bluuebunny/crossref_metadata_2025_split huggingface dataset:
Carbon fiber reinforced areca/sisal hybrid composites for railway interior applications: Mechanical and morphological properties
Authors: Jagadeesh Praveenkumara , Puttegowda Madhu , Girijappa Yashas Gowda Thyavihalli , Rangappa Sanjay Mavinkere , Siengchin Suchart 
Published: October 2021

AbstractThe present experimental investigation focuses on the development of Areca/Sisal/Carbon reinforced epoxy hybrid composites under various stacking sequences and involves the assessment of their mechanical and morphological properties to evaluate their use in some railway interior applications. Nine different combinations of laminates were prepared by using the manual hand layup technique. Mechanical experiments such as tensile, flexural, impact, inter‐laminar shear strength and hardness tests were performed and the results envied the positive values which suggest the use of composites prepared in the study to be employed in some railway interior parts. The morphology of the composites was scrutinized using scanning electron microscopy and exposed the proper agglomeration of fibers in the matrix which in turn has influenced better mechanical properties. The experimental results convey that the hybridization of natural and synthetic fibers in polymer matrix would be an exciting prospect to be utilized in some railway interior applications.
Biocomposites based on starch with multi‐functionalized graphene oxide: Effect of graft composition and concentration
Authors: Cruz‐Benítez María Montserrat , Castro‐Rosas Javier , González‐Morones Pablo , Santos‐López Eva Maria , Villagómez‐Ibarra José Roberto , Tlahuextl‐Romero Angela Margarita , Fonseca‐Florido Heidi Andrea , Gómez‐Aldapa Carlos Alberto 
Published: October 2021

AbstractThe current global scenario has a great impact on the development of new bio‐based materials due to the vital advantages that are helpful in replacing synthetic and hazardous materials. In this study, biocomposites (BC) of cassava starch/grafts of multi‐functionalized graphene oxide were synthesized by solvent casting. To improve their interface compatibility, graphene oxide (GO) was grafted with fructose, microcellulose and/or starch. The multi‐functionalization of GO (grafts) was determined by Fourier transform infrared and Raman spectroscopy. The results confirm the covalent bond between GO and organic molecules, with a grafting average percentage of 45% by weight. Subsequently, the effects of the concentrations and composition of grafts on surface morphology (SEM) showed that the use of multi‐functionalized GO with organic molecules improves the compatibility and graft‐matrix interaction, preventing agglomeration, and it favors the formation of well‐dispersed BC. The thermogravimetric analysis (TGA) revealed significant improvement in the thermal stability of BC with grafts at 3%. The mechanical properties of BC showed tensile strength values were four (4) times higher as compared with those of CS matrix. The elongation at break values was also directly related to the concentration and type of grafts. The functionalization of GO with organic molecules allows to obtain BC with good thermomechanical properties, reducing the load of GO, which increases their applications. This knowledge can be used to the development of homogeneous and high‐quality BC through the modification of the GO structure as a fundamental step to improve graft‐matrix interactions.
General practitioner prescribing trends among pediatric patients in the United Kingdom: 1998–2018
Authors: Masarwa Reem , Lefebvre Claire , Platt Robert W. , Filion Kristian B. 
Published: October 2021

AbstractPurposeTo describe the prescribing trends of 17 therapeutic drug categories and the specific drug classes of systemic antibiotics, analgesics, and antidepressants in children and adolescents in the United Kingdom between 1998 and 2018.MethodsA population‐based retrospective cohort study including children and adolescents aged 018 years. Overall and annual prescription rates per 10 000 person‐years and corresponding 95% confidence intervals (CIs) were calculated. Rate ratios and 95% CIs were calculated to assess changes in prescription rates during the study period using Poisson regression.ResultsAmong 4 075 527 children and adolescents during the study period from 1998 to 2018, the prescribing rates increased by 15% for attention deficit hyperactivity disorder drugs (rate ratio: 1.15, 95% CI: 1.12–1.18), 14% for anxiolytics and hypnotics (rate ratio: 1.14, 95% CI: 1.13–1.16), and 8% for drugs for gastroesophageal reflux disease (GERD) (rate ratio: 1.08, 95% CI: 1.07–1.09). Prescribing rates decreased by 6% for cough preparations (rate ratio: 0.94, 95% CI: 0.92–0.95) and by 3% for analgesics (rate ratio: 0.97, 95% CI: 0.96–0.99). No meaningful changes were observed for systemic antibiotics (rate ratio: 1.02, 95% CI: 0.99–1.04). Among specific drug classes, prescribing rates decreased for broad‐spectrum penicillins and cephalosporins, and they increased for selective serotonin reuptake inhibitors, opioids, and drugs for migraine.ConclusionsBetween 1998 and 2018, the prescribing of centrally acting drugs and drugs for GERD increased among pediatric patients, whereas prescribing of cough preparations and analgesics declined in this population.
Improving processability for in‐mold coating formulations
Authors: Cai Kaiyu , Zhang Dan , Straus Elliott J. , Villarreal Maria G. , Castro Jose M. 
Published: October 2021

