bluuebunny/crossref_metadata_2025 huggingface dataset:
A numerical model for water and heat transport in freezing soils with nonequilibrium ice‐water interfaces
Authors: Peng Zhenyang , Tian Fuqiang , Wu Jingwei , Huang Jiesheng , Hu Hongchang , Darnault Christophe J. G.
Published: September 2016

A one‐dimensional numerical model of heat and water transport in freezing soils is developed by assuming that ice‐water interfaces are not necessarily in equilibrium. The Clapeyron equation, which is derived from a static ice‐water interface using the thermal equilibrium theory, cannot be readily applied to a dynamic system, such as freezing soils. Therefore, we handled the redistribution of liquid water with the Richard's equation. In this application, the sink term is replaced by the freezing rate of pore water, which is proportional to the extent of supercooling and available water content for freezing by a coefficient, β. Three short‐term laboratory column simulations show reasonable agreement with observations, with standard error of simulation on water content ranging between 0.007 and 0.011 cm3 cm−3, showing improved accuracy over other models that assume equilibrium ice‐water interfaces. Simulation results suggest that when the freezing front is fixed at a specific depth, deviation of the ice‐water interface from equilibrium, at this location, will increase with time. However, this deviation tends to weaken when the freezing front slowly penetrates to a greater depth, accompanied with thinner soils of significant deviation. The coefficient, β, plays an important role in the simulation of heat and water transport. A smaller β results in a larger deviation in the ice‐water interface from equilibrium, and backward estimation of the freezing front. It also leads to an underestimation of water content in soils that were previously frozen by a rapid freezing rate, and an overestimation of water content in the rest of the soils.
Prenatal diagnosis of Simpson–Golabi–Behmel syndrome
Authors: Magini Pamela , Palombo Flavia , Boito Simona , Lanzoni Giulia , Mongelli Patrizia , Rizzuti Tommaso , Baccarin Marco , Pippucci Tommaso , Seri Marco , Lalatta Faustina
Published: September 2016

Simpson–Golabi–Behmel syndrome (SGBS) is an overgrowth syndrome and it is usually diagnosed postnatally, on the basis of phenotype. Prenatal ultrasonography may show fetal alterations, but they are not pathognomonic and most of them are frequently detectable only from the 20th week of gestation. Nevertheless, early diagnosis is important to avoid neonatal complications and make timely and informed decisions about the pregnancy. We report on four fetuses from two unrelated families, in whom the application of whole exome sequencing and array‐CGH allowed the identification of GPC3 alterations causing SGBS. The careful follow up of pregnancies and more sophisticated analysis of ultrasound findings led to the identification of early prenatal alterations, which will improve the antenatal diagnosis of SGBS. © 2016 Wiley Periodicals, Inc.
Distinct Short‐Range Order Is Inherent to Small Amorphous Calcium Carbonate Clusters (<2 nm)
Authors: Sun Shengtong , Chevrier Daniel M. , Zhang Peng , Gebauer Denis , Cölfen Helmut
Published: September 2016

Amorphous intermediate phases are vital precursors in the crystallization of many biogenic minerals. While inherent short‐range orders have been found in amorphous calcium carbonates (ACCs) relating to different crystalline forms, it has never been clarified experimentally whether such orders already exist in very small clusters less than 2 nm in size. Here, we studied the stability and structure of 10,12‐pentacosadiynoic acid (PCDA) protected ACC clusters with a core size of ca. 1.4 nm consisting of only seven CaCO3 units. Ligand concentration and structure are shown to be key factors in stabilizing the ACC clusters. More importantly, even in such small CaCO3 entities, a proto‐calcite short‐range order can be identified but with a relatively high degree of disorder that arises from the very small size of the CaCO3 core. Our findings support the notion of a structural link between prenucleation clusters, amorphous intermediates, and final crystalline polymorphs, which appears central to the understanding of polymorph selection.
Modification of σ‐Donor Properties of Terminal Carbide Ligands Investigated Through Carbide–Iodine Adduct Formation
Authors: Reinholdt Anders , Vosch Tom , Bendix Jesper
Published: September 2016

The terminal carbide ligands in [(Cy3P)2X2Ru≡C] complexes (X=halide or pseudohalide) coordinate molecular iodine, affording charge‐transfer complexes rather than oxidation products. Crystallographic and vibrational spectroscopic data show the perturbations of iodine to vary with the auxiliary ligand sphere on ruthenium, demonstrating the σ‐donor properties of carbide complexes to be tunable.
Two‐Dimensional Crowding Uncovers a Hidden Conformation of α‐Synuclein
Authors: Banerjee Priya R. , Moosa Mahdi Muhammad , Deniz Ashok A.
Published: September 2016

The intrinsically disordered protein (IDP), α‐synuclein (αS), is well‐known for phospholipid membrane binding‐coupled folding into tunable helical conformers. Here, using single‐molecule experiments in conjunction with ensemble assays and a theoretical model, we present a unique case demonstrating that the interaction–folding landscape of αS can be tuned by two‐dimensional (2D) crowding through simultaneous binding of a second protein on the bilayer surface. Unexpectedly, the experimental data show a clear deviation from a simple competitive inhibition model, but are consistent with a bimodal inhibition mechanism wherein membrane binding of a second protein (a membrane interacting chaperone, Hsp27, in this case) differentially inhibits two distinct modules of αS–membrane interaction. As a consequence, αS molecules are forced to access a hidden conformational state on the phospholipid bilayer in which only the higher‐affinity module remains membrane‐bound. Our results demonstrate that macromolecular crowding in two dimensions can play a significant role in shaping the conformational landscape of membrane‐binding IDPs with multiple binding modes.
Copper‐Catalyzed Oxidation of Alkanes with H2O2 under a Fenton‐like Regime
Authors: Garcia‐Bosch Isaac , Siegler Maxime A.
Published: September 2016

