bluuebunny/crossref_metadata_2025_split huggingface dataset:
Microscopy as a tool to investigate the influence of ammonium polyphosphate particle size on the flame retardant properties of polymer composites
Authors: P. S. Ribeiro Simone , C. Martins Raíssa , R. M. Estevão Luciana , A. C. Nascimento Marco , S. V. Nascimento Regina 
Published: November 2019

AbstractThe influence of ammonium polyphosphate (APP) particle size on the performance of an intumescent formulation and on the synergistic action of a series of montmorillonite samples with different d‐spacings for the production of flame retardant composites was investigated. The polymer matrix employed was poly(ethylene‐co‐butyl acrylate), EBA 30, and the intumescent formulation consisted of APP and pentaerythritol (PER). After being processed, the composites were submitted to scanning electron microscopy (SEM), thermogravimetric analysis, heating microscopy, and limiting oxygen index tests. The results indicate that the greater interaction between the APP and PER molecules, caused by the increase of the contact area promoted by the reduction of the APP particle size, could favor the esterification reaction between APP423 and PER, allowing the formation of a greater amount of char precursors in shorter period of time. In addition, the montmorillonite d‐spacings had a more pronounced influence on the clays synergistic action with the intumescent formulation containing the APP with smaller particle size. Microscopy has shown to be an important tool to investigate APP particle size effect on the fire retardancy. AFM results enabled the detection of nanometric particles in the sample containing the smallest particle size of APP. SEM micrographs showed that those nanometric particles were better dispersed in the matrix, interacting more effectively with the other components, a factor probably responsible for the superior fire retardancy results. Heating microscopy revealed that the material with smaller APP particle size did show some remaining structure at the temperature of 850°C.
Malnutrition and quality of life among adult inflammatory bowel disease patients
Authors: Pulley Jessica , Todd Alwyn , Flatley Christopher , Begun Jakob 
Published: November 2019

Background and AimInflammatory bowel diseases (IBD) are chronic inflammatory conditions of the gut resulting in a significant risk for malnutrition. The reported prevalence of malnutrition in inflammatory disease patients varies from 5.7 to 82.8%. The aim of this study was to measure the prevalence of malnutrition and its association with quality of life (QOL) in a cohort of Australian IBD outpatients.MethodsA total of 107 consecutive patients (68 Crohn's disease, 35 ulcerative colitis, 4 indeterminate colitis) were enrolled in this cross‐sectional study. Demographic data were collected, and patients underwent a malnutrition assessment using the patient‐generated subjective global assessment. The RAND 36‐item health survey was used to measure QOL.ResultsMild to moderate malnutrition was detected in 17 patients (16%). Malnourished patients were more likely to be underweight (P ≤ 0.01), have active disease (P ≤ 0.01), and have been admitted to hospital in the preceding 12 months (P ≤ 0.05). Malnourished patients had a significantly lower QOL in physical (P ≤ 0.01) and mental (P ≤ 0.01) health components. Patients with active or recently active disease had reduced QOL compared to patients in remission. Malnutrition factors predictive of poor physical health‐related QOL were pain (odds ratio [OR] = 12.8, 95% confidence interval [CI] 2.0–80.4) and unintentional weight loss (OR = 3.1 per kg lost, 95% CI 1.2–7.9). The predictor of poor mental health‐related QOL was early satiety (OR = 7.7, 95% CI 1.7–33.9).ConclusionsThe malnutrition prevalence for this population was 16%. Malnutrition was associated with being underweight, active disease, and increased number of hospital admissions. Disease activity and malnutrition were associated with poorer QOL.
Concomitant deletion of SLAM-family receptors, NKG2D and DNAM-1 reveals gene redundancy of NK cell activating receptors in NK cell development and education
Authors: Chen Shasha , Dong Zhongjun 
Published: November 2019

Abstract
NK cells recognize “unwanted” cells using a variety of germline-encoded activating receptors, such as the seven members of signaling lymphocyte activating molecule (SLAM)-family receptors (SFRs), natural killer cell group 2D (NKG2D), and DNAX accessory molecule-1(DNAM-1). Whether these receptors redundantly or synergistically regulate NK cell development and effector function remains poorly understood. By generating mice lacking SFRs, NKG2D, and DNAM-1, separately or in combination, we found that SLAMF6, one of the SFR members, was associated with NK cell differentiation, but its absence had no severe effect on NK cell differentiation and function, likely due to SFR redundancy. Moreover, we revealed that SFRs might work with other NK cell activating receptors in regulating NK cell development and function. We found that SFR deficiency caused an increase in immature NK cell subsets (CD27+CD11b−), and this effect was further augmented by the additional deficiency of NKG2D but not DNAM-1. However, SFR-deficient NK cells exhibited elevated responsiveness against “missing-self” hematopoietic targets, whereas the deletion of either NKG2D or DNAM-1 could partially abrogate the elevated effect of SFR deficiency on NK cell activation. Therefore, our results reveal the complexity of activating receptors in regulating NK cell differentiation and activation, extending our insights into the gene redundancy and compensatory effect of NK cell activating receptors.
Intraseasonal variability of Tibetan Plateau snow cover
Authors: Li Wenkai , Qiu Bo , Guo Weidong , Zhu Zhiwei , Hsu Pang‐Chi 
Published: November 2019

AbstractUsing the daily snow cover data at 24‐km resolution from the Interactive Multi‐sensor Snow and Ice Mapping System snow cover analysis, this study describes the variability in Tibetan Plateau (TP) snow cover (TPSC) at multiple time scales with a focus on the intraseasonal time scale (10–90 days). TPSC demonstrates variability over a wide range of temporal scales, but the annual cycle is generally dominant. Synoptic‐scale variability, seasonal variability and interannual and long‐term changes make small contributions to the total daily variability in TPSC. Intraseasonal variability (ISV) is dominant over most of the central and eastern TP and explains 22–40% of the total variability and leads to obvious variations in TPSC over periods shorter than a season. The ISV of TPSC is more active in the cold season than in the warm season. Specifically, the ISV over the Changtang Plateau explains approximately 50% of the total variability of snow cover in the cold season and is even more dominant than the annual cycle. Possible influences of regional atmospheric circulations on TPSC are also examined. TPSC variability is highly correlated with regional surface air temperature (SAT) and precipitation at an intraseasonal time scale. TPSC and SAT tend to have a simultaneous relationship, while anomalous precipitation leads to subsequent TPSC variations with a lag of approximately 5 days and a positive relationship. Such relationships are the result of intraseasonal variations in regional atmospheric circulation. The anomalous adiabatic heating induced by vertical ascending motion leads to tropospheric temperature variations. Furthermore, the horizontal advection of moisture and apparent moisture sink, which are induced by anomalous moisture supply and snow evaporation anomalies, respectively, lead to anomalous moisture associated with changes in the TPSC.
Impact of customers' digital banking adoption on hidden defection: A combined analytical–empirical approach
Authors: Son Yoonseock , Kwon Hyeokkoo Eric , Tayi Giri K. , Oh Wonseok 
Published: November 2019

AbstractThe implementation of digital channels as avenues for economic transactions (e.g., online and mobile banking/FinTech) has shifted the paradigm of customer–bank interactions, providing unprecedented opportunities for both parties. The prevailing belief is that digital banking has several advantages, such as lower costs and higher information transferability for customers. These benefits can also promote competition between banks given customers' predilection for “multi‐homing,” or engagement with multiple banks. This study investigated the impact of customers' digital banking adoption on hidden defection, in which customers purchase financial products from competing banks instead of their primary banks. To this end, we developed an analytical model to provide insights into the effects of digital banking adoption while taking customers' multi‐homing behaviors into consideration. We then conducted a series of empirical analyses using comprehensive individual‐level transaction data to provide evidence of hidden defection. Our findings indicate that customers with higher loyalty exhibit greater hidden defection after digital banking adoption. Customers who engage primarily with personal‐service channels (e.g., branches) show stronger hidden defection than do self‐service channel (e.g., ATMs) users, and this effect is more prevalent among loyal customers. Our results provide valuable implications for omni‐channel services in a market characterized by multi‐homing behavior of customers.
Worry and anger from flight delay: Antecedents and consequences
Authors: Jiang Yawei , Li Shanshi , Huang Jingzhe , Scott Noel 
Published: November 2019

AbstractTourists may experience the same negative event during their travel but evoke different emotions, some may express anger, and others undertake dangerous actions. An understanding of the relationship between such negative events, the emotions elicited, and tourists' subsequent actions will help in managing these emotional situations. This study adopts cognitive appraisal theory to examine the antecedents of tourists' negative emotions (worry and anger) evoked by a flight delay and their respective effects on tourists' behavioural intentions. Data were collected from 610 tourists who experienced a flight delay during travel. The results demonstrate that, as predicted by cognitive appraisal theory, the appraisal dimensions of goal incongruence, certainty, and other agency are the common determinants of worry and anger, whereas the appraisal of circumstance agency is negatively related with anger. The results also reveal that anger can lead to tourists' switching intentions, complaining behaviours, and negative word‐of‐mouth, whereas worry only affects complaining behaviours. This study extends our knowledge of appraisal dimensions that lead to tourists' emotions of worry and anger. It also discusses the impacts of such emotions have on tourists' behavioural intentions.
The Vicious Cycle Between α‐Synuclein Aggregation and Autophagic‐Lysosomal Dysfunction
Authors: Bellomo Giovanni , Paciotti Silvia , Gatticchi Leonardo , Parnetti Lucilla 
Published: November 2019

ABSTRACTThe accumulation and misfolding of α‐synuclein (α‐syn) represent the main pathological hallmark of PD. Overexpression of α‐syn and failure of cellular protein degradation systems play a major role in α‐syn aggregation. The discovery of PD‐associated genes related to the autophagic‐lysosomal pathway, such as VPS35, LRRK2, GBA1, SMPD1, GALC, ASAH1, SCARB2, CTSD, CTSB, and GLA, confirms the involvement of cellular clearance systems dysfunction in PD pathogenesis. Of importance, lysosomal enzyme activity is altered both in genetic and sporadic PD. Decreased lysosomal enzymes activities were measured in the same brain regions where α‐syn accumulates, suggesting that a crosstalk between α‐syn aggregation and autophagic‐lysosomal impairment may exist. The understanding of autophagic‐lysosomal pathway dysfunctions’ role in the pathogenesis and progression of synucleinopathies opened new perspectives for novel possible therapeutic strategies. In this article, the evidences and mechanisms of the reciprocal relation between autophagic‐lysosomal pathway impairment and misfolded α‐syn aggregation and propagation are reviewed, together with the most promising compounds targeting autophagic‐lysosomal pathway restoration as a disease‐modifying strategy for PD treatment. © 2019 International Parkinson and Movement Disorder Society
Detecting liver fibrosis using a machine learning‐based approach to the quantification of the heart‐induced deformation in tagged MR images
Authors: Ahmed Yasmine , Hussein Rasha S. , Basha Tamer A. , Khalifa Ayman M. , Ibrahim Ahmed S. , Abdelmoaty Ahmed S. , Abdella Heba M. , Fahmy Ahmed S. 
Published: November 2019

Liver disease causes millions of deaths per year worldwide, and approximately half of these cases are due to cirrhosis, which is an advanced stage of liver fibrosis that can be accompanied by liver failure and portal hypertension. Early detection of liver fibrosis helps in improving its treatment and prevents its progression to cirrhosis. In this work, we present a novel noninvasive method to detect liver fibrosis from tagged MRI images using a machine learning‐based approach. Specifically, coronal and sagittal tagged MRI imaging are analyzed separately to capture cardiac‐induced deformation of the liver. The liver is manually delineated and a novel image feature, namely, the histogram of the peak strain (HPS) value, is computed from the segmented liver region and is used to classify the liver as being either normal or fibrotic. Classification is achieved using a support vector machine algorithm. The in vivo study included 15 healthy volunteers (10 males; age range 30–45 years) and 22 patients (15 males; age range 25–50 years) with liver fibrosis verified and graded by transient elastography, and 10 patients only had a liver biopsy and were diagnosed with a score of F3‐F4. The proposed method demonstrates the usefulness and efficiency of extracting the HPS features from the sagittal slices for patients with moderate fibrosis. Cross‐validation of the method showed an accuracy of 83.7% (specificity = 86.6%, sensitivity = 81.8%).
A DFT probe on the linear and nonlinear optical characteristics of some star‐shaped DI‐π‐DII‐Atype acetylene‐bridged rigid triazines
Authors: V. M. Vidya , Chetti Prabhakar 
Published: November 2019

