bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis, Structural Characterisation and Solution Behaviour of High‐Symmetry Lanthanide Triflate Complexes with the Sterically Demanding Phosphine Oxides Cy3PO and tBu3PO
Authors: Coles Simon J. , Pitak Mateusz B. , Platt Andrew W. G.
Published: January 2017

The synthesis and characterisation of complexes formed from lanthanide trifluoromethanesulfonates [Ln(OTf)3] and tricyclohexylphosphine oxide (Cy3PO) or tri‐tert‐butylphosphine oxide (tBu3PO) are described. The structures of [Ln(H2O)5(Cy3PO)2]·2R3PO·(OTf)3 (Ln = Pr, Tm; R = Cy and Ln = Nd; R = tBu) are pentagonal bipyramidal with an equatorial plane of five H2O ligands and two axial Cy3PO ligands. The remaining Cy3PO molecules are H‐bonded to the coordinated water molecules, as are the triflate anions. NMR spectroscopy showed that the triflate ions remain associated with the complexes in CDCl3 solution. Lanthanide‐induced shifts in the 19F and 31P NMR spectra confirm that one structure is present for all the lanthanides with an additional structure for the heavier metals. The acidity of the complexes was examined by 31P NMR spectroscopic studies on the reactions between [Ln(H2O)5(Cy3PO)2]·2Cy3PO·(OTf)3 (Ln = La, Eu, Er, Lu) and phosphines PR3 (R = Ph, mesityl, Cy), Ph2PC2H4PPh2 and Ph2PC3H6PPh2. Protonation of the more basic phosphines and H‐bonding to the less basic phosphines is observed.
Molecular Switching of Copper Complexes with Quaterpyridine
Authors: Adamski Ariel , Osińska Małgorzata , Kubicki Maciej , Hnatejko Zbigniew , Consiglio Giuseppe , Patroniak Violetta
Published: January 2017

Invited for the cover of this issue is the group of Violetta Patroniak from Adam Mickiewicz University, Poznań, Poland. The cover image shows the use of a quaterpyridine molecular switch as part of a molecular machine, which is presented as a system of gears.
Three‐Component Povarov Reaction with Alcohols as Alkene Precursors: Efficient Access to 2‐Arylquinolines
Authors: Li Xinjian , Xing Qi , Li Pan , Zhao Jingjing , Li Fuwei
Published: January 2017

An atom‐economic and efficient approach to the synthesis of 2‐arylquinolines has been developed. The protocol involves an iron‐catalysed cascade N‐alkylation/aerobic oxidation/Povarov reaction, and the desired quinolines were prepared in moderate to excellent yields from readily accessible anilines, aldehydes, and EtOH/nPrOH, with water as the only side‐product. The aniline substrates also act as a recyclable transfer medium for EtOH/nPrOH through an in‐situ N‐alkylation/oxidation process. This makes EtOH/nPrOH an economical and environmentally friendly precursor of alkenes as well as the solvent.
Regioselective Synthesis of Benzo[h][1,6]‐naphthyridines and Chromenopyrazinones through Alkyne Cyclization
Authors: Hoplamaz Emre , Keskin Selbi , Balci Metin
Published: January 2017

A regioselective approach to the synthesis of benzo[h][1,6]‐naphthyridine and chromenopyrazinone derivatives was developed. The synthetic route to benzo[h][1,6]‐naphthyridines involves the N‐propargylation of aromatic aminobenzaldehydes, followed by reaction with propargylamine in the presence of DBU (1,8‐diazabicyclo[5.4.0]undec‐7‐ene). For the synthesis of chromenopyrazine and chromenopyrazinone derivatives, the acetonitrile group was introduced to salicylaldehyde derivatives, and a DBU‐promoted cyclization reaction between aldehydes and propargylamine gave the chromenopyrazines. The intramolecular heterocycloaddition reaction between the triple bond and the azadiene, which is formed as an intermediate, gave the desired structures.
Optimizing Current Terminals of 18 650 Lithium‐Ion Power Batteries under High Discharge Current
Authors: Duan Yushuang , Wu Hao , Huang Ling , Liu Lan , Zhang Yun
Published: January 2017

Nowadays, technology for the fabrication of batteries is critical in determining cell durability, especially for 18 650 power batteries. We report herein on the design of three types of electrode tabs serving as the current terminals of 18 650 full cells, including: one, the most common configuration in which one positive tab is located opposite to the negative tab; two, the more common configuration in which one positive tab is located in the middle, whereas the negative tab is located at the end; three, the optimal configuration in which two negative tabs are in parallel, whereas one positive tab is located in the middle. Among them, batteries with the type 3 tab configuration, owing to the smallest ohmic resistance, exhibit superior capacity retention of approximately 86 % at a discharge current of 7 C, which is much better than batteries with the common tab configuration (only 47 %). Besides, the optimized batteries could effectively suppress the decomposition of the electrolyte and loss of lithium from the cathode materials, which enabled excellent long‐term cycling stability (≈91 % capacity retention over 1000 cycles). The electrochemical degradation mechanism was also investigated. After the cycling test, the batteries with the optimal tab configuration showed the lowest increase in the impedance, the slightest cracks of the cathode materials, and the best structure integrity of the graphite anode than the two other counterparts.
Future energy and environment management using fuzzy linear programming including energy recovered from urban solid wastes (Case study: Iran country)
Authors: Nematian Javad , Farzi Yosef
Published: January 2017

