention for protein analysis beginning 25 years ago. Those efforts stalled because of the limited performance of the electrospray interfaces and the limited speed and sensitivity of mass spectrometers of that era. This review considers a new electrospray interface design coupled with Orbitrap Velos and linear Q‐trap mass spectrometers. CZE coupled with this interface and these detectors provides single shot detection of >1250 peptides from an Escherichia coli digest in less than 1 h, identification of nearly 5000 peptides from analysis of seven fractions produced by SPE of the E. coli digest in a 6 h total analysis time, low attomole detection limits for peptides generated from standard proteins, and high zeptomole detection limits for selected ion monitoring of peptides. Incorporation of an integrated on‐line immobilized trypsin microreactor allows digestion and analysis of picogram amounts of a complex eukaryotic proteome.
Structural insights into the aggregation behavior of Murraya koenigii miraculin‐like protein below pH 7.5
Authors: Selvakumar Purushotham , Sharma Nidhi , Tomar Prabhat Pratap Singh , Kumar Pravindra , Sharma Ashwani Kumar
Published: October 2013

Murraya koenigii miraculin‐like protein (MKMLP) gradually precipitates below pH 7.5. Here, we explore the basis for this aggregation by identifying the aggregation‐prone regions via comparative analysis of crystal structures acquired at several pH values. The prediction of aggregation‐prone regions showed the presence of four short peptides either in beta sheets or loops on surface of the protein. These peptides were distributed in two patches far apart on the surface. Comparison of crystal structures of MKMLP, determined at 2.2 Å resolution in pH 7.0 and 4.6 in the present study and determined at 2.9 Å in pH 8.0 in an earlier reported study, reveal subtle conformational differences resulting in gradual exposure of aggregation‐prone regions. As the pH is lowered, there are alterations in ionic interactions within the protein interactions of the chain with water molecules and exposure of hydrophobic residues. The analysis of symmetry‐related molecular interfaces involving one patch revealed shortening of nonpolar intermolecular contacts as the pH decreased. In particular, a decrease in the intermolecular distance between Trp103 of the aggregation‐prone peptide WFITTG (103–108) unique to MLPs was observed. These results demonstrated that aggregation occurs due to the cumulative effect of the changes in interactions in two aggregation‐prone defined regions. Proteins 2014; 82:830–840. © 2013 Wiley Periodicals, Inc.
Time‐dependent quantum transport theory and its applications to graphene nanoribbons
Authors: Xie Hang , Kwok Yanho , Zhang Yu , Jiang Feng , Zheng Xiao , Yan YiJing , Chen GuanHua
Published: October 2013

Time‐dependent quantum transport parameters for graphene nanoribbons (GNR) are calculated by the hierarchical equation of motion (HEOM) method based on the nonequilibrium Green's function (NEGF) theory [Xie et al., J. Chem. Phys. 137, 044113 (2012)]. In this paper, a new initial‐state calculation technique is introduced and accelerated by the contour integration for large systems. Some Lorentzian fitting schemes for the self‐energy matrices are developed to effectively reduce the number of Lorentzians and maintain good fitting results. With these two developments in HEOM, we have calculated the transient quantum transport parameters in GNR. We find a new type of surface state with delta‐function‐like density of states in many semi‐infinite armchair‐type GNR. For zigzag‐type GNR, a large overshooting current and slowly decaying transient charge are observed, which is due to the sharp lead spectra and the “even–odd” effect.
The role of vibrations in single‐molecule charge transport: A case study of oligoynes with pyridine anchor groups
Authors: Ballmann Stefan , Hieringer Wolfgang , Härtle Rainer , Coto Pedro B. , Bryce Martin R. , Görling Andreas , Thoss Michael , Weber Heiko B.
Published: October 2013