AbstractThe density functional theory (DFT) computations of linear and nonlinear optical characteristics of nine star‐shaped DI‐π‐DII‐Atype molecules, which encompass electron‐donating phenyl rings connected by acetylene linkage and an electron‐accepting triazine core, were accomplished in present work. The phenyl rings were augmented with functionalities of diverse electron‐donating and electron‐accepting abilities to inspect the effects of substituents on linear and nonlinear optical properties of molecules. The assessment of the potential nonlinear nature of molecules was carried out by computing their second‐order nonlinearities using DFT methods to find that target molecules possessed superior nonlinear optical characteristics. The influence of various DFT methods and basis sets on optical characteristics was also scrutinized.
Unraveling photoexcitation dynamical behavior for bis (salicylidene)‐1,5‐diaminonaphthalene (BSD) system
Authors: Wang Jiemin , Liu Qiang , Yang Dapeng 
Published: November 2019

AbstractIn this work, a new excited state intramolecular proton transfer (ESIPT) mechanism of bis (salicylidene)‐1,5‐diaminonaphthalene (BSD) is proposed based on density functional theory (DFT) and time‐dependent DFT methods. Given the intramolecular dual hydrogen bonds of BSD, we explore the excited state hydrogen bonding interactions for BSD and verify that the dual intramolecular hydrogen bonds of BSD molecule should be strengthened in the first excited state. Further, in the analyses about charge distribution upon excitation, we confirm that the charge redistribution around hydrogen bonding moieties plays important roles in enhancing dual hydrogen bonds and in facilitating ESIPT process. To reveal the detailed ESIPT mechanism, we construct the potential energy surfaces (PESs) in both S0 and S1 states along with hydrogen bonds. Via comparing potential energy barriers among the stable structures on the S1‐state PES, we present the excited state intramolecular single proton transfer mechanism for BSD system. Moreover, the phenomenon and properties of fluorescence for BSD in experiment could be explained reasonably based on the ESIPT mechanism presented in this work.
Synthesis and properties of sulfur‐contained poly(silylene arylacetylene)s
Authors: Li Chuan , Luo Jiawei , Ma Manping , Tang Junkun , Yuan Qiaolong , Huang Farong 
Published: November 2019

ABSTRACTPoly(silylene arylacetylene) (PSA) is a kind of poly(arylacetylene) silicon‐containing resins with excellent heat resistance and good mechanical performances. In this article, the sulfur atom is introduced into the main chain of the PSA molecule to obtain a sulfur‐containing poly(silylene arylacetylene), named S‐PSA. By Williamson and Sonogashira reactions, bis(4‐ethynylphenyl)sulfide and bis(4‐ethynylphenyl)sulfone were synthesized. Thereafter, through Grignard reagent way, the poly(silylene ethynylene phenylene sulfide phenylene ethynylene) (PSESE) and poly(silylene ethynylene phenylene sulfone phenylene ethynylene) (PSESO2E) were synthesized from bis(4‐ethynylphenyl)sulfide, bis(4‐ethynylphenyl)sulfone, and methylphenyl dichlorosilane. Poly(silylene ethynylene phenylene sulfoxide phenylene ethynylene) (PSESOE) was synthesized by the oxidation of PSESE. The structures and properties of these resins were characterized and the mechanical properties of the T300 reinforced composites were tested. The results show that the novel S‐PSA resins have excellent heat resistance and good mechanical properties, and could be used as resin matrices for high‐performance composites in high‐tech fields. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 2324–2332
Thoracic spine manipulation did not improve maximal mouth opening in participants with temporomandibular dysfunction
Authors: Thorp Jacob N. , Willson John 
Published: November 2019

AbstractBackground and PurposeTemporomandibular joint disorders (TMD) have a prevalence of more than 5% in the general population. A positive correlation exists between temporomandibular joint mobility and cervical spine mobility. Similarly, a relationship exists between thoracic and cervical spine mobility. However, it is unknown if interventions to improve the mobility of the thoracic spine positively impact temporomandibular joint motion and pain. This study tested the hypothesis that a single thoracic thrust joint manipulation (TJM) would improve maximum mouth opening (MMO) compared with participants without TMD as well as decrease TMD symptoms.MethodsForty‐eight people with TMD (30.9 years old ±11.3) and 55 people without TMD (28.5 years old ±9.2) participated. Both groups received a seated upper thoracic TJM and were measured for MMO before and immediately following the TJM. The duration of TMD symptoms and pre‐thrust current pain, using the 11‐point Verbal Pain Rating Scale (VPRS), was recorded in the TMD group. Participants in the TMD group were contacted 2–3 days after TJM to report current VPRS and improvement utilizing the Global Rating of Change (GROC) scale.ResultsNo difference in MMO treatment response over time was observed between groups (p = .56). The MMO in the TMD group improved from 40 to 41.3 mm, and the non‐TMD similarly improved from 44.5 to 45.4 mm. The VPRS decreased from 2.4 (±1.8) to 1.3 (±1.5) following thoracic TJM (p < .001), and the average GROC score was 1.8 (±2.25), which was statistically different than zero (no change; p < .001). The duration of TMD symptoms prior to TJM was not associated with GROC scores (r = .018, p = .90) or VPRS change scores (r = −.07, p = .64).ConclusionThe observed treatment effects did not exceed previously reported standards for clinical relevance (5 mm and 2 points, respectively).
Temperature dependence of NMR chemical shifts: Tracking and statistical analysis
Authors: Trainor Kyle , Palumbo Jeffrey A. , MacKenzie Duncan W. S. , Meiering Elizabeth M. 
Published: November 2019

AbstractIsotropic chemical shifts measured by solution nuclear magnetic resonance (NMR) spectroscopy offer extensive insights into protein structure and dynamics. Temperature dependences add a valuable dimension; notably, the temperature dependences of amide proton chemical shifts are valuable probes of hydrogen bonding, temperature‐dependent loss of structure, and exchange between distinct protein conformations. Accordingly, their uses include structural analysis of both folded and disordered proteins, and determination of the effects of mutations, binding, or solution conditions on protein energetics. Fundamentally, these temperature dependences result from changes in the local magnetic environments of nuclei, but correlations with global thermodynamic parameters measured via calorimetric methods have been observed. Although the temperature dependences of amide proton and nitrogen chemical shifts are often well approximated by a linear model, deviations from linearity are also observed and may be interpreted as evidence of fast exchange between distinct conformational states. Here, we describe computational methods, accessible via the Shift‐T web server, including an automated tracking algorithm that propagates initial (single temperature) 1H15N cross peak assignments to spectra collected over a range of temperatures. Amide proton and nitrogen temperature coefficients (slopes determined by fitting chemical shift vs. temperature data to a linear model) are subsequently calculated. Also included are methods for the detection of systematic, statistically significant deviation from linearity (curvature) in the temperature dependences of amide proton chemical shifts. The use and utility of these methods are illustrated by example, and the Shift‐T web server is freely available at http://meieringlab.uwaterloo.ca/shiftt.
Current developments in Coot for macromolecular model building of Electron Cryo‐microscopy and Crystallographic Data
Authors: Casañal Ana , Lohkamp Bernhard , Emsley Paul 
Published: November 2019

AbstractCoot is a tool widely used for model building, refinement, and validation of macromolecular structures. It has been extensively used for crystallography and, more recently, improvements have been introduced to aid in cryo‐EM model building and refinement, as cryo‐EM structures with resolution ranging 2.5–4 A are now routinely available. Model building into these maps can be time‐consuming and requires experience in both biochemistry and building into low‐resolution maps. To simplify and expedite the model building task, and minimize the needed expertise, new tools are being added in Coot. Some examples include morphing, Geman‐McClure restraints, full‐chain refinement, and Fourier‐model based residue‐type‐specific Ramachandran restraints. Here, we present the current state‐of‐the‐art in Coot usage.