bluuebunny/crossref_metadata_2025_split huggingface dataset:
De Novo Modular Development of a Foldameric Protein–Protein Interaction Inhibitor for Separate Hot Spots: A Dynamic Covalent Assembly Approach
Authors: Bartus Éva , Hegedüs Zsófia , Wéber Edit , Csipak Brigitta , Szakonyi Gerda , Martinek Tamás A. 
Published: March 2017

AbstractProtein–protein interactions stabilized by multiple separate hot spots are highly challenging targets for synthetic scaffolds. Surface‐mimetic foldamers bearing multiple recognition segments are promising candidate inhibitors. In this work, a modular bottom‐up approach is implemented by identifying short foldameric recognition segments that interact with the independent hot spots, and connecting them through dynamic covalent library (DCL) optimization. The independent hot spots of a model target (calmodulin) are mapped with hexameric β‐peptide helices using a pull‐down assay. Recognition segment hits are subjected to a target‐templated DCL ligation through thiol–disulfide exchange. The most potent derivative displays low nanomolar affinity towards calmodulin and effectively inhibits the calmodulin–TRPV1 interaction. The DCL assembly of the folded segments offers an efficient approach towards the de novo development of a high‐affinity inhibitor of protein–protein interactions.
How Cohesive is the Chinese Bureaucracy? A Case Study of Street‐level Bureaucrats in China
Authors: Zang Xiaowei 
Published: March 2017

SummaryInstitutional analyses of the developmental state claim that the principal source of state capacity is internal cohesiveness, which is defined as the tendency for the rank and file of the civil service to be in unity while working together towards national goals. In the literature on the China model, the strong capacity of the Chinese state has been taken for granted, and internal cohesiveness in the Chinese bureaucracy has not been problematized. This knowledge gap is narrowed by studying data on the Bureau of Urban Management (i.e. Chengguan) in China. Recent studies are reviewed of bureaucratic logics and behaviour that question the extent of collaboration between higher authorities and their subordinates (i.e. vertical cohesiveness) in China. Next, the essay theorizes about how these bureaucratic logics may also undermine collaboration among government bureaus (horizontal cohesiveness). Background information is offered about Chengguan and reports on the challenges identified by Chengguan officers to work with people in other bureaus. The research does not find any solid evidence of horizontal cohesiveness in the Chinese bureaucracy. This calls for an effort to reassess the validity of the China model. Copyright © 2017 John Wiley & Sons, Ltd.
High expression of insulin receptor on tumour‐associated blood vessels in invasive bladder cancer predicts poor overall and progression‐free survival
Authors: Roudnicky Filip , Dieterich Lothar C , Poyet Cedric , Buser Lorenz , Wild Peter , Tang Dave , Camenzind Peter , Ho Chien Hsien , Otto Vivianne I , Detmar Michael 
Published: March 2017

AbstractBladder cancer is a frequently recurring disease with a very poor prognosis once progressed to invasive stages, and tumour‐associated blood vessels play a crucial role in this process. In order to identify novel biomarkers associated with progression, we isolated blood vascular endothelial cells (BECs) from human invasive bladder cancers and matched normal bladder tissue, and found that tumour‐associated BECs greatly up‐regulated the expression of insulin receptor (INSR). High expression of INSR on BECs of invasive bladder cancers was significantly associated with shorter progression‐free and overall survival. Furthermore, increased expression of the INSR ligand IGF‐2 in invasive bladder cancers was associated with reduced overall survival. INSR may therefore represent a novel biomarker to predict cancer progression. Mechanistically, we observed pronounced hypoxia in human bladder cancer tissue, and found a positive correlation between the expression of the hypoxia marker gene GLUT1 and vascular INSR expression, indicating that hypoxia drives INSR expression in tumour‐associated blood vessels. In line with this, exposure of cultured BECs and human bladder cancer cell lines to hypoxia led to increased expression of INSR and IGF‐2, respectively, and IGF‐2 increased BEC migration through the activation of INSR in vitro. Taken together, we identified vascular INSR expression as a potential biomarker for progression in bladder cancer. Furthermore, our data suggest that IGF‐2/INSR mediated paracrine crosstalk between bladder cancer cells and endothelial cells is functionally involved in tumour angiogenesis and may thus represent a new therapeutic target. Copyright © 2017 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Economic impact of medication error: a systematic review
Authors: Walsh Elaine K. , Hansen Christina Raae , Sahm Laura J. , Kearney Patricia M. , Doherty Edel , Bradley Colin P. 
Published: March 2017