Copper complexes bearing readily available ligand systems catalyzed the oxidation of alkanes with H2O2 as the oxidant with high efficiency in remarkable yields (50–60 %). The reactions proceeded with unprecedented selectivity to give alkyl hydroperoxides as the major products. Detailed scrutiny of the reaction mechanism suggests the involvement of C‐centered and O‐centered radicals generated in a Fenton‐like fashion.
Robust Output Feedback Controller Design for Time‐Delayed Teleoperation: Experimental Results
Authors: Sharifi I. , Talebi H. A. , Motaharifar M.
Published: September 2016

In this paper, a robust output feedback control strategy is proposed for a nonlinear teleoperation system which can deal with stability as well as transparency despite the variable time‐delay and uncertain dynamics. The proposed approach is composed of two steps. First, local Lyapunov based adaptive controllers are applied to both master and slave sides in order to suppress the nonlinearities in the system dynamics. Afterwards, a new observer‐based controller scheme is proposed to achieve stability and performance (transparency) of the teleoperation system. Using the Lyapunov techniques, stability and performance objectives are cast as some linear matrix inequality (LMI) feasibility conditions. To evaluate the performance of the proposed controller, a set of simulations and experiments are performed. Through simulation results, it is demonstrated that the proposed approach significantly outperforms the existing methodologies reported in the literature.
Effects of FOXJ2 on TGF‐β1‐induced epithelial–mesenchymal transition through Notch signaling pathway in non‐small lung cancer
Authors: Yang Qichang , Cao Xingjian , Tao Guohua , Zhou Feng , Zhao Ping , Shen Yi , Chen Xiang
Published: September 2016

As one member of Forkhead box transcription factors, Forkhead box J2 (FOXJ2) has been found to be involved in epithelial–mesenchymal transition (EMT) process. However, the role and mechanism of FOXJ2 in non‐small cell lung cancer (NSCLC) and EMT regulation have not been fully revealed. In this paper, it was revealed that the expression of FOXJ2 was lower in NSCLC samples compared with matched peritumoral lung tissue. We demonstrated that FOXJ2 expression was down‐regulated by transforming growth factor‐β1 (TGF‐β1) treated, and overexpression of FOXJ2 inhibited TGF‐β1‐induced EMT. Mechanistically, knocking out the expression of FOXJ2 promoted EMT by increasing the expression of Notch1 and NICD. This study implicates the potential value of FOXJ2 as a molecular marker for NSCLC.
Mechanochemical Synthesis of CPM‐5: A Green Method
Authors: Bahri Mitra , Kazemian Hossein , Rohani Sohrab , Haghighat Fariborz
Published: September 2016

The development of green technologies for the manufacture of various materials is considered as one of the approaches to address some of the environmental issues of commercializing new materials. A mechanochemical (MC) method is developed to synthesize crystalline porous material‐5 (CPM‐5). The effect of different mechanical parameters, including oscillation frequency and time and the number of metal balls used for milling is studied. Results revealed that CPM‐5 crystals are successfully formed under optimized conditions. It was noted that the thermal treatment of the samples after grinding is very crucial for the formation of CPM‐5 under the studied conditions. Moreover, washing of samples with a 1:1 solution of dimethylformamide (DMF):H2O remarkably enhanced the surface area of the final product.
Exciton‐Vibrational Couplings in Homo‐ and Heterodimer Stacks of Perylene Bisimide Dyes within Cyclophanes: Studies on Absorption Properties and Theoretical Analysis
Authors: Bialas David , Brüning Christoph , Schlosser Felix , Fimmel Benjamin , Thein Johannes , Engel Volker , Würthner Frank
Published: September 2016

The optical properties of a series of three cyclophanes comprising either identical or different perylene bisimide (PBI) chromophores were studied by UV/Vis absorption spectroscopy and their distinctive spectral features were analyzed. All the investigated cyclophanes show significantly different absorption features with respect to the corresponding constituent PBI monomers indicating strong coupling interactions between the PBI units within the cyclophanes. DFT calculations suggest a π‐stacked arrangement of the PBI units at close van der Waals distance in the cyclophanes with rotational displacement. Simulations of the absorption spectra based on time‐dependent quantum mechanics properly reproduced the experimental spectra, revealing exciton‐vibrational coupling between the chromophores both in homo‐ and heterodimer stacks. The PBI cyclophane comprising two different PBI chromophores represents the first example of a PBI heterodimer stack for which the exciton coupling has been investigated. The quantum dynamics analysis reveals that exciton coupling in heteroaggregates is indeed of similar strength as for homoaggregates.
Probing Polyoxometalate–Protein Interactions Using Molecular Dynamics Simulations
Authors: Solé‐Daura Albert , Goovaerts Vincent , Stroobants Karen , Absillis Gregory , Jiménez‐Lozano Pablo , Poblet Josep M. , Hirst Jonathan D. , Parac‐Vogt Tatjana N. , Carbó Jorge J.
Published: September 2016