We report on measurements on molecular wires in single‐molecule junctions. The target is to identify vibrational signatures in the differential conductance spectra, which cannot be resolved for most molecular wires in the resonant transport regime. For the given molecules, we find indeed vibrational sidepeaks, which can be assigned to the longitudinal modes of the string‐like central motif of the molecule by comparison with density functional theory. These data corroborate that oligoyne wires are ideally suited for characterizing vibrational sidepeaks. A current increase as a consequence of vibrational decoherence observed for thiols is, however, not found due to the pyridine anchor group chosen in the present molecules.
DFT and k · p modelling of the phase transitions of lead and tin halide perovskites for photovoltaic cells
Authors: Even Jacky , Pedesseau Laurent , Jancu Jean‐Marc , Katan Claudine
Published: October 2013

3D hybrid organic perovskites, CH3NH3PbX3 (X = halogen), have recently been used to strongly improve the efficiency of dye sensitized solar cells (DSSC) leading to a new class of low‐cost mesoscopic solar cells. CsSnI3 perovskite can also be used for hole conduction in DSSC. Density functional theory and GW corrections are used to compare lead and tin hybrid and all‐inorganic perovskites. The room temperature optical absorption is associated to electronic transitions between the spin–orbit split‐off band in the conduction band and the valence band. Spin–orbit coupling is about three times smaller for tin. Moreover, the effective mass of relevant band edge hole states is small (0.17). The high temperature phase sequence of CsSnI3 leading to the room temperature orthorhombic phase and the recently reported phases of CH3NH3MI3 (where M = Pb, Sn) close to the room temperature, are also studied. Tetragonal distortions from the ideal cubic phase are analysed by a k · p perturbation, including spin–orbit effect. In addition, the non‐centrosymmetric phases of CH3NH3MI3 exhibit a splitting of the electronic bands away from the critical point. The present work shows that their physical properties are more similar to conventional semiconductors than to the absorbers used in DSSC. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Exposing the intricacies of pre‐service teacher education: Incorporating the insights of Freire and Bourdieu
Authors: Hooley Neil
Published: October 2013

All education proceeds within a complex array of epistemological and ontological factors that constitute a shifting and intricate learning environment for teachers, pre‐service teachers and school students alike. We have expanded a ‘praxis inquiry’ protocol into a ‘critical praxis’ protocol for use in pre‐service programs. A framework of collaborative practitioner research beginning with the community and cultural understandings of Freire has drawn us to the work of Bourdieu. Accordingly, we have introduced a process with pre‐service teachers of constructing a collaborative habitus–field analysis throughout the year. This tracks and details the changing experience of participants as they come to grips with their new world of classrooms and teacher education and provides a fertile delta of ideas, uncertainties and possibilities for continuing discourse. Based on this reflexive process, members of the research team have written brief ‘vignettes’ of their own changing understanding, following which other team members have written brief ‘commentaries’ as ongoing professional dialogue. Preliminary analysis of our own reflexive understanding suggests that specific characteristics of the critical praxis protocol such as practice imagined and practice re‐imagined are significant and that the complex mix of ideology critique, self‐reflexive consciousness and emancipatory action may only receive superficial consideration by teacher educators.
Extended nonlinear observer normal forms for a class of nonlinear dynamical systems
Authors: Boutat D.
Published: October 2013

Transforming a dynamical system by adding auxiliary dynamics is one of the most recent tools to design an observer. Dynamical systems that have the properties of admitting such transformation have been widely studied. Indeed, in the existing literature, several different types of geometrical and analytical characterizations of such dynamical systems have been established. However, one finds only a few examples on this topic. Therefore, the main focus of this paper is to characterize a class of single‐output dynamical systems that can be transformed by means of a change of coordinates into an extended nonlinear observer normal form. Furthermore, this class provides examples of systems that can be transformed adding to them more than one auxiliary dynamics. To our knowledge, examples on this last fact lack in the existing research literature on this topic. Copyright © 2013 John Wiley & Sons, Ltd.
Dehydration of the Sorel Cement Phase 3Mg(OH)2·MgCl2·8H2O studied by in situ Synchrotron X‐ray Powder Diffraction and Thermal Analyses
Authors: Runčevski Tomče , Dinnebier Robert E. , Freyer Daniela
Published: October 2013