AbstractPurposeMedication error is a significant source of morbidity and mortality among patients. Clinical and cost‐effectiveness evidence are required for the implementation of quality of care interventions. Reduction of error‐related cost is a key potential benefit of interventions addressing medication error. The aim of this review was to describe and quantify the economic burden associated with medication error.MethodsPubMed, Cochrane, Embase, CINAHL, EconLit, ABI/INFORM, Business Source Complete were searched. Studies published 2004–2016 assessing the economic impact of medication error were included. Cost values were expressed in Euro 2015. A narrative synthesis was performed.ResultsA total of 4572 articles were identified from database searching, and 16 were included in the review. One study met all applicable quality criteria. Fifteen studies expressed economic impact in monetary terms. Mean cost per error per study ranged from €2.58 to €111 727.08. Healthcare costs were used to measure economic impact in 15 of the included studies with one study measuring litigation costs. Four studies included costs incurred in primary care with the remaining 12 measuring hospital costs. Five studies looked at general medication error in a general population with 11 studies reporting the economic impact of an individual type of medication error or error within a specific patient population.ConclusionsConsiderable variability existed between studies in terms of financial cost, patients, settings and errors included. Many were of poor quality. Assessment of economic impact was conducted predominantly in the hospital setting with little assessment of primary care impact. Limited parameters were used to establish economic impact. Copyright © 2017 John Wiley & Sons, Ltd.
Sample size of the reference sample in a case‐augmented study
Authors: Ghosh Palash , Dewanji Anup 
Published: March 2017

AbstractThe case‐augmented study, in which a case sample is augmented with a reference (random) sample from the source population with only covariates information known, is becoming popular in different areas of applied science such as pharmacovigilance, ecology, and econometrics. In general, the case sample is available from some source (for example, hospital database, case registry, etc.); however, the reference sample is required to be drawn from the corresponding source population. The required minimum size of the reference sample is an important issue in this regard. In this work, we address the minimum sample size calculation and discuss related issues. Copyright © 2017 John Wiley & Sons, Ltd.
Synthesis and ethylene polymerization of 8‐(fluorenylarylimino)‐5,6,7‐trihydroquinolylnickel chlorides: Tailoring polyethylenes by adjusting fluorenyl position and adduct Et2Zn
Authors: Zeng Yanning , Mahmood Qaiser , Hao Xiang , Sun Wen‐Hua 
Published: March 2017

ABSTRACTA series of 8‐(arylimino)‐5,6,7‐trihydroquinolines ligand pendant fluorenyl group at N‐aryl ring, and their nickel complexes (Ni1 − Ni5) have been prepared and characterized. Once activated with Et2AlCl, the complexes Ni1, Ni2, and Ni3 bearing ligands from para‐fluorenylaniline produced unimodal polyethylenes; on the contrary complexes Ni4 and Ni5 gave bimodal polyethylenes due to steric influence of ligands from ortho‐fluorenyl anilines. With a increment of Et2Zn/Ni4 ratio from 0 to 400, the distinct bimodel polyethylenes were obtained with molecular weights shifted from 14.3 to 57.6 kg·mol−1; apart shiftment to higher molecular weights, the portion of low molecular weight decreased along with higher portion of high molecular weight. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 1910–1919
Rice Autonomous Harvesting: Operation Framework
Authors: Kurita Hiroki , Iida Michihisa , Cho Wonjae , Suguri Masahiko 
Published: March 2017

This paper reports on an operation framework for autonomous rice harvesting. We developed an integrated algorithm for robotic operation and cooperation with farmworkers to automate each subsection of the harvesting and unloading process and of the processes that bridge them (homing and restarting). The algorithm was installed into a head‐feeding combine robot. The robot followed a target path based on its absolute position and orientation, planning a counterclockwise spiral path in a rectangular paddy field, and returned to a position close to a farm road when its grain tank was filled to a specified level. The grain unloading operation was automated using a machine vision system. As the restarting process (return to harvesting) was also automated, the combine robot was able to harvest a rectangular field autonomously by cyclically repeating the harvesting, homing, unloading, and restarting operations. Under field conditions, the robot was able to follow the target path within tolerable lateral and azimuth errors while harvesting rice successfully, and to unload the harvested grain into a wagon without spillage. The root mean square error of the lateral and azimuth errors during harvesting were 0.04 m and 2.6°, respectively. In the homing operation, the robot returned to a given line within ± 0.1 m and aligned its heading to the direction of the line within ± 4°. The robot recognized the arbitrarily parked wagon and positioned its auger spout at the target point with a respective horizontal and vertical accuracy of ± 0.2 m and ± 0.3 m. Harvesting time accounted for 50%–60% of the entire robotic operation. Homing scheduling and dispatch control for the wagon were found to be of importance for developing a more efficient robotic operation.
Sulfonic Acid Functionalized Chitosan as a Sustainable Component for Proton Conductivity Management in PEMs
Authors: Ressam Ibtissam , Krins Natacha , Laberty‐Robert Christel , Selmane Mohamed , Lahcini Mohammed , Raihane Mustapha , Kadib Abdelkrim El , Perrot Hubert , Sel Ozlem 
Published: March 2017

AbstractOne of the most fundamental assets of natural polysaccharides is their water storage capacity. Analogically, materials able to regulate water hydration in energetic systems (e.x.: fuel‐cells) are of paramount interest. In light of this key characteristic, chitosan, an aminocarbohydrate derived from shellfish waste, was structurally conjugated using sulfosuccinic acid to afford CS‐SO3H. The resulting polymeric material appears well suitable for enhancing proton conduction and tuning the hydrophilic‐hydrophobic balance of the proton exchange membranes (PEM). Consequently, Nafion membrane modified with CS‐SO3H presented σH+ values almost 2 times higher than that of pristine Nafion at every % RH level exposed (30 °C ‐ 80 °C and 30% ‐ 90%). The σH+ enhancement is in agreement with the lower activation energy indicating that the proton transport is facilitated in the presence of ‐SO3H modified chitosan. We have found indications that –SO3H modified chitosan polymer, as a sustainable additive to Nafion is able to control the proton conduction mechanism and keep the activation energy for proton conduction at lower values as compared to pristine Nafion.
Exciton Coupling of Phenylalanine Reveals Conformational Changes of Cationic Peptides
Authors: Bortolini Christian , Liu Lei , Hoffmann Søren V. , Jones Nykola C. , Knowles Tuomas P. J. , Dong Mingdong 
Published: March 2017

AbstractCircular dichroism (CD) is a versatile tool to investigate the secondary structure of proteins. Conventionally, CD signals in the far‐UV region are primarily attributed to peptide bond absorption; likewise aromatic residue analysis has typically only focussed on the near‐UV absorption characteristics. However, crucial information that is contained in electronic transitions occurring in the far‐UV has not been fully exploited to date, despite the significant potential offered by such measurements to yield a window into protein structure and self‐assembly under native conditions. In this work, we strive towards a quantitative interpretation of CD spectra by detailing the contributions of aromatic chromophores in the far‐UV and accurately describing unfolded states of charged amino acid side chains. To this end, we probe conformational changes of cationic peptides, which impact on their antimicrobial activity, as a function of pH and we show that the emerging far‐UV signatures yield information on phenylalanine exciton coupling. This work thus furthers our understanding of the folding mechanisms of cationic peptides, which are considered to be molecules of key interest in the context of overcoming antimicrobial resistance.
Self‐Assembly and Fluorescence Properties of [60]Fullerene‐Pentacene Monoadducts
Authors: Kubo Kentaro , Tajima Tomoyuki , Shirai Hitoshi , Nishihama Takuya , Takaguchi Yutaka 
Published: March 2017

AbstractThe highly soluble [60]fullerene‐pentacene monoadducts 2 a and 2 b were synthesized by a Diels‐Alder reaction between [60]fullerene and pentacene derivatives. The single‐crystal X‐ray diffraction analysis of 2 a revealed an attractive intermolecular interaction between [60]fullerene moiety of one molecule and the pentacene arms of an adjacent molecule, resulting in the formation of head‐to‐tail dimers in solution. This self‐association behavior of 2 a and 2 b was also observed by 1H NMR and fluorescence spectroscopy in chloroform. Both the excitation and emission wavelengths can be modulated via the concentration of 2 a and 2 b.
A Mild, Convenient and Efficient Sodium Nitrite Mediated Hydrolysis of α‐Halo Ketones to Corresponding α‐Hydroxy Ketones
Authors: Ghorpade Archana K. , Akamanchi Krishnacharya G. 
Published: March 2017

AbstractA novel, concise and efficient method for conversion of α‐halo ketones into α‐hydroxy ketones using sodium nitrite in dimethylformamide(DMF) as solvent has been developed. This transformation is believed to proceed viain situ generation of alkyl nitrite intermediatesfollowed by hydrolysis to form α‐hydroxy ketones. The salient features of this protocol are mild reaction conditions, short reaction time and very good to excellent yields.
Amberlite IRA 402(OH) Mediated Green Synthesis of Novel Benzothiazole–quinoline Conjugates as Cancer Theranostics
Authors: Chhabra Mohit , Babu Lavanya Thilak , Mondal Ashaparna , Sun Hongyan , Paira Priyankar 
Published: March 2017

AbstractWe have introduced Amberlite IRA 402(OH) mediated green synthesis of benzothiazolyl quinoline based fluorescent scaffolds (6a–l) for cancer theranostic application. Compounds 6 b (8‐[2‐(2‐benzothiazol‐2‐yl‐phenoxy)‐ethoxy]‐5,7‐dibromoquinoline),6 d (8‐[2‐(2‐benzothiazol‐2‐yl‐phenoxy)‐ethoxy]‐5‐chloro‐7‐iodoquinoline) and6 g (8‐[2‐(2‐benzothiazol‐2‐yl‐phenoxy)‐propoxy]‐5‐chloroquinolin ‐e) demonstrated more or comparable cytotoxicity tocisplatin against all the tested cancer cell lines. Most of the synthesized compounds are 3–25 folds more selective in cancer cell line than normal fibroblast (MRC‐5 or HEK‐293). It was also evident that compound 6 a (8‐[2‐(2‐benzothiazol‐2‐yl‐phenoxy)‐ethoxy]‐quinoline) can be utilized as cancer theranostic agent since it has good quantum yield in water, significant cellular uptake, high potency and selectivity in all the cancer cell lines.
Pushing SmI2 Reactions towards the Limit‐ Entropy Driven Reduction of a Benzene Ring
Authors: Maity Sandeepan , Hoz Shmaryahu 
Published: March 2017

AbstractIn order to reduce a benzene ring, alkali metals or similar strong reducing agents are needed. We have found that SmI2, which is considered to be a relatively mild reagent, can also perform this task. This is achieved by attaching a side arm of either ethanolamine or ethylenediamine to a benzene ring. These side arms strongly coordinate to SmI2, holding it in close vicinity to the benzene ring. As a result, the probability of electron transfer from the SmI2 to the benzene ring is significantly increased. However, at the same time, this proximity also enhances the rate of the back electron transfer. In order to slow the rate of this step, small amounts of water and Et3N were added to the reaction mixture. The two typical products of the classical Birch reduction of benzene were obtained with a yield as high as 95 %. This method was also applied to the corresponding chlorobenzene and methylbenzoate where the reactions were much enhanced but functionality reduction prevailed over ring reduction. It is remarkable that going from a termolecular to a unimolecular reaction is more effective than excitation of the SmI2 around 600 nm which is equivalent to ca. 47 kcal/mol.
Selective Oxidation of Allyl Alcohol to Acrylic Acid in Base‐Free Aqueous Solution
Authors: Kim Minsu , Lee Hyunjoo 
Published: March 2017

AbstractAcrylic acid, which is an important chemical with various downstream applications, is currently produced from petroleum. A new pathway for producing acrylic acid using a more sustainable and environmentally friendly method has been actively pursued, especially starting from biomass‐derived glycerol. In this work, selective oxidation of allyl alcohol, which can be produced from glycerol with >99 % yield without catalyst, into acrylic acid was investigated using only water, allyl alcohol, and catalyst under a pressurized oxygen condition. Among various metal catalysts, Pd showed the highest activity for acrylic acid production. Oxidation, hydration, and hydrogenation pathways were observed at the same time. When Pd nanoparticle catalysts were used, the catalyst capped with starch produced hydrogenated species of propanal and propionic acid less with a high yield for acrylic acid. The effects of reaction temperature, oxygen pressure, and the amount of reactant and catalyst were evaluated.
Dynamic Written Corrective Feedback in Developmental Multilingual Writing Classes
Authors: Kurzer Kendon 
Published: March 2017

This study investigated the role of dynamic written corrective feedback (DWCF; Evans, Hartshorn, McCollum, & Wolfersberger, 2010; Hartshorn & Evans, 2015; Hartshorn et al., 2010), a mode of providing specific, targeted, and individualized grammar feedback in developmental English as a second language (ESL) writing classes (pre–first year composition) at a large western U.S. research university. Via a quasi‐experimental design investigating DWCF at three different levels of developmental ESL writing classes across three terms with 325 student participants, results of this study suggest that multilingual students become better at self‐editing and have more accurate timed writing paragraphs after taking classes that supplement grammar instruction using DWCF than those who take classes with only traditional grammar instruction. Specific error categories were investigated (global, local, and mechanical, per Bates, Lane, & Lange, 1993), with largely significant results across all error types at each language level, indicating that DWCF may be an effective pedagogical intervention to improve linguistic accuracy.
BeamDyn: a high‐fidelity wind turbine blade solver in the FAST modular framework
Authors: Wang Qi , Sprague Michael A. , Jonkman Jason , Johnson Nick , Jonkman Bonnie 
Published: March 2017

AbstractThis paper presents a numerical implementation of the geometrically exact beam theory based on the Legendre‐spectral‐finite‐element (LSFE) method. The displacement‐based geometrically exact beam theory is presented, and the special treatment of three‐dimensional rotation parameters is reviewed. An LSFE is a high‐order finite element with nodes located at the Gauss–Legendre–Lobatto points. These elements can be an order of magnitude more computationally efficient than low‐order finite elements for a given accuracy level. The new module, BeamDyn, is implemented in the FAST modularization framework for dynamic simulation of highly flexible composite‐material wind turbine blades within the FAST aeroelastic engineering model. The framework allows for fully interactive simulations of turbine blades in operating conditions. Numerical examples are provided to validate BeamDyn and examine the LSFE performance as well as the coupling algorithm in the FAST modularization framework. BeamDyn can also be used as a stand‐alone high‐fidelity beam tool. Copyright © 2017 John Wiley & Sons, Ltd.
Thermodynamic Association Behaviors of Sodium Dodecyl Sulfate (SDS) with Poly(4‐vinylpyridine N‐oxide) (PVPNO) at Different pH Values and Ionic Strengths
Authors: Wang Hao , Fan Yaxun , Wang Yilin 
Published: March 2017

AbstractThe interaction of sodium dodecyl sulfate (SDS) with poly(4‐vinylpyridine N‐oxide) (PVPNO) at different pH values and ionic strengths has been studied by isothermal titration microcalorimetry, electrical conductivity and turbidity measurements. The solution pH significantly effects the formation of the PVPNO/SDS complex. At pH 1.5, the polymer PVPNO is a strong polycation, and the binding is dominated by electrostatic 1:1 charge neutralization with the anionic surfactant. At pH 6 and 8, the electrostatic attraction between SDS and PVPNO is weak, and the hydrophobic interaction becomes stronger. The effect of salt concentration on the interaction of SDS and PVPNO depends on the competition between the increase of interaction and the screening of interaction. This study based on the thermodynamic process gained deep insight into the effects of pH value and ionic strength on the interaction mechanism of surfactant with polyelectrolyte. We also constructed a simple model for the interaction of PVPNO and SDS system in different solution regions.
Brain rhythm attractor breakdown in Alzheimer's disease: Functional and pathologic implications
Authors: Karageorgiou Elissaios , Vossel Keith A. 
Published: March 2017

AbstractThis perspective binds emerging evidence on the bidirectional relationship between Alzheimer's disease (AD) and sleep disorders through a model of brain rhythm attractor breakdown. This approach explains behavioral‐cognitive changes in AD across the sleep‐wake cycle and supports a causal association between early brainstem tau pathology and subsequent cortical amyloid β accumulation. Specifically, early tau dysregulation within brainstem‐hypothalamic nuclei leads to breakdown of sleep‐wake attractor networks, with patients displaying an attenuated range of behavioral and electrophysiological activity patterns, a “twilight zone” of constant activity between deep rest and full alertness. This constant cortical activity promotes activity‐dependent amyloid β accumulation in brain areas that modulate their activity across sleep‐wake states, especially the medial prefrontal cortex. In addition, the accompanying breakdown of hippocampal–medial prefrontal cortex interplay across sleep stages could explain deficient memory consolidation through dysregulation of synaptic plasticity. Clinical implications include the potential therapeutic benefit of attractor consolidation (e.g., slow‐wave sleep enhancers) in delaying AD progression.