Energy and energy management is one of the most important subjects which concerns all the countries around the world. As fossil fuels are depleted, attention toward other energy sources increases. Renewable energy sources have become one of the popular topics in this field. Although these sources are renewable by nature, several difficulties are faced when countries attempt to implement these systems. One of these problems is the changing efficiency of renewable energy sources due to availability and quality of the sources such as sunlight intensity, wind speed, and so on. This study considers various renewable energy sources and different needs in a country. Next, a linear programming model is used to optimize the problem in deterministic form. After that, because efficiency of RES is not deterministic, in this article, we use fuzzy linear programming to handle these difficulties. To achieve this, we transform our linear model to fuzzy linear programming using theorems from literature. In this study, we used six RES plus nuclear energy to meet different electricity demand. In the end to test our FLP model, a case study in Iran, which bifurcates this country to east and west sections, each with different energy potentials, is done and the results are presented. © 2017 American Institute of Chemical Engineers Environ Prog, 36: 953–966, 2017
A new approach for estimating seismic damage of buried water supply pipelines
Authors: Sakai H. , Pulido N. , Hasegawa K. , Kuwata Y.
Published: January 2017

Conventional damage prediction methods for lifeline structures are primarily based on peak ground motion measurements. However, line structures such as lifelines suffer damage that is mainly induced by the strain of the ground and therefore are likely to be vulnerable to sharp spatial changes in the ground motion. In this study, we propose a measure for evaluating the damage incurred by underground water supply pipelines based on the spatial gradient of the peak ground velocity (PGV), in an attempt to quantify the effects of the geospatial variabilities in the ground motion on pipeline damage. We investigated the spatial distribution of the damage caused to water pipelines during the Niigata‐ken Chuetsu earthquake on October 10, 2004 (Japan Meteorological Agency magnitude (MJMA) of 6.8) and the Kobe earthquake on January 17, 1995 (MJMA7.3) and compared the surveyed damage with the PGV distribution as well as with the gradients of the PGV calculated around the damage areas. For the Kobe earthquake, we used the PGV distribution obtained by the strong‐motion simulation performed by Matsushima and Kawase . In case of the Chuetsu earthquake, we estimated the ground motion using a broadband‐frequency‐based strong‐ground‐motion simulation method based on a multiasperity source model. In both cases, we calculated the gradients of the PGV along the geographical coordinates, with the amplitude of the PGV gradient vector being employed as the damage estimator. Our results show that the distribution of damage to underground water supply pipelines exhibits a greater correlation with the gradients of the PGV than with the PGV itself. Thus, the gradient of the PGV is a useful index for preparing initial‐screening hazard maps of underground facilities. Copyright © 2017 John Wiley & Sons, Ltd.
Influence of different adsorbates on the efficiency of thermochemical energy storage
Authors: Kohler Tobias , Müller Karsten
Published: January 2017

The main influencing parameter on the efficiency of adsorptive thermochemical energy storage is the efficiency of the desorption process, which is influenced by the process conditions, for example, desorption time and desorption temperature, and the working pair (adsorbent–adsorbate). Due to constrained process requirements, for example, hours of sun shine and low desorption temperatures available from a flat plate solar collector (333–373 K), the only possibility to increase the efficiency is to change the working pair. The reference working pair water–zeolite 13X needs high desorption temperatures of 500 K and high heat inputs per mass adsorbent (1080 kJ kg−1) in the desorption process to reach the maximum efficiency of 79 % and maximum energy density of 844 kJ kg−1. Therefore, the goal is to reach efficiencies in the same range as the maximum efficiency of water–zeolite 13X for desorption temperatures lower than 500 K with the usage of different adsorbates. Four systems of alcohol as adsorbate on activated carbon are compared with the reference working pair. The usage of alcohols on activated carbon allows for highly efficient adsorptive storage even at low desorption temperatures between 360 and 450 K. The maximum efficiency is shifted to higher desorption temperatures with increasing carbon chain length of the alcohol. At low desorption temperatures, the energy density and efficiency of methanol, ethanol, and propanol are higher than the energy density of the reference system. Hence, the alcohol systems on activated carbon are viable alternative approaches for regulating these process parameters.
Effects of acute buspirone administration on inhibitory control and sexual discounting in cocaine users
Authors: Strickland Justin C. , Bolin B. Levi , Romanelli Michael R. , Rush Craig R. , Stoops William W.
Published: January 2017

Objective

Cocaine users display deficits in inhibitory control and make impulsive choices that may increase risky behavior. Buspirone is an anxiolytic that activates dopaminergic and serotonergic systems and improves impulsive choice (i.e., reduces sexual risk‐taking intent) in cocaine users when administered chronically. We evaluated the effects of acutely administered buspirone on inhibitory control and impulsive choice.

Methods

Eleven subjects with a recent history of cocaine use completed this within‐subject, placebo‐controlled study. Subjects performed two cued go/no‐go and a sexual risk delay‐discounting task following oral administration of buspirone (10 and 30 mg), triazolam (0.375 mg; positive control), and placebo (negative control). Physiological and psychomotor performance and subject‐rated data were also collected.

Results

Buspirone failed to change inhibitory control or impulsive choice; however, slower reaction times were observed at the highest dose tested. Buspirone did not produce subject‐rated drug effects but dose‐dependently decreased diastolic blood pressure. Triazolam impaired psychomotor performance and increased ratings of positive subject‐rated effects (e.g., Like Drug).