Dehydration is an important process which affects the chemical, physical and mechanical properties of materials. This article describes the thermal dehydration and decomposition of the Sorel cement phase 3Mg(OH)2·MgCl2·8H2O, studied by in situ synchrotron X‐ray powder diffraction and thermal analyses. Attention is paid on the determination of the chemical composition and crystal structure of the lower hydrates, identified as the phases 3Mg(OH)2·MgCl2·5.4H2O and 3Mg(OH)2·MgCl2·4.6H2O. The crystal structure of 3Mg(OH)2·MgCl2·4.6H2O is solved and refined by the Rietveld method and a structural model for the 3Mg(OH)2·MgCl2·5.4H2O phase is given. These phases show statistical distribution of water molecules, hydroxide and chloride anions positioned as ligands on the magnesium octahedra. A structural scheme of the temperature induced transformations in the thermal range from 25 to 500 °C is presented.
K[Al4(PPh2)7PPh]: An AlII Phosphanide / Phosphinidene Intermediate on the Path to AlP Formation
Authors: Mayo Dennis H. , Peng Yang , DeCarlo Samantha , Li Xiang , Lightstone James , Zavalij Peter , Bowen Kit , Schnöckel Hansgeorg , Eichhorn Bryan
Published: October 2013

The reaction of metastable AlCl·(Et2O)n with potassium diphenylphosphanide results in the formation of the aluminum(II) phosphanide / phosphinidene K[Al4(PPh2)7PPh] compound, which is the first reported aluminum(II) phosphinidene complex. The AlII structure results from ligand decomposition and represents the first step in the conversion of AlPPh2 to AlP and biphenyl.
Mono‐ and Di‐Lanthanide Derivatives of 22‐Tungsto‐2‐antimonate(III), [Ln(H2O)4Sb2W21O72(OH)]10– and [Ln2(H2O)8Sb2W20O70)]8–
Authors: Ismail Amal H. , Bassil Bassem S. , Römer Isabella , Kortz Ulrich
Published: October 2013

Abstract. The mono‐lanthanide‐containing [Ln(H2O)4Sb2W21O72(OH)]10– (Ln = Yb (1), Lu (2)), and the di‐lanthanide‐containing [Ln2(H2O)8Sb2W20O70)]8– (Ln = Yb (3), Lu (4), Y (5)) have been synthesized in aqueous‐acidic media and characterized in the solid state. Polyanions 1 and 2 were prepared by reaction of Ln3+ ions with [Sb2W22O74(OH)2]12– (Sb2W22), whereas 3–5 were prepared by using the trilacunary 9‐tungstoantimonate(III) [B‐α‐SbW9O33]9– (SbW9). Polyanions 1–5 crystallized as sodium salts in the triclinic system, space group P$\bar{1}$. All compounds were characterized in the solid state by FTIR, single‐crystal XRD, TGA, and elemental analysis. Polyanions 1–5 contain the lacunary [Sb2W20O70]14– unit (Sb2W20), which is coordinated to either a lanthanide and a tungsten ion, leading to a structure with Cs symmetry in polyanions 1 and 2, or to two lanthanide ions, leading to a structure with idealized C2h symmetry, in polyanions 3–5.
Cost-effective production of recombinant human interleukin 24 by lactose induction and a two-step denaturing and one-step refolding method
Authors: Amirzada Muhammad Imran , Yu Minglei , Gong Xiaohai , Chen Yun , Zhu Ruiyu , Lei Jianyong , Jin Jian
Published: October 2013

Recombinant human interleukin 24 (rhIL24) is a member of the interleukin 10 (IL10) family of cytokines with novel therapeutic properties. Human IL24 possesses three N glycosylation sites and a disulfide bridge. The cost and composition of culture media is critical for commercial-scale production of recombinant proteins in E. coli. Addition of yeast extract and glucose to medium enhances rhIL24 production, and the use of lactose instead of IPTG for induction drops the cost and decreases toxicity. In addition, a two-step denaturing and one-step refolding (2DR) strategy improves rhIL24 production. The 2DR strategy replaces a more conventional approach for protein solubilization and refolding. LC–MS/MS provides definitive identification and quantitative information on rhIL24. Single-step purified rhIL24 displayed biological activity on HepG2 hepatocellular carcinoma cells, but no effect on L02 cells. Proliferation analysis suggests that rhIL24 may have potential use as a medication. In the present study, we developed a simple process for producing quality product with high purity. The expression and purification of rhIL24 described here may be a step towards inexpensive large-scale production.
Bioinformatics tools for genome mining of polyketide and non-ribosomal peptides
Authors: Boddy Christopher N
Published: October 2013

Microbial natural products have played a key role in the development of clinical agents in nearly all therapeutic areas. Recent advances in genome sequencing have revealed that there is an incredible wealth of new polyketide and non-ribosomal peptide natural product diversity to be mined from genetic data. The diversity and complexity of polyketide and non-ribosomal peptide biosynthesis has required the development of unique bioinformatics tools to identify, annotate, and predict the structures of these natural products from their biosynthetic gene clusters. This review highlights and evaluates web-based bioinformatics tools currently available to the natural product community for genome mining to discover new polyketides and non-ribosomal peptides.
SlnM gene overexpression with different promoters on natamycin production in Streptomyces lydicus A02
Authors: Wu Huiling , Liu Weicheng , Dong Dan , Li Jinjin , Zhang Dianpeng , Lu Caige
Published: October 2013

Natamycin is an important polyene macrolide antifungal agent produced by several Streptomyces strains and is widely used as a food preservative and fungicide in food, medicinal and veterinary products. In order to increase the yield of natamycin, this study aimed at cloning and overexpressing a natamycin-positive regulator, slnM2, with different promoters in the newly isolated strain Streptomyces lydicus A02, which is capable of producing natamycin. The slnM gene in S. lydicus is highly similar to gene pimM (scnRII), the pathway-specific positive regulator of natamycin biosynthesis in S. natalensis and S. chattanoogensis, which are PAS-LuxR regulators. Three engineered strains of S. lydicus, AM01, AM02 and AM03, were generated by inserting an additional copy of slnM2 with an ermEp* promoter, inserting an additional copy of slnM2 with dual promoters, ermEp* and its own promoter, and inserting an additional copy of slnM2 with its own promoter, respectively. No obvious changes in growth were observed between the engineered and wild-type strains. However, natamycin production in the engineered strains was significantly enhanced, by 2.4-fold in strain AM01, 3.0-fold in strain AM02 and 1.9-fold in strain AM03 when compared to the strain A02 in YEME medium without sucrose. These results indicated that the ermEp* promoter was more active than the native promoter of slnM2. Overall, dual promoters displayed the highest transcription of biosynthetic genes and yield of natamycin.
Enhancement of ansamitocin P-3 production in Actinosynnema pretiosum by a synergistic effect of glycerol and glucose
Authors: Gao Yang , Fan Yuxiang , Nambou Komi , Wei Liujing , Liu Zhijie , Imanaka Tadayuki , Hua Qiang
Published: October 2013

Ansamitocin P-3 (AP-3), a secondary metabolite produced by Actinosynnema pretiosum, is well known for its extraordinary antitumor properties and is broadly utilized in clinical research. Through this work, we found, for the first time, that the combination of glucose and glycerol as a mixed carbon source is an appropriate approach for enhancing the production of AP-3 by A. pretiosum. The amount yielded was about threefold that obtained with glucose as the sole carbon source. In order to better understand the mechanisms that channel glycerol metabolism towards AP-3 production, the activities of some key enzymes such as glucose-6-phosphate dehydrogenase, glucose-6-phosphate isomerase, phosphoglucomutase (PGM), and fructose 1,6-bisphosphatase were assessed. The results showed that glycerol affects the production of AP-3 by increasing PGM activity. Furthermore, qRT-PCR analysis revealed that transcriptional levels of structural genes asm14 and asm24, and primary genes amir5189 and amir6327 were up-regulated in medium containing glycerol.