Invited for the cover of this issue is the group of Jorge J. Carbó at the University Rovira i Virgili. The image depicts the influence of polyoxometalate properties on their interactions with biomolecules. Read the full text of the article at 10.1002/chem.201602263.
Optimal economic load dispatch based on wind energy and risk constrains through an intelligent algorithm
Authors: Ghaffari Sina , Aghajani Gholamreza , Noruzi Alireza , Hedayati Mehr Hadi
Published: September 2016

This article focus on optimal economic load dispatch based on an intelligent method of shark smell optimization (SSO). In this problem, the risk constrains has been considered which has root in uncertainity and unpredictable behavior of wind power. Regarding to increasing of this clean energy in power systems and un‐dispatchable behavior of wind power, its conditional value at risk index considered in this article which consists of loss from load and "spilling" wind energy connected with unpredictable imbalances among generation and load. This problem has been considered as an optimization problem based on SSO that evaluate the balance between cost and risk. This algorithm is based on distinct shark smell abilities for localizing the prey. In sharks' movement, the concentration of the odor is an important factor to guide the shark to the prey. In other words, the shark moves in the way with higher odor concentration. This characteristic is used in the proposed SSO algorithm to find the solution of an optimization problem. Effectiveness of the proposed method has been applied over 30‐bus power system in comparison with other techniques. © 2016 Wiley Periodicals, Inc. Complexity 21: 494–506, 2016
The performance of MIMO system using MRT scheme in vehicular systems
Authors: Ilhan Haci
Published: September 2016

In this paper an inter‐vehicle multiple‐input multiple‐output system using maximal ratio transmission (MRT) scheme is proposed, and its performance is investigated where the proposed system uses multiple antennas for transmission and reception. It has the advantage of increasing effectively the diversity order without changing the receiver. As far as we know, MRT has not been employed in vehicular systems to improve system performance. Specifically, error performance of the MRT with different number of antennas at the transmitting and receiving stations has been examined, ie, MRT (2, 1) and MRT (2, 2) in a vehicular system in which cascaded Nakagami‐m fading distribution used. First, we derive expressions of probability distribution function and then moment generating function of end‐to‐end signal‐to‐noise ratio. Based on these expressions, we obtain the symbol error rate expression on account of examining the performance of the considered system. Then, the upper bounds for the symbol error rate expressions for high enough signal‐to‐noise ratio values have been calculated. Finally, we validate the confirmation of obtained theoretical results through simulation results and furthermore show that the multiple‐input multiple‐output system using MRT scheme can provide the full diversity.
Confirmatory analysis of etanercept in equine plasma by LC‐MS for doping control
Authors: Guan Fuyu , Robinson Mary A. , Soma Lawrence R.
Published: September 2016

Etanercept is a protein‐based medication for the treatment of human patients with rheumatoid arthritis and other autoimmune‐based diseases; its pharmacological action is to inhibit and antagonize tumour necrosis factor alpha. Etanercept was rumoured to be used in horse racing in North America. To detect such use, the aim of this study was to develop a liquid chromatography‐mass spectrometry (LC‐MS) method for confirmation of etanercept in equine plasma. Etanercept was extracted from plasma by anti‐human IgG antibody linked to magnetic beads. The analyte was reduced and alkylated, and then digested by trypsin. Tryptic peptides (T1 from human tumour necrosis factor receptor 2 of etanercept, T15 and T27 from human IgG1 of the protein) were employed for detection and confirmation of the analyte. The limit of detection was 5 ng/mL, and the limit of confirmation 10 ng/mL. This method is specific for confirmation of etanercept, as assessed using the results from BLAST and SEQUEST searches. The results from SEQUEST searches also revealed an unexpected unique specificity of product ion spectrum of IgG1 T27 with only a single product ion for identification of etanercept. It is the first report for such a finding, to the authors’ knowledge. The method was successful in analyses of the plasma samples collected post administration of etanercept to horses. Etanercept was detected up to 11 days post administration. This method will be helpful for confirmation of etanercept or other protein‐based drugs consisting of human IgG1, in equine drug testing. Copyright © 2016 John Wiley & Sons, Ltd.
The effect of acute weight restoration on dietary fat preference in hospitalized patients with anorexia nervosa
Authors: Schebendach Janet E. , Call Christine C. , Attia Evelyn , Devlin Michael J. , Timothy Walsh B. , Mayer Laurel E.S.
Published: September 2016

Objective

Individuals with anorexia nervosa (AN) restrict fat intake. The Geiselman Food Preference Questionnaire‐I© (FPQ) is a validated self‐report instrument that yields a fat preference score (>100 = high fat preference, <100 = low fat preference). The goal of the study was to assess the utility of the FPQ in patients with AN. Specific aims: (1) to examine change in fat preference scores before and after weight restoration in hospitalized patients; and (2) to compare patients' scores before and after weight restoration to scores from healthy participants (HPs).

Method

The FPQ was completed by 88 patients and 115 HPs.

Results

Compared with HPs, patients had significantly lower fat preference scores before (74.03 ± 32.03 vs. 102.93 ± 16.89, P < 0.001) and after (81.51 ± 26.89 vs. 102.92 ± 16.89, P < 0.001) weight restoration. Fat preference scores increased with weight gain (74.03 + 32.03 vs. 81.51 + 26.89, P < 0.01) but did not normalize in AN.