Conclusions

These findings indicate that acutely administered buspirone has little impact on behavioral measures of inhibitory control and impulsive sexual decision‐making. Considering previous findings with chronic dosing, these findings highlight that the behavioral effects of buspirone differ as a function of dosing conditions.
Association study between the neurexin‐1 gene and tardive dyskinesia
Authors: Lanning Rachel , Lett Tristram A. , Tiwari Arun K. , Brandl Eva J. , de Luca Vincenzo , Voineskos Aristotle N. , Potkin Steven G. , Lieberman Jeffrey A. , Meltzer Herbert Y. , Müller Daniel J. , Remington Gary , Kennedy James L. , Zai Clement C.
Published: January 2017

Objective

Tardive dyskinesia (TD) is a motor side effect that may develop after long‐term antipsychotic treatment. Schizophrenia has recently been associated with the Neurexin‐1 (NRXN1) gene that codes for a cell adhesion molecule in synaptic communication.

Methods

This study examined five NRXN1 single‐nucleotide polymorphisms (SNPs) for possible association with the occurrence and severity of TD in 178 schizophrenia patients of European ancestry.

Results

We did not find these SNPs to be significantly associated with TD.

Conclusions

More research is needed with additional SNPs and in bigger samples before we can completely rule out the role of NRXN1 in TD.
Dopamine receptor type 2 (DRD2) and somatostatin receptor type 2 (SSTR2) agonists are effective in inhibiting proliferation of progenitor/stem‐like cells isolated from nonfunctioning pituitary tumors
Authors: Peverelli E. , Giardino E , Treppiedi D. , Meregalli M. , Belicchi M. , Vaira V. , Corbetta S. , Verdelli C. , Verrua E. , Serban A. L. , Locatelli M. , Carrabba G. , Gaudenzi G. , Malchiodi E. , Cassinelli L. , Lania A. G. , Ferrero S. , Bosari S. , Vitale G. , Torrente Y. , Spada A. , Mantovani G.
Published: January 2017

The role of progenitor/stem cells in pituitary tumorigenesis, resistance to pharmacological treatments and tumor recurrence is still unclear. This study investigated the presence of progenitor/stem cells in non‐functioning pituitary tumors (NFPTs) and tested the efficacy of dopamine receptor type 2 (DRD2) and somatostatin receptor type 2 (SSTR2) agonists to inhibit in vitro proliferation. They found that 70% of 46 NFPTs formed spheres co‐expressing stem cell markers, transcription factors (DAX1, SF1, ERG1) and gonadotropins. Analysis of tumor behavior showed that spheres formation was associated with tumor invasiveness (OR = 3,96; IC: 1.05–14.88, p = 0.036). The in vitro reduction of cell proliferation by DRD2 and SSTR2 agonists (31 ± 17% and 35 ± 13% inhibition, respectively, p < 0.01 vs. basal) occurring in about a half of NFPTs cells was conserved in the corresponding spheres. Accordingly, these drugs increased cyclin‐dependent kinase inhibitor p27 and decreased cyclin D3 expression in spheres. In conclusion, they provided further evidence for the existence of cells with a progenitor/stem cells‐like phenotype in the majority of NFPTs, particularly in those with invasive behavior, and demonstrated that the antiproliferative effects of dopaminergic and somatostatinergic drugs were maintained in progenitor/stem‐like cells.
Immunohistochemical detection of lymph node‐DTCs in patients with node‐negative HNSCC
Authors: Sproll Christoph , Freund Anna Karen , Hassel Andrea , Hölbling Marianne , Aust Verena , Storb Sebastian H. , Handschel Jörg , Teichmann Carina , Depprich Rita , Behrens Bianca , Neves Rui Pedro Lousa , Kübler Norbert R. , Kaiser Peter , Baldus Stephan E. , Tóth Csaba , Kaisers Wolfgang , Stoecklein Nikolas H.
Published: January 2017

This study was performed to systematically assess the prevalence, topography and prognostic impact of disseminated tumor cells (DTCs) in lymph nodes (LN) of patients with primary, regional and distant metastasis‐free head and neck squamous cell carcinoma (HNSCC) who underwent resection with elective neck dissection. From the routinely processed resection specimen, we could prospectively analyze a total of 1.137 exactly mapped LNs of 50 pN0‐HNSCC patients, classified as tumor free by routine histopathology. Three immunohistochemistry (IHC) assays using antibodies directed against CK5/14, a broad spectrum of CKs (1–8, 10, 14–16 and 19), and CD44v6, respectively, were applied on 4.190 LN sections to detect DTCs. The IHC results were correlated with clinicopathologic parameters and clinical follow‐up data. We detected seven micrometastases (MM) in five patients and 31 DTCs in 12 patients. Overall, 15 (30%) patients were positive for DTCs or MMs. Strikingly, the anatomical distribution of LN affected with DTCs was not random, but was dependent on the lateralization of the primary tumor and clustered significantly most proximal to the primary tumor. None of the investigated patients developed loco‐regional lymphatic or distant metastasis during the mean follow‐up period of 71 months. Our results reveal clinically occult tumor cell dissemination as an early and frequent event in HNSCC. Considering that higher rates of recurrences in therapeutic LN dissection concepts have been reported than in elective neck dissection strategies, our DTC‐data support to perform elective neck dissections, since they appear to be effective in preventing loco‐regional lymphatic recurrence from LN DTCs or MMs.
Molecular, biophysical, and pharmacological properties of calcium‐activated chloride channels
Authors: Kamaleddin Mohammad Amin
Published: January 2017

Calcium‐activated chloride channels (CaCCs) are a family of anionic transmembrane ion channels. They are mainly responsible for the movement of Cl− and other anions across the biological membranes, and they are widely expressed in different tissues. Since the Cl− flow into or out of the cell plays a crucial role in hyperpolarizing or depolarizing the cells, respectively, the impact of intracellular Ca2+ concentration on these channels is attracting a lot of attentions. After summarizing the molecular, biophysical, and pharmacological properties of CaCCs, the role of CaCCs in normal cellular functions will be discussed, and I will emphasize how dysregulation of CaCCs in pathological conditions can account for different diseases. A better understanding of CaCCs and a pivotal regulatory role of Ca2+ can shed more light on the therapeutic strategies for different neurological disorders that arise from chloride dysregulation, such as asthma, cystic fibrosis, and neuropathic pain.
Does micropollutant removal by solar photo‐Fenton reduce ecotoxicity in municipal wastewater? A comprehensive study at pilot scale open reactors
Authors: Rivas Ibáñez Gracia , Bittner Michal , Toušová Zuzana , Campos‐Mañas Marina Celia , Agüera Ana , Casas López José Luis , Sánchez Pérez José Antonio , Hilscherová Klára
Published: January 2017

BACKGROUND

The reduction of toxicity in secondary effluents by solar photo‐Fenton has not been widely studied. In this present work, a strategy combining monitoring of micropollutants and application of a selected battery of bioassays has been applied to evaluate the effectiveness of the solar photo‐Fenton process for secondary effluent treatment at neutral pH in a raceway pond reactor (RPR) following two operating strategies: sequential iron dosage and the use of Fe(III)–EDDS complex at pilot plant scale. The applied battery of bioassays comprises in vivo (algal growth inhibition test) and in vitro, endocrine disruptor tests (androgenic/glucocorticoid activity and estrogenicity) and cytotoxicity tests.

RESULTS

The results obtained revealed high efficiency of micropollutant removal (>99%) by both strategies assayed. Regarding toxicity, androgenic/glucocorticoid activity and estrogenicity were efficiently removed in a similar fashion, and the relatively low potential phytotoxicity and cytotoxicity was also attenuated. Both RPR strategies are able to enhance the quality of municipal effluents from chemical and toxicological points of view.

CONCLUSION

To enable water reuse, the feasibility of solar photo‐Fenton reaction at neutral pH in open reactors for ecotoxicity and micropollutant removal in secondary municipal wastewater has been demonstrated for the first time. © 2017 Society of Chemical Industry
Identifying and quantifying weaknesses in the Closed Loop Medication Management System in reducing medication errors using a direct observational approach at an academic medical centre
Authors: Foo Geraldine T. T. , Tan Chwee Huat , Hing Wee Chuan , Wu Tuck Seng
Published: January 2017

Background

Closed Loop Medication Management System (CLMMS) is an end‐to‐end medication delivery system comprising seamless interfaces, independent verification processes and information feedback to improve safety and quality.

Aim

Following implementation of a CLMMS at an academic medical centre in Singapore, this study was conducted to identify any safety issues and areas for quality improvement.

Method

A direct observational study was conducted in the wards, inpatient pharmacy and unit‐dose satellite pharmacy. The numbers and types of medication errors in prescribing, supply and administration were observed and recorded to calculate the error rate. Events that have the potential to cause errors were also observed.

Results

The prescribing error rate was 1.3% and the most common prescribing error was dose error. Supply error rate was 0.7% in which labelling error occurred most frequently. Workflow issues were the most common occurrences that could potentially cause prescribing and supply errors. The administration error rate was 7.3%, and wrong drug preparation technique was most commonly seen. Improper procedure in the use of personal digital assistant was the most common event that could potentially lead to an administration error.

Conclusion

This study was instrumental in identifying important medication safety gaps in order to improve the inpatient CLMMS. Although a failure mode and effects analysis was performed prior to implementation of the system, unintended error types may still be introduced. Hence a post‐implementation audit is necessary to address such issues to ensure that the CLMMS objective of improving medication safety is achieved.
Effects of dietary supplementation with carnosine on growth performance, meat quality, antioxidant capacity and muscle fiber characteristics in broiler chickens
Authors: Cong Jiahui , Zhang Lin , Li Jiaolong , Wang Shuhao , Gao Feng , Zhou Guanghong
Published: January 2017

BACKGROUND

The effects of dietary carnosine were evaluated on the growth performance, meat quality, antioxidant capacity and muscle fiber characteristics in thigh muscle of 256 one‐day‐old male broilers assigned to four diets – basal diets supplemented with 0, 100, 200 or 400 mg kg−1 carnosine respectively – during a 42 day experiment.

RESULTS

Carnosine concentration and carnosine synthase expression in thigh muscle were linearly increased (P < 0.05) and the feed/gain ratio was decreased (P < 0.05) in the starter period by carnosine addition. Dietary supplementation with carnosine resulted in linear increases in pH45 min, redness and cohesiveness and decreases in drip loss, cooking loss, shear force and hardness (P < 0.05). Carnosine addition elevated the activities of antioxidant enzymes and reduced contents of malondialdehyde and carbonyl compounds (P < 0.05). Dietary carnosine linearly decreased diameters and increased densities of muscle fibers (P < 0.01). The ratios of myosin heavy chain (MyHC) I and IIa were increased while that of MyHC IIb was decreased (P < 0.01). The mRNA expressions of genes related to fiber type transformation were linearly up‐regulated (P < 0.05).