AbstractIn‐mold coating (IMC) being 100% solids upon polymerization is an environmentally friendly alternative to traditional painting/coating. The standard commercial IMC formulation contains 2.8 wt% carbon black (CB) to achieve the electrical conductivity needed for maximum transfer efficiency during electrostatic painting. This formulation, however, makes the primed surface deep black and significantly increases the viscosity. To address this issue, our previous research evaluated the use of single‐wall carbon nanotubes as an alternative to CB. It was found that IMC with 0.15 wt% SWCNT provides the same level of conductivity as the standard IMC, but a much clear coating. However, the processability of this new formulation was adversely affected. In this research, other carbon‐based materials, that is, carbon nanofiber (CNF), multi‐wall carbon nanotube (MWCNT), and industrial graphene (grapheneblack [G]), were evaluated. Results indicate that the same level of conductivity can be reached by adding 1.6 wt% CNF, 1.8 wt% MWCNT, or 11.3 wt% G. Results also suggest that IMC with 1.8 wt% MWCNT has the best curing process, IMC with 11.3 wt% G has the highest flowability, and all three new formulations have a slightly better greyscale reading than the standard IMC.
Identifying blood‐brain barrier peptides by using amino acids physicochemical properties and features fusion method
Authors: Zou Hongliang 
Published: October 2021

AbstractBlood‐brain barrier peptides (BBPs) play a promising role in current drug study of central nervous system diseases. Hence, it is an urgent need to rapidly and accurately discriminating BBPs from non‐BBPs. Experimental approaches are the first choice, however, these methods are expensive and take a lot of time. Thus, more and more researchers focused their attention on computational models. In current work, we developed a support vector machine (SVM) based model to identify BBPs. First, amino acids physicochemical properties were employed to represent peptide sequences, and Pearson's correlation coefficient (PCC) and maximal information coefficient (MIC) were applied to extract useful information. Then, similarity network fusion algorithm was utilized to integrate these two different kinds of features. Next, Fisher algorithm was used to pick out the discriminative features. Finally, these selected features were input into SVM for distinguishing BBPs from non‐BBPs. The proposed model achieved 100.00% and 89.47% classification accuracies on training and independent datasets, respectively. Additionally, we found that pK2 (NH3) property of amino acid plays a key role in discriminating BBPs from non‐BBPs. The results showed that our proposed method is effective, and achieved a significantly improvement in identifying BBPs, as compared with the state‐of‐the‐art approach. The Matlab codes and datasets are freely available at https://figshare.com/articles/online_resource/iBBPs_zip/14723766.
Statin withdrawal and treating COVID‐19 patients
Authors: Fedson David S. 
Published: October 2021

AbstractMost but not all observational studies of statin treatment of COVID‐19 patients suggest that treatment improves outcomes. However, almost all of these studies fail to consider that withdrawing statins after hospital admission may have detrimental effects, a finding which cardiovascular investigators have known for 15–20 years. Continuing or starting statin treatment after hospital admission consistently improves cardiovascular outcomes. Similarly, inpatient statin treatment of COVID‐19 improves survival. For this reason, observational studies of the effectiveness of outpatient‐documented statin treatment of COVID‐19 patients must consider the negative consequences of statin withdrawal after hospital admission.
Estimation of the area of potential thermal refuges using generalized additive models and multivariate adaptive regression splines: A case study from the Ste‐Marguerite River
Authors: Saadi Al Mahdi , Msilini Amina , Charron Christian , St‐Hilaire André , Ouarda Taha B. M. J. 
Published: October 2021