Discussion

Acutely weight restored patients continue to endorse decreased preference for high fat foods. The FPQ may be a useful metric by which to assess improvements in diet during treatment. Further study is warranted to validate the FPQ against observed food intake in AN. © 2016 Wiley Periodicals, Inc.(Int J Eat Disord 2017; 50:148–151)
Empirically derived personality subtyping for predicting clinical symptoms and treatment response in bulimia nervosa
Authors: Haynos Ann F. , Pearson Carolyn M. , Utzinger Linsey M. , Wonderlich Stephen A. , Crosby Ross D. , Mitchell James E. , Crow Scott J. , Peterson Carol B.
Published: September 2016

Objective

Evidence suggests that eating disorder subtypes reflecting under‐controlled, over‐controlled, and low psychopathology personality traits constitute reliable phenotypes that differentiate treatment response. This study is the first to use statistical analyses to identify these subtypes within treatment‐seeking individuals with bulimia nervosa (BN) and to use these statistically derived clusters to predict clinical outcomes.

Methods

Using variables from the Dimensional Assessment of Personality Pathology‐Basic Questionnaire, K‐means cluster analyses identified under‐controlled, over‐controlled, and low psychopathology subtypes within BN patients (n = 80) enrolled in a treatment trial. Generalized linear models examined the impact of personality subtypes on Eating Disorder Examination global score, binge eating frequency, and purging frequency cross‐sectionally at baseline and longitudinally at end of treatment (EOT) and follow‐up. In the longitudinal models, secondary analyses were conducted to examine personality subtype as a potential moderator of response to Cognitive Behavioral Therapy‐Enhanced (CBT‐E) or Integrative Cognitive‐Affective Therapy for BN (ICAT‐BN).

Results

There were no baseline clinical differences between groups. In the longitudinal models, personality subtype predicted binge eating (p = 0.03) and purging (p = 0.01) frequency at EOT and binge eating frequency at follow‐up (p = 0.045). The over‐controlled group demonstrated the best outcomes on these variables. In secondary analyses, there was a treatment by subtype interaction for purging at follow‐up (p = 0.04), which indicated a superiority of CBT‐E over ICAT‐BN for reducing purging among the over‐controlled group.

Discussion

Empirically derived personality subtyping appears to be a valid classification system with potential to guide eating disorder treatment decisions. © 2016 Wiley Periodicals, Inc.(Int J Eat Disord 2017; 50:506–514)
Environmental variability and population dynamics: do European and North American ducks play by the same rules?
Authors: Pöysä Hannu , Rintala Jukka , Johnson Douglas H. , Kauppinen Jukka , Lammi Esa , Nudds Thomas D. , Väänänen Veli‐Matti
Published: September 2016

Density dependence, population regulation, and variability in population size are fundamental population processes, the manifestation and interrelationships of which are affected by environmental variability. However, there are surprisingly few empirical studies that distinguish the effect of environmental variability from the effects of population processes. We took advantage of a unique system, in which populations of the same duck species or close ecological counterparts live in highly variable (north American prairies) and in stable (north European lakes) environments, to distinguish the relative contributions of environmental variability (measured as between‐year fluctuations in wetland numbers) and intraspecific interactions (density dependence) in driving population dynamics. We tested whether populations living in stable environments (in northern Europe) were more strongly governed by density dependence than populations living in variable environments (in North America). We also addressed whether relative population dynamical responses to environmental variability versus density corresponded to differences in life history strategies between dabbling (relatively “fast species” and governed by environmental variability) and diving (relatively “slow species” and governed by density) ducks. As expected, the variance component of population fluctuations caused by changes in breeding environments was greater in North America than in Europe. Contrary to expectations, however, populations in more stable environments were not less variable nor clearly more strongly density dependent than populations in highly variable environments. Also, contrary to expectations, populations of diving ducks were neither more stable nor stronger density dependent than populations of dabbling ducks, and the effect of environmental variability on population dynamics was greater in diving than in dabbling ducks. In general, irrespective of continent and species life history, environmental variability contributed more to variation in species abundances than did density. Our findings underscore the need for more studies on populations of the same species in different environments to verify the generality of current explanations about population dynamics and its association with species life history.
Geographic dialects in volatile communication between sagebrush individuals
Authors: Karban Richard , Wetzel William C. , Shiojiri Kaori , Pezzola Enrico , Blande James D.
Published: September 2016

Plants respond to volatile cues emitted by damaged neighbors to increase their defenses against herbivores. We examined whether plants communicated more effectively with local neighbors than distant neighbors in a reciprocal experiment at two sites. Three branches on focal plants were incubated with air from (1) a control, (2) an experimentally clipped “foreign” plant from 230 km away, or (3) an experimentally clipped “local” plant from the same population as the focal plant. Branches incubated with air from the controls experienced 50–80% more leaf damage than those receiving air from experimentally clipped plants. Of more interest, branches receiving volatiles from experimentally clipped “local” plants received 50–65% of the leaf damage as those receiving volatiles from experimentally clipped “foreign” plants. Sabinyl compounds and related terpinenes were found to differ consistently for plants from southern and northern sites. These results indicate that cues vary geographically in their effectiveness and suggest that sagebrush responds more strongly to local than foreign dialects.
Population dynamics, synchrony, and environmental quality of Hokkaido voles lead to temporal and spatial Taylor's laws
Authors: Cohen Joel E. , Saitoh Takashi
Published: September 2016