CONCLUSION

These findings indicated that carnosine supplementation was beneficial to improve the growth performance, meat quality, antioxidant capacity and muscle fiber characteristics of broilers. © 2017 Society of Chemical Industry
Starch Derived Nanosized Graphene Oxide Functionalized Bioactive Porous Starch Scaffolds
Authors: Wu Duo , Bäckström Eva , Hakkarainen Minna
Published: January 2017

A fully starch‐derived bioactive 3D porous scaffold is developed. The bioactivity is introduced through nanosized graphene oxide (nGO) derived from starch by microwave‐assisted degradation to carbon spheres and further oxidation to GO nanodots. nGO is covalently attached to starch to prepare functionalized starch (SNGO) via an esterification reaction. nGO and SNGO exhibit no cytotoxicity to MG63 at least up to 1000 µg mL−1 under (3‐(4,5‐Dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide) assay. Porous scaffolds consisting of starch and SNGO (S/SNGO) or nGO (S/nGO) are prepared by freeze drying. The porosity and water uptake ability of the scaffolds depend on the concentration of nGO. Moreover, nGO, as a bioactive nanofiller, functions as an effective anchoring site for inducing CaP recrystallization in simulated body fluid. Among all modified starch‐based scaffolds, the S/SNGO scaffold containing the highest concentration of covalently attached SNGO (50%) induces the largest amount of hydroxyapatite, a type of CaP crystal that is closest to bone. The prepared 3D porous nGO functionalized scaffold, thus, exhibits potential promise for bone/cartilage tissue engineering.

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The Burden of Movement Disorders in Cameroon: A Rural and Urban‐Based Inpatient/Outpatient Study
Authors: Cubo Esther , Doumbe Jacques , Mapoure Njankouo Yacouba , Nyinyikua Theophile , Kuate Callixte , Ouyang Bichun , Shah Hiral , Calvo Sara , Fernandez‐Sierra Abel , Kompoliti Katie , Njiengwe Erero , Louis Elan D.
Published: January 2017

Background

Because of rapid demographic changes, the prevalence of movement disorders (MDs) is expected to increase in Africa. The objective of this study was to estimate the prevalence of MDs in an inpatient/outpatient‐based study of rural and urban health care centers in Cameroon.

Methods

In this retrospective medical chart review, the inpatient/outpatients settings covered an urban population (3,000,000) and a rural population (380,276). Neurological diseases were classified according to the International Statistical Classification of Diseases‐Related Health Problems, 10th revision (ICD‐10). Crude prevalence was calculated per 100 with 95% confidence intervals (CIs).

Results

Of 20,131 medical charts reviewed (13% from the rural area), 4187 patients (20.8%) with neurological complaints were identified. MDs were diagnosed exclusively from urban centers in 134 patients (3.2%): the mean patient age was 48.6 ± 18.6 years, and 54.7% were women. The most prevalent MDs were hyperkinetic movements (tremor, myoclonus, and drug‐induced MDs [ICD‐10 code G25]; prevalence, 1.19%; 95% CI, 1.192–1.194%), Parkinson's disease (ICD‐10 code G20; prevalence, 0.78%; 95% CI, 0.785–0.787%), dystonia (ICD‐10 code G24; prevalence, 0.61%; 95% CI, 0.612–0.613%), secondary parkinsonism (ICD‐10 code G21; prevalence, 0.56%; 95% CI, 0.564–0.565%), Huntington's disease (ICD‐10 code G10; prevalence, 0.09%; 95% CI, 0.091–0.092%), and ataxia (ICD‐10 code R29; prevalence, 0.04%; 95% CI, 0.0451–0.0456).

Conclusion

Although the burden of MDs is expected to increase, MDs are likely underdiagnosed in rural areas. High‐quality movement disorder training is essential to tackle this need.
Reduction and transformation formulas for the Appell and related functions in two variables
Authors: Srivastava H. M. , Shpot M. A.
Published: January 2017

In many seemingly diverse areas of applications, reduction, summation, and transformation formulas for various families of hypergeometric functions in one, two, and more variables are potentially useful, especially in situations when these hypergeometric functions are involved in solutions of mathematical, physical, and engineering problems that can be modeled by (for example) ordinary and partial differential equations. The main object of this article is to investigate a number of reductions and transformations for the Appell functions F1,F2,F3, and F4 in two variables and the corresponding (substantially more general) double‐series identities. In particular, we observe that a certain reduction formula for the Appell function F3 derived recently by Prajapati et al., together with other related results, were obtained more than four decades earlier by Srivastava. We give a new simple derivation of the previously mentioned Srivastava's formula . We also present a brief account of several other related results that are closely associated with the Appell and other higher‐order hypergeometric functions in two variables. Copyright © 2017 John Wiley & Sons, Ltd.
Mercy Pregnancy and Emotional Well‐being Study (MPEWS): Understanding maternal mental health, fetal programming and child development. Study design and cohort profile
Authors: Galbally Megan , van IJzendoorn Marinus , Permezel Michael , Saffery Richard , Lappas Martha , Ryan Joanne , van Rossum Elisabeth , Johnson Andrew R. , Teti Douglas , Lewis Andrew J.
Published: January 2017

Maternal mental health represents a significant global health burden. The Mercy Pregnancy and Emotional Well‐being Study (MPEWS) was established to provide a comprehensive investigation of early developmental mechanisms and modifiers for maternal, fetal and child emotional well‐being. MPEWS is a prospective, longitudinal study from pregnancy to 36 months postpartum that includes diagnostic measures of maternal mental health, observational measures of the mother–infant relationship, measures of child development, and repeat biological sampling. A total of 282 pregnant women were recruited in early pregnancy from the Mercy Hospital for Women in Melbourne, Australia, including 52 women on antidepressant medication, 31 non‐medicated women meeting diagnostic criteria for current unipolar depression or dysthymia, and 65 women with a past history of depression. Sample recruitment characteristics included a mean age of 31 years and average gestation of 16 weeks. The MPEWS cohort was comparable to national averages for Australia on key pregnancy and birth variables. Those participants taking antidepressant medication had higher mean Edinburgh Postnatal Depression Scale (EPDS) and State Trait Anxiety Inventory (STAI) scores than the cohort as a whole but were comparable on other key variables. The MPEWS protocol provides a unique opportunity to evaluate the impact of pregnancy mental health on future maternal mental health and child development to aid the development of evidence‐based interventions. The study is open for collaborative proposals via approach to the principal investigators.
Median and ulnar nerve injuries reduce volitional forelimb strength in rats
Authors: Meyers Eric C. , Granja Rafael , Solorzano Bleyda R. , Romero‐Ortega Mario , Kilgard Michael P. , Rennaker Robert L. , Hays Seth
Published: January 2017

Introduction: Peripheral nerve injuries (PNI) are among the leading causes of physical disability in the United States. The majority of injuries occur in the upper extremities, and functional recovery is often limited. Robust animal models are critical first steps for developing effective therapies to restore function after PNI. Methods: We developed an automated behavioral assay that provides quantitative measurements of volitional forelimb strength in rats. Multiple forelimb PNI models involving the median and ulnar nerves were used to assess forelimb function for up to 13 weeks postinjury. Results: Despite multiple weeks of task‐oriented training following injury, rats exhibit significant reductions in multiple quantitative parameters of forelimb function, including maximal pull force and speed of force generation. Discussion: This study demonstrates that the isometric pull task is an effective method of evaluating forelimb function following PNI and may aid in development of therapeutic interventions to restore function. Muscle Nerve 56: 1149–1154, 2017
Anti‐LRP4 autoantibodies in Chinese patients with myasthenia gravis
Authors: Li Yuan , Zhang Yifan , Cai Gang , He Dian , Dai Qingqing , Xu Zhu , Chu Lan
Published: January 2017

Introduction

We assessed antibodies against low‐density lipoprotein receptor‐related protein 4 (LRP4‐Ab) in a Chinese population with myasthenia gravis (MG).

Methods

Serum samples from 116 patients and 80 controls were collected. Acetylcholine receptor antibodies(AChR‐Ab) and muscle‐specific receptor tyrosine kinase antibodies (MuSK‐Ab) were tested using an enzyme‐linked immune absorption assay, and LRP4‐Ab was identified using a cell‐based assay. MG patients with neither AChR‐Ab nor MuSK‐Ab were defined as double‐seronegative MG (dSN‐MG).

Results

Two of 116 (1.7%) of all patients and 2 of 50 (1%) dSN‐MG patients were positive for LRP4‐Ab. These 2 patients had ocular MG. Following treatment with acetylcholinesterase inhibitor and prednisone, both achieved full remission.

Conclusions

This study shows that LRP4‐Ab is a pathogenic antibody in MG. LRP4‐MG seems to be characterized by mild disease severity and favorable therapeutic effect in contrast with other types of MG. Muscle Nerve 56: 938–942, 2017
Analytical solutions for Euler‐Bernoulli Beam on Pasternak foundation subjected to arbitrary dynamic loads
Authors: Yu H. , Cai C. , Yuan Y. , Jia M.
Published: January 2017

In this paper, the dynamic response of an infinite beam resting on a Pasternak foundation and subjected to arbitrary dynamic loads is developed in the form of analytical solution. The beam responses investigated are deflection, velocity, acceleration, bending moment, and shear force. The mechanical resistance of the Pasternak foundation is modeled using two parameters, that is, one accounts for soil resistance due to compressive strains in the soil and the other accounts for the resistance due to shear strains. Because the Winkler model only represents the compressive resistance of soil, comparatively, the Pasternak model is more realistic to consider shear interactions between the soil springs. The governing equation of the beam is simplified into an algebraic equation by employing integration transforms, so that the analytical solution for the dynamic response of the beam can be obtained conveniently in the frequency domain. Both inverse Laplace and inverse Fourier transforms combined with convolution theorem are applied to convert the solution into the time domain. The solutions for several special cases, such as harmonic line loads, moving line loads, and travelling loads are also discussed and numerical examples are conducted to investigate the influence of the shear modulus of foundation on the beam responses. The proposed solutions can be an effective tool for practitioners. Copyright © 2017 John Wiley & Sons, Ltd.
An extension of the Hill–Mandel principle for transient heat conduction in heterogeneous media with heat generation incorporating finite RVE thermal inertia effects
Authors: Ramos Gustavo Roberto , dos Santos Tiago , Rossi Rodrigo
Published: January 2017

In this work, we propose a homogenization formulation to model transient heat conduction in heterogeneous media that takes into account thermal inertia contributions, which arise from a finite description of the microscale. Rewriting the variational form of the transient heat conduction problem and making use of key assumptions, we arrive at a mathematical formulation that suggests an extension of the Hill–Mandel principle when considering non‐null heat flux divergence in the representative volume element (RVE). Along the manuscript, we highlight that the main results of the proposed formulation are in agreement with recent advances in the field of computational homogenization applied to transient mechanical and heat flow problems. The proposed extension of the Hill–Mandel principle contributes to the understanding of the microscale thermal inertia effects incorporation into the multiscale framework. We also present the calculations needed for implementing the model and numerical results, which give support to the theoretical model developed. The numerical results highlight the importance of considering full transient aspects when dealing with multiscale heat conduction in heterogeneous media which are subjected to high thermal gradients. Copyright © 2016 John Wiley & Sons, Ltd.
A stiff extracellular matrix is associated with malignancy in peripheral neuroblastic tumors
Authors: Tadeo Irene , Berbegall Ana P. , Navarro Samuel , Castel Victoria , Noguera Rosa
Published: January 2017

Purpose and objective

Improved prognosis for patients with peripheral neuroblastic tumors (PNB) depends on enhanced pretreatment risk stratification combined with research into new therapeutic targets. This study investigated the potential contribution of extracellular matrix (ECM) elements toward this endeavor.

Methods

We characterized certain elements such as reticulin fibers, collagen type I fibers, and elastic fibers by digital pathology in almost 400 untreated PNB.

Results

A reticular and poorly porous ECM was identified in neuroblastomas (NBs) from patients with clinical and biological features associated with poor prognosis compared with a loose and permeable matrix found in NBs of the favorable cohort.

Conclusions

Aggressiveness patterns of ECM can be accurately determined by morphometric tools and could become candidate elements for novel therapies.
Modulating the wnt signaling pathway with small molecules
Authors: Tran Freddi Huan , Zheng Jie J.
Published: January 2017

Wnt signaling is a critical component during embryonic development and also plays an important role in regulating adult tissue homeostasis. Abnormal activation of Wnt signaling has been implicated in many cancers, while reduced activity of Wnt signaling leads to poor wound healing and structural formations. Thus, extensive efforts have been focused on developing small molecules that have potential to either inhibit or activate the pathway, hoping these molecules can offer leads for novel approaches in treating different human diseases. Many small‐molecule inhibitors specifically target various elements, such as Frizzled, Disheveled, Porcupine, or Tankyrase, within the Wnt signaling pathways. These small molecules not only have the potential to be further developed as therapeutic reagents, but they may also be used as chemical probes to dissect the underlying mechanism of the Wnt signaling pathways. Therefore, their respective mechanisms and effective dosages are highly pertinent. Aiming to provide an overview of those molecules in a concise, easy‐to‐use manner, we summarize and organize the current research on them so that it may be helpful for utilization in different studies.
Structural insights into human microsomal epoxide hydrolase by combined homology modeling, molecular dynamics simulations, and molecular docking calculations
Authors: Saenz‐Méndez Patricia , Katz Aline , Pérez‐Kempner María Lucía , Ventura Oscar N. , Vázquez Marta
Published: January 2017

A new homology model of human microsomal epoxide hydrolase was derived based on multiple templates. The model obtained was fully evaluated, including MD simulations and ensemble‐based docking, showing that the quality of the structure is better than that of only previously known model. Particularly, a catalytic triad was clearly identified, in agreement with the experimental information available. Analysis of intermediates in the enzymatic mechanism led to the identification of key residues for substrate binding, stereoselectivity, and intermediate stabilization during the reaction. In particular, we have confirmed the role of the oxyanion hole and the conserved motif (HGXP) in epoxide hydrolases, in excellent agreement with known experimental and computational data on similar systems. The model obtained is the first one that fully agrees with all the experimental observations on the system. Proteins 2017; 85:720–730. © 2016 Wiley Periodicals, Inc.
Multiple helical conformations of the helix‐turn‐helix region revealed by NOE‐restrained MD simulations of tryptophan aporepressor, TrpR
Authors: Harish Balasubramanian , Swapna G.V.T. , Kornhaber Gregory J. , Montelione Gaetano T. , Carey Jannette
Published: January 2017

The nature of flexibility in the helix‐turn‐helix region of E. coli trp aporepressor has been unexplained for many years. The original ensemble of nuclear magnetic resonance (NMR structures showed apparent disorder, but chemical shift and relaxation measurements indicated a helical region. Nuclear Overhauser effect (NOE) data for a temperature‐sensitive mutant showed more helical character in its helix‐turn‐helix region, but nevertheless also led to an apparently disordered ensemble. However, conventional NMR structure determination methods require all structures in the ensemble to be consistent with every NOE simultaneously. This work uses an alternative approach in which some structures of the ensemble are allowed to violate some NOEs to permit modeling of multiple conformational states that are in dynamic equilibrium. Newly measured NOE data for wild‐type aporepressor are used as time‐averaged distance restraints in molecular dynamics simulations to generate an ensemble of helical conformations that is more consistent with the observed NMR data than the apparent disorder in the previously reported NMR structures. The results indicate the presence of alternating helical conformations that provide a better explanation for the flexibility of the helix‐turn‐helix region of trp aporepressor. Structures representing these conformations have been deposited with PDB ID: 5TM0. Proteins 2017; 85:731–740. © 2016 Wiley Periodicals, Inc.
Thermodynamic and structural effect of urea and guanidine chloride on the helical and on a hairpin fragment of GB1 from molecular simulations
Authors: Meloni R. , Tiana G.
Published: January 2017

With the help of molecular‐dynamics simulations, we studied the effect of urea and guanidine chloride on the thermodynamic and structural properties of the helical fragment of protein GB1, comparing them with those of its second beta hairpin. We showed that the helical fragment in different solvents populates an ensemble of states that is more complex than that of the hairpin, and thus the associated experimental observables (circular‐dichroism spectra, secondary chemical shifts, m values), that we back‐calculated from the simulations and compared with the actual data, are more difficult to interpret. We observed that in the case of both peptides, urea binds tightly to their backbone, while guanidine exerts its denaturing effect in a more subtle way, strongly affecting the electrostatic properties of the solution. This difference can have consequences in the way denaturation experiments are interpreted. Proteins 2017; 85:753–763. © 2016 Wiley Periodicals, Inc.
Reduction of interface state density at SiO2/InAlN interface by inserting ultrathin Al2O3 and plasma oxide interlayers
Authors: Akazawa Masamichi , Seino Atsushi
Published: January 2017