AbstractThermal refuges in rivers are becoming a critical habitat for ectotherm fish, including Atlantic salmon (Salmo salar). In this study, two statistical modelling approaches were used to estimate the areas of potential thermal refuges: generalized additive models (GAM) and multivariate adaptive regression splines (MARS). This allowed for the first development of a reliable statistical model that uses a few relevant predictors (air temperature, river discharge, main river, and tributary temperatures) to estimate tributary plume thermal refuge surface areas. GAM and MARS models were fitted independently for four sites on the Ste‐Marguerite River, (Quebec, Canada). Model performances were evaluated using the leave‐one‐out cross validation (LOOCV) approach and the following criteria: the Akaike information criterion (AIC), root‐mean‐square error (RMSE), relative root‐mean‐square error (rRMSE), Nash‐Sutcliffe efficiency coefficient (NASH), and finally the bias (BIAS). Using an array of thermographs deployed at the confluence of a cold tributary and the warmer main river stem, refuges were delineated at a daily time step. Model results indicate that the estimated areas are similar to the refuge surfaces interpolated using temperature measurements, with both models and for all sites. Results suggest that MARS performs better than GAM in terms of forecasting and estimating the variability of the area of thermal refuges at all study‐stations. This relatively simple approach will be of use to water resources managers faced with the challenge of protecting thermal refuges for fish.
Achieving sustainable development goals through board size and innovation
Authors: Chindasombatcharoen Pongsapak , Chatjuthamard Pattanaporn , Jiraporn Pornsit , Treepongkaruna Sirimon 
Published: October 2021

AbstractSustainable development is one of the prominent goals promoted by the United Nations (UN). To achieve Sustainable Development Goals, the UN identifies innovation as one of the important elements. Motivated by this, we explore how board size affects firm's innovation and find a negative relation between board size and firm's innovation. Our analyses including ordinary least squares (OLS) regressions, instrumental variable, propensity score matching, and generalized method of moment (GMM) dynamic panel data estimation show that our results are robust and are not driven by unobserved heterogeneity. Our findings are consistent with stewardship theory where a smaller board leads to more corporate innovation, which eventually leads to sustainable firms.
Penalized Poisson model for network meta‐analysis of individual patient time‐to‐event data
Authors: Ollier Edouard , Blanchard Pierre , Le Teuff Gwénaël , Michiels Stefan 
Published: October 2021

AbstractNetwork meta‐analysis (NMA) allows the combination of direct and indirect evidence from a set of randomized clinical trials. Performing NMA using individual patient data (IPD) is considered as a “gold standard” approach as it provides several advantages over NMA based on aggregate data. For example, it allows to perform advanced modeling of covariates or covariate‐treatment interactions. An important issue in IPD NMA is the selection of influential parameters among terms that account for inconsistency, covariates, covariate‐by‐treatment interactions or nonproportionality of treatments effect for time to event data. This issue has not been deeply studied in the literature yet and in particular not for time‐to‐event data. A major difficulty is to jointly account for between‐trial heterogeneity which could have a major influence on the selection process. The use of penalized generalized mixed effect model is a solution, but existing implementations have several shortcomings and an important computational cost that precludes their use for complex IPD NMA. In this article, we propose a penalized Poisson regression model to perform IPD NMA of time‐to‐event data. It is based only on fixed effect parameters which improve its computational cost over the use of random effects. It could be easily implemented using existing penalized regression package. Computer code is shared for implementation. The methods were applied on simulated data to illustrate the importance to take into account between trial heterogeneity during the selection procedure. Finally, it was applied to an IPD NMA of overall survival of chemotherapy and radiotherapy in nasopharyngeal carcinoma.
The Dual Functions of Defect‐Rich Carbon Nanotubes as Both Conductive Matrix and Efficient Mediator for LiS Batteries
Authors: Jiang Jicheng , Fan Qining , Zheng Zhi , Kaiser Mohammad Rejaul , Chou Shulei , Konstantinov Konstantin , Liu Huakun , Lin Liangxu , Wang Jiazhao 
Published: October 2021