Taylor's law (TL) asserts that the variance in a species’ population density is a power‐law function of its mean population density: log(variance) = a + b × log(mean). TL is widely verified. We show here that empirical time series of density of the Hokkaido gray‐sided vole, Myodes rufocanus, sampled 1962–1992 at 85 locations, satisfied temporal and spatial forms of TL. The slopes (b ± standard error) of the temporal and spatial TL were estimated to be 1.613 ± 0.141 and 1.430 ± 0.132, respectively. A previously verified autoregressive Gompertz model of the dynamics of these populations generated time series of density which reproduced the form of temporal and spatial TLs, but with slopes that were significantly steeper than the slopes estimated from data. The density‐dependent components of the Gompertz model were essential for the temporal TL. Adding to the Gompertz model assumptions that populations with higher mean density have reduced variance of density‐independent perturbations and that density‐independent perturbations are spatially correlated among populations yielded simulated time series that satisfactorily reproduced the slopes from data. The slopes (b ± standard error) of the enhanced simulations were 1.619 ± 0.199 for temporal TL and 1.575 ± 0.204 for spatial TL.
The Cyanopivaloyl Ester: A Protecting Group in the Assembly of Oligorhamnans
Authors: Geert Volbeda Anne , Reintjens Niels R. M. , Overkleeft Herman S. , van der Marel Gijsbert A. , Codée Jeroen D. C.
Published: September 2016

Protecting groups play a vital role in the assembly of oligosaccharides. The pivaloyl (Piv) ester is commonly used to ensure 1,2‐trans‐selective glycosylation reactions. A significant drawback of the Piv ester is its stability, necessitating strong alkaline conditions for its removal. We here present the cyanopivaloyl (CNPiv) group, a modified pivaloyl group having a cyano group appended to the tert‐butyl moiety. The CNPiv group benefits from the profitable features of the Piv group (stability and effective neighboring‐group participation with minimal orthoester formation during glycosylation reactions), but can be removed under mild conditions (reduction of the cyano function followed by mild base treatment). The applicability of the CNPiv group is demonstrated in the assembly of two rhamnose oligosaccharides, a hexarhamnan that represents a fragment of the capsular polysaccharide of Enterococcus faecium and a tetrarhamnan that is part of the polyrhamnose backbone of the Lancefield Group A carbohydrate (GAC).
Intramolecular Reactions of Tethered Furan‐Based Bis(p‐quinodimethanes)
Authors: Klumpp Douglas A. , Gilbert Thomas M. , Trahanovsky Walter S.
Published: September 2016

Tethered bis‐2,5‐dimethylene‐2,5‐dihydrofurans were generated in the gas phase by flash vacuum pyrolysis (FVP) of diester precursors. These furan‐based bis(p‐quinodimethanes) are shown to undergo reactions leading to macrocycles. The observed products strongly support a mechanism involving cyclic diradical intermediates. Formation of the furan‐based p‐quinodimethane and the corresponding cyclization chemistry was studied by high‐level ab initio calculations. The theoretical studies reveal the importance of the entropy‐driven elimination steps in the high‐temperature FVP chemistry.
Analysis of amphetamine and methamphetamine in municipal wastewater influent and effluent using weak cation‐exchange SPE and LC‐MS/MS
Authors: Boles Tammy H. , Wells Martha J. M.
Published: September 2016

Amphetamine and methamphetamine are emerging contaminants—those for which no regulations currently require monitoring or public reporting of their presence in our water supply. In this research, a protocol for weak cation‐exchange (WCX) SPE coupled with LC‐MS/MS was developed for determination of emerging contaminants amphetamine and methamphetamine in a complex wastewater matrix. Gradient LC parameters were adjusted to yield baseline separation of methamphetamine from other contaminants. Methamphetamine‐D5 was used as the internal standard (IS) to compensate for sample loss during SPE and for signal loss during MS (matrix effects). Recoveries were 102.1 ± 7.9% and 99.4 ± 4.0% for amphetamine and methamphetamine, respectively, using WCX sorbent. Notably, methamphetamine was determined to be present in wastewater influent at each sampling date tested. Amphetamine was present in wastewater influent on two of four sampling dates. Amphetamine concentrations ranged from undetectable to 86.4 ng/L in influent, but it was undetectable in wastewater effluent. Methamphetamine was detected in influent at concentrations ranging from 27.0–60.3 ng/L. Methamphetamine concentration was reduced but incompletely removed at this facility. Although absent in one post‐UV effluent sample, concentrations of methamphetamine ranged from 10.8–14.8 ng/L.
Capillary electrophoresis in the analysis of biologically important thiols
Authors: Lačná Júlia , Foret František , Kubáň Petr
Published: September 2016

In this review article, CE methods for analysis of biologically important thiols are overviewed. The article covers the period from the previously published comprehensive review in 2004 until mid‐2016, with emphasis on various detection modes, novel approaches for sample preconcentration, and applications in clinical practice. The most commonly used detection methods, such as conductometry or absorbance detection, although universally applicable and available in most commercial instruments have low sensitivity and have only limited use in thiol analysis. Amperometric and MS detection are more sensitive and have their steady place in thiol analysis, although the mainstay remains CE with LIF detection, reaching nanomolar concentration sensitivities for most of the thiols. Novel probes for CE‐LIF have been developed and tested. The preconcentration approaches using modified gold nanoparticles reaching excellent sensitivities in the picomolar range and various sample stacking methods are also reviewed. Finally, significant clinical applications of the developed methods are discussed with critical insights into the future of CE analysis of thiols.
Synthesis, optical, and electrochemical properties, and theoretical calculations of BODIPY containing triphenylamine
Authors: Wanwong Sompit , Surawatanawong Panida , Khumsubdee Sakunchai , Kanchanakungwankul Siriluk , Wootthikanokkhan Jatuphorn
Published: September 2016

The boron dipyrromethene (BODIPY) triads consisting of two triphenylamine units as electron donor (D) and BODIPY core as electron acceptor (A; B3, and B4) have been synthesized using facile palladium cross‐coupling reactions to broaden the absorption of the BODIPY dyes. All dyes and intermediates were characterized by 1H NMR, 11B NMR, 13C NMR, and 19F NMR spectroscopies, UV–Vis spectroscopy, fluorescence spectroscopy, cyclic voltammetry, and time‐dependent density functional theory calculations. It was found that an increase in conjugation to the BODIPY core systematically extended the absorption and emission wavelength maxima. As a consequence, B4 containing the D–π–A–π–D structure, exhibited the longest absorption and emission maxima at 597 and 700 nm, respectively, with 1.8 eV in optical bandgap. The 96 nm red‐shifted absorption of B4 as compared to the unsubstituted BODIPY (B1) indicated the effective electronic communication between triphenylamine and BODIPY. This suggested that the proper alignment of triphenylamine and BODIPY triad could lead to broader absorption and suitable low energy bandgap. Furthermore, the molecular modeling has been employed to analyze the electronic and optical properties of the dyes. We found that the optical, electrochemical, and theoretical bandgaps of all dyes were in good agreement.
Biologic activity of cyclic and caged phosphates: a review
Authors: Lorke Dietrich E. , Stegmeier‐Petroianu Anka , Petroianu Georg A.
Published: September 2016

The recognition in the early 1960s by Morifusa Eto that tri‐o‐cresyl phosphate (TOCP) is hydroxylated by the cytochrome P450 system to an intermediate that spontaneously cyclizes to a neurotoxic phosphate (saligenin phosphate ester) ignited the interest in this group of compounds. Only the ortho isomer can cyclize and clinically cause Organo Phosphate Induced Delayed Neurotoxicity (OPIDN); the meta and para isomers of tri‐cresyl phosphate are not neuropathic because they are unable to form stable cyclic saligenin phosphate esters. This review identifies the diverse biological effects associated with various cyclic and caged phosphates and phosphonates and their possible use. Cyclic compounds that inhibit acetylcholine esterase (AChE), such as salithion, can be employed as pesticides. Others are neurotoxic, most probably because of inhibition of neuropathy target esterase (NTE). Cyclic phosphates that inhibit lipases, the cyclipostins, possibly represent promising therapeutic avenues for the treatment of type 2 diabetes mellitus and/or microbial infections; those compounds inhibiting β‐lactamase may prevent bacterial resistance against β‐lactam antibiotics. Naturally occurring cyclic phosphates, such as cyclic AMP, cyclic phosphatidic acid and the ryanodine receptor modulator cyclic adenosine diphosphate ribose, play an important physiological role in signal transduction. Moreover, some cyclic phosphates are GABA‐antagonists, while others are an essential component of Molybdenum‐containing enzymes. Some cyclic phosphates (cyclophosphamide, ifosfamide) are clinically used in tumor therapy, while the coupling of therapeutic agents with other cyclic phosphates (HepDirect® Technology) allows drugs to be targeted to specific organs. Possible clinical applications of these compounds are considered. Copyright © 2016 John Wiley & Sons, Ltd.
Inactivation of Staphylococcus aureus in water by means of solar photocatalysis using metal doped TiO2 semiconductors
Authors: Venieri Danae , Tournas Fanourios , Gounaki Iosifina , Binas Vassilios , Zachopoulos Apostolos , Kiriakidis George , Mantzavinos Dionissios
Published: September 2016

BACKGROUND

The need for clean water and high hygiene standards has led to the exploration of effective disinfection techniques for the elimination of persistent and pathogenic microorganisms. The disinfection potential of cation‐doped titania was investigated in terms of Staphylococcus aureus elimination in aqueous samples under artificial and natural sunlight.

RESULTS

Fe‐, Al‐ and Cr‐doped TiO2 were prepared with dopant loadings of 0.04, 0.3 and 2 wt%. Cation doping resulted in absorption shifts into the visible region, thus rendering the use of solar light feasible. The relative activity for S. aureus inactivation decreased in the order Fe‐TiO2 > Al‐TiO2 > Cr‐TiO2 > P25. For example, an approximately 5 log reduction was obtained in 30, 10 and 6 min when Fe‐loading was 0.04, 0.3 and 2 wt%, respectively, at an initial bacterial concentration of 107 CFU mL−1 and a catalyst concentration of 50 mg L−1. The catalyst concentration in each case affected the overall process up to a certain extent. Scanning electron microscopy revealed interaction between the catalyst nanoparticles and bacterial cells during treatment, with significant alteration in their shape, morphology and size. Under natural sunlight conditions Fe‐TiO2 and Al‐TiO2 could achieve a 99.9% killing of S. aureus population after 60 min.

CONCLUSION

In a nutshell, solar photocatlysis with cation‐doped titania is an effective disinfection technology for adaptable and tolerant pathogens such as S. aureus. © 2016 Society of Chemical Industry
Rational Design to Construct Pyridinonethiol and Its Annulated Frameworks of Expected Significant Antitumor Activity and Geometrical Optimizations
Authors: Hamama Wafaa S. , Ibrahim Mona E. , Ghaith Eslam A. , Zoorob Hanafi H.
Published: September 2016

We exploited the utilization of 2‐methyl‐2‐phenyl‐1,3‐oxathiolan‐5‐one (1) that acts as activated thioglycolic acid as mercaptoacetyl transfer agent to build new pyridinonethiol derivatives via multicomponent domino reactions of 1 with different acyclic or cyclic α,β‐unsaturated carbonyl compounds and aniline using CeCl3∙7H2O/KI as Lewis acid catalyst. Furthermore, the new synthesized compounds were biologically evaluated for antitumor efficiency. The geometries and normal modes of vibrations obtained from calculations are in good agreement with the experimentally observed data.
Molecular epidemiology ofRotavirus A, causing acute gastroenteritis hospitalizations among children in Nha Trang, Vietnam, 2007–2008: Identification of rare G9P[19] and G10P[14] strains
Authors: Do Loan Phuong , Kaneko Miho , Nakagomi Toyoko , Gauchan Punita , Agbemabiese Chantal Ama , Dang Anh Duc , Nakagomi Osamu
Published: September 2016

Rotavirus A(RVA) causes acute diarrhea in children as well as animals. As part of a cross‐sectional study of children less than 5 years of age hospitalized for acute diarrhea in Vietnam during a 15‐month period (2007–2008), 322 (43.5%) of 741 fecal specimens contained RVA with 92% either G1P[8] or G3P[8]. This study was undertaken to further characterize strains that remained untypeable to complete the G and P genotypes of the 322 rotavirus‐positive specimens. While 307 (95.3%) strains possessed the common human RVA genotypes: G1P[8] (45.0%), G2P[4] (2.8%), G3P[8] (46.9%), and G9P[8] (0.6%), sequencing of initially untypeable specimens revealed the presence of two unusual strains designated NT0073 and NT0082 possessing G9P[19] and G10P[14], respectively. The genotype constellation of NT0073 (G9‐P[19]‐I5‐R1‐C1‐M1‐A8‐N1‐T7‐E1‐H1) and the phylogenetic trees suggested its origin as a porcine RVA strain causing diarrhea in a 24‐month‐old girl whereas the genotype constellation of NT0082 (G10‐P[14]‐I2‐R2‐C2‐M2‐A3‐N2‐T6‐E2‐H3) and the phylogenetic trees suggested its origin as an RVA strain of artiodactyl origin (such as cattle, sheep and goats) causing diarrhea in a 13‐month‐old boy. This study showed that RVA strains of animal host origin were not necessarily attenuated in humans. A hypothesis may be postulated that P[19] and P[14] VP4 spike proteins helped the virus to replicate in the human intestine but that efficient onward human‐to‐human spread after crossing the host species barrier may require the virus to obtain some additional features as there was no evidence of widespread transmission with the limited sampling performed over the study period.J. Med. Virol. 89:621–631, 2017. © 2016 Wiley Periodicals, Inc.
Mechanisms, prediction, and prevention of ACL injuries: Cut risk with three sharpened and validated tools
Authors: Hewett Timothy E. , Myer Gregory D. , Ford Kevin R. , Paterno Mark V. , Quatman Carmen E.
Published: September 2016

Economic and societal pressures influence modern medical practice to develop and implement prevention strategies. Anterior cruciate ligament (ACL) injury devastates the knee joint leading to short term disability and long term sequelae. Due to the high risk of long term osteoarthritis in all treatment populations following ACL injury, prevention is the only effective intervention for this life‐altering disruption in knee health. The “Sequence of Prevention” Model provides a framework to monitor progress towards the ultimate goal of preventing ACL injuries. Utilizing this model, our multidisciplinary collaborative research team has spent the last decade working to delineate injury mechanisms, identify injury risk factors, predict which athletes are at‐risk for injury, and develop ACL injury prevention programs. Within this model of injury prevention, modifiable factors (biomechanical and neuromuscular) related to injury mechanisms likely provide the best opportunity for intervention strategies aimed to decrease the risk of ACL injury, particularly in female athletes. Knowledge advancements have led to the development of potential solutions that allow athletes to compete with lowered risk of ACL injury. Design and integration of personalized clinical assessment tools and targeted prevention strategies for athletes at high risk for ACL injury may transform current prevention practices and ultimately significantly reduce ACL injury incidence. This 2016 OREF Clinical Research Award focuses on the authors’ work and contributions to the field. The author's acknowledge the many research groups who have contributed to the current state of knowledge in the fields of ACL injury mechanisms, injury risk screening and injury prevention strategies. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 34:1843–1855, 2016.
Polysiloxane‐Modified Tetraphenylethene: Synthesis, AIE Properties, and Sensor for Detecting Explosives
Authors: Li Qiaosheng , Yang Zhaomin , Ren Zhongjie , Yan Shouke
Published: September 2016

Polysiloxane‐modified tetraphenylethene (PTPESi) is successfully synthesized by attaching tetraphenylethene (TPE) units onto methylvinyldiethoxylsiloxane and subsequent polycondensation. Introducing polysiloxane into TPE has minimal effect on the photophysical properties and aggregation‐induced emission behavior of TPE. The highest occupied and lowest unoccupied molecular orbital (HOMO and LUMO) energy levels of PTPESi are located mainly on the tetraphenylethene moieties. The fluorescence intensity and the half width of the emission peak of PTPESi before and after annealing at 120 °C for 12 h are nearly the same, indicating high thermal stability and morphological stability. In addition, use of PTPESi film as a sensor toward the vapor‐phase detection of explosives is also studied and it displays quite high fluorescence quenching efficiency and good reversibility.

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GPR40 mediates potential positive effects of a saturated fatty acid enriched diet on bone
Authors: Philippe Claire , Wauquier Fabien , Landrier Jean‐François , Bonnet Lauriane , Miot‐Noirault Elisabeth , Rochefort Gaël Y. , Sadoine Jérémy , Asrih Mohamed , Jornayvaz François R. , Bernalier Annick , Coxam Véronique , Wittrant Yohann
Published: September 2016

Scope

The stimulation of the free fatty acid receptor G‐protein coupled receptor (GPR) 40 by GW9508 prevents bone loss by inhibiting osteoclast activity, both in vitro and in vivo. Here, we questioned whether the stimulation of the GPR40 receptor by dietary fatty acids may lead to the same beneficial effect on bone.

Methods and results

We investigated (i) the impact of a fatty acid enriched diet (high‐fat diet [HFD]) on bone health in C57/BL6 female mice depending on (ii) the estrogen status (ovariectomy) and (iii) the genotype (GPR40+/+ or GPR40−/−). Bone mineral density (BMD), body composition, weight, inflammation and bone remodeling parameters were monitored. HFD decreased BMD in HFD‐SH‐GPR40+/+ mice but OVX failed to further impact BMD in HFD‐OVX‐GPR40+/+mice, while additional bone loss was observed in HFD‐OVX‐GPR40−/− animals. These data suggest that when stimulated by fatty acid enriched diets GPR40 contributes to counteract ovariectomy‐induced bone alteration. The sparing effect is supported by the modulation of both the osteoprotegerin/receptor activator of nuclear factor kappa‐B ligand (OPG/RANKL) ratio in blood stream and the expression level of inflammatory markers in adipose tissues. Bone preservation by GPR40 stimulation is dependent on the presence of long‐chain saturated fatty acids.

Conclusion

GPR40 contributes to counter ovariectomy‐induced bone loss in a context of saturated fatty acid enrichment.
Sacral neuromodulation for refractory overactive bladder after prior intravesical onabotulinumtoxinA treatment
Authors: Hoag Nathan , Plagakis Sophie , Pillay Samantha , Edwards Ailsa Wilson , Gani Johan
Published: September 2016

Aims

Sacral neuromodulation (SNM) is a well‐established treatment modality for refractory overactive bladder (OAB). There is a paucity of evidence examining the use of SNM in patients who have received prior intravesical onabotulinumtoxinA (BTXA) treatment. We aim to review those patients who underwent SNM for refractory OAB following treatment with BTXA.

Methods

A retrospective review was conducted to identify patients who had undergone prior intradetrusor BTXA for refractory OAB, then subsequent first‐stage SNM. Patient demographics, number/dosage of BTXA, voiding diaries, and patient global impression of improvement (PGI‐I) scores were recorded. Successful first‐stage SNM was defined as subjective patient improvement of greater than 50%. Patient satisfaction and device use at last follow‐up was noted.

Results

Eighty‐three patients were identified having undergone SNM for OAB, of which 36 had prior BTXA treatment and were included in the series. 23/36 (63.9%) of patients had successful first‐stage SNM, and underwent insertion of implantable pulse generator, compared to 33/47 (70.2%) in those who had never been treated with BTXA (P = 0.5). Mean PGI‐I score was 2.6 (range 1–4). With a mean follow up of 29.1 months (range 12–53), 17/23 (73.9%) were satisfied, and using the device at last follow‐up.

Conclusion

SNM is a suitable treatment option in those patients who have had prior BTXA treatment for refractory OAB, even in those for whom BTXA proved ineffective. Success rates were within the published range, and comparable to our own results, for SNM in OAB patients without prior BTXA treatment.
Executive functions predict weight loss in a medically supervised weight loss programme
Authors: Galioto R. , Bond D. , Gunstad J. , Pera V. , Rathier L. , Tremont G.
Published: September 2016

Background

Deficits in executive functions are related to poorer weight loss after bariatric surgery; however, less is known about the role that these deficits may play during participation in nonsurgical weight loss programmes. This study examined associations between objectively measured executive functions and weight loss during participation in a medically supervised weight loss programme.

Methods

Twenty‐three adult patients (age 50.4 ± 15.1, BMI 44.2 ± 8.8, 68% female, 92% White) enrolled in a medically supervised weight loss programme, involving prescription of a very low calorie diet and strategies to change eating and activity behaviours, underwent comprehensive computerized testing of executive functions at baseline. Weight was obtained at baseline and 8 weeks. Demographic and clinical information were obtained through medical chart review.

Results

Participants lost an average of 9.8 ± 3.4% of their initial body weight at 8 weeks. Fewer correct responses on a set‐shifting task and faster reaction time on a response inhibition task were associated with lower weight loss percentage at 8 weeks after adjusting for age, education and depressive symptoms. There were no associations between performance on tests of working memory or planning and weight loss.

Conclusions

This study shows that worse performance on a set‐shifting task (indicative of poorer cognitive flexibility) and faster reaction times on a response inhibition test (indicative of higher impulsivity) are associated with lower weight loss among participants in a medically supervised weight loss programme. Pre‐treatment assessment of executive functions may be useful in identifying individuals who may be at risk for suboptimal treatment outcomes. Future research is needed to replicate these findings in larger samples and identify underlying mechanisms.