SiO2/InAlN interfaces formed by plasma‐enhanced chemical vapor deposition were investigated. X‐ray photoelectron spectroscopy showed that the direct deposition of SiO2 onto an InAlN surface led to the oxidation of the InAlN surface. The interface state density, Dit, was on the order of 1012 cm−2 eV−1 (5 × 1012 cm−2 eV−1 at 0.3 eV from the conduction band edge, Ec), which indicated the possibility of improving the interface properties. Reduction of the interface state density was attempted using an Al2O3 interlayer and a plasma oxide interlayer. The insertion of a 2‐nm‐thick Al2O3 interlayer to prevent surface oxidation by plasma reduced Dit slightly. A marked reduction in Dit to less than 1011 cm−2 eV−1 deeper than 0.3 eV from Ec, however, was achieved by the intentional formation of a 1‐nm‐thick plasma oxide layer, formed by N2O plasma oxidation, as an interlayer between SiO2 and InAlN.
Ionic Liquids‐Based Iron Phosphide/Carbon Nanotubes Composites: High Active Electrocatalysts towards Hydrogen Evolution Reaction
Authors: Cui Zehua , Li Tianhao , Tang Daomei , Li Chang Ming
Published: January 2017

New catalyst for hydrogen generation by water electrolysis in aqueous acid is made by mixing N,N‐bis(4‐ (methoxycarbonyl)benzyl)‐N‐methyl‐d‐glucaminium bromide (MBMG−Br) and trichloroferrate (III) to form the iron containing ionic liquid (IL), MBMG‐FeCl3Br. This IL is mixed with carbon nanotubes (CNTs) and sodium hypophosphite (NaH2PO2) and then heated to 300 oC in an inert atmosphere to give the final catalyst, a CNT‐supported iron phosphide (FePMBMG/CNT), which exhibits catalytic activity toward hydrogen evolution reaction in 0.5 M aqueous sulfuric acid electrolyte with a low onset overpotential of 70 mV, a Tafel slope of 75.9 mV dec−1, 95% Faradaic efficiency (FE) and current densities of 10 and 20 mA cm−2, at overpotentials of 155 and 195 mV respectively, for a catalyst loading of 100 μg on 0.2 cm2 of glassy carbon electrode in which the IL to CNTs amount ratio is 1:1.
Efficient Electrochemical Production of Peroxodicarbonate Applying DIACHEM® Diamond Electrodes
Authors: Chardon Chloé P. , Matthée Thorsten , Neuber Rieke , Fryda Matthias , Comninellis Christos
Published: January 2017

The electrochemical synthesis of peroxodicarbonate was performed on boron‐doped DIACHEM® diamond anodes (BDD). The influence of various parameters was studied and promising conditions were determined in an undivided cell design by CONDIAS GmbH. The best performance was obtained with a temperature below room temperature (<18 °C), high current density (720 mA cm−2), high flow velocity (170 cm s−1) and starting concentration close to the maximum solubility of sodium carbonate (1.5 M Na‐carbonate). A high concentration of peroxodicarbonate of 282 mM was obtained with highest current efficiency of about 76%. Future industrial applications appear to be promising. Experiments performed to investigate the bleaching power of the peroxodicarbonate gave promising results. Additionally, a new type of DIACHEM® diamond electrode based on Molybdenum substrate was successfully tested.
Visual Sensing of Ag+ Ions through Gelation of Cholesterol‐ Appended Benzimidazole and Associated Ion Conducting Behaviour
Authors: Ghosh Kumaresh , Panja Santanu , Bhattacharya Subhratanu
Published: January 2017

Cholesterol‐appended benzimidazole 1 has been synthesized. The gelation ability of the compound 1 has been examined in different solvents and it exhibits strong gelation with silver perchlorate in DMF:H2O (1:1, v/v). Silver ion specific gelation in DMF: H2O highlights the compound 1 as excellent visual detector of Ag+ ions over a series of other metal ions. Furthermore, silver‐induced gel of 1 shows thermally activated ionic conductivity due to the movement of Ag+ ions within the gel network.
Highly Selective Conversion of CO2 to CO Achieved by a Three‐Dimensional Porous Silver Electrocatalyst
Authors: Daiyan Rahman , Lu Xunyu , Ng Yun Hau , Amal Rose
Published: January 2017

A three‐dimensional, porous silver foam catalyst was fabricated by a simple electrodeposition approach under high applied currents and vigorous hydrogen evolution conditions. The as‐prepared catalyst can be used directly as the working electrode for electrochemical reduction of CO2 without further treatments, which can reduce CO2 selectively to CO with a high Faradaic Efficiency of 94.7 % and a large current density of 10.80 mA cm−2 at an applied potential of −0.99 V. The performance tradeoff between CO Faradaic Efficiency (FECO) and current density is successfully circumvented with the novel foam structured catalyst, which is capable of delivering high value of FECO as well as large current densities (>10 mA cm−2). The enhanced catalytic performances can be attributed to the unique configuration of the three dimensional, highly porous Ag foam electrode, which not only offers high electrode integrity, conductivity and stability, but also possess large surface area with active sites and easily accessible pores that allow facile transportation of reactants (CO2 and H2O) and products (CO and H2).