AbstractLiS batteries are considered a promising energy storage system owing to the great abundance of sulfur and its high specific capacity. Polysulfide shuttling and sluggish reaction kinetics in sulfur cathodes significantly degrade the cycle life of LiS batteries. A modified method is employed to create defects in carbon nanotubes (CNTs), anchoring polysulfides, and accelerating electrochemical reactions. The defect‐rich CNTs (D‐CNT) enable dramatic improvement in both cycling and rate performance. A specific capacity of 600 mAh g−1 with a current density of 0.5 C is achieved after 400 cycles, and even at a very high current density (5.0 C), a specific capacity of 434 mAh g−1 is observed. Cycling stability up to 1000 cycles is also achieved under the conditions of high sulfur loading and lean electrolyte. Theoretical calculations revealed that the improvement is mainly attributable to the electronic structure of defect‐rich carbon, which has higher binding energy with polysulfides because of the upshift of the p‐band center. Furthermore, rotating disk electrode measurements demonstrate that the defect‐rich carbon can accelerate the polysulfide conversion process. It is anticipated that this new design strategy can be the starting point for mediator‐like carbon materials with good conductivity and high catalytic activity for LiS batteries.
Deciphering the Carrier Transport Properties in Two‐Dimensional Perovskites via Surface‐Enhanced Raman Scattering
Authors: Zou Yuting , Yu Zhi , Ma Hao , Zhao Chen , Wang Bin , Li Ruiyan , Li Xiuyun , Yang Jianjun , Li Feng , Yu Weili 
Published: October 2021

Abstract2D layered organic‐inorganic perovskites have attracted substantial attention due to their high stability and promising optoelectronic properties. However, in‐depth insights on the anisotropic carrier transport properties of these 2D perovskites are remaining challenging, while they are significant for further designing the high‐performance device applications. Here, the carrier transport properties within 2D perovskite single crystals are investigated and a layered‐carrier‐transport model is developed through the non‐invasive and non‐destructive surface‐enhanced Raman scattering techniques. The carrier transport features of 2D perovskites show clearly the thickness‐, applied voltage‐ and anisotropy‐dependent behaviors, which are demonstrated to origin from the quantum confinement effect. The findings elucidate the carrier transport mechanisms within 2D perovskites from their molecular level through Raman spectroscopy, thus providing a promising way for exploring the photo‐physical properties in wide‐ranged halide perovskites and designing highly efficient perovskite optoelectronic devices.
Rational Design of the Lotus‐Like N‐Co2VO4‐Co Heterostructures with Well‐Defined Interfaces in Suppressing the Shuttle Effect and Dendrite Growth in Lithium–Sulfur Batteries
Authors: Zhou Wei , Zhao Dengke , Wu Qikai , Dan Jiacheng , Zhu Xiaojing , Lei Wen , Ma Li‐Jun , Li Ligui 
Published: October 2021

AbstractThe shuttle effect caused by soluble lithium polysulfides (LiPSs) and intrinsic slow electrochemical transformation from LiPSs to Li2S/Li2S2 will induce undesirable cycling performance, which is the primary obstruct limiting the practical applications of lithium–sulfur (Li–S) batteries. Here a convenient method is designed to fabricate the 2D louts‐like N‐Co2VO4‐Co heterostructures with well‐abundant interfaces and oxygen vacancies (Vo), endowing the materials with both “sulfiphilic” and “lithiophilic” features. When employed as the modification layer coated on commercial Celgard 2400 separator, the as‐prepared N‐Co2VO4‐Co/PP with synergistic adsorption‐electrocatalysis effects achieves desirable sulfur electrochemistry, thus showing a high initial discharge capacity of 1466.4 mAh g−1 at 0.1 C and stable cycle life with a fade rate of 0.03% per cycle over 1000 cycle at 3.0 C. Moreover, a superior areal capacity of 12.84 mAh cm−2 is preserved under high sulfur loading of 14.3 mg cm−2.
“Rhodes‐” must fall: Some of the consequences of colonialism for botany and plant nomenclature
Authors: Smith Gideon F. , Figueiredo Estrela 
Published: October 2021

AbstractA recent increase in awareness of the impact and aftereffects of imperialism and colonialism has served to indicate to the world that change can occur rapidly and likely irreversibly in numerous spheres of life. A well‐publicised example is the “Rhodes Must Fall” campaign that started in Cape Town, South Africa, in 2015, and eventually spread to the United Kingdom. One of the outcomes of this initiative has been the removal of the statue of Cecil John Rhodes from the campus of the University of Cape Town. Yet, in plant nomenclature, because of the rules that govern the scientific naming plants, names that include the root “rhodes‐”, where C.J. Rhodes is commemorated, are persisting. This is one example of names and epithets that are perceived by many as offensive and unacceptable. The botanical community should take cognisance of these developments and use the mechanisms at its disposal, or develop new ones, to proactively find solutions to address how to deal with such names and epithets.
Development of a near‐infrared reflecting EVA cooling compound with flame retardant property
Authors: Gu Puzhong , Jiang Tiankai , Zhang Jun 
Published: October 2021

AbstractA high near‐infrared (NIR) reflective cooling compound with flame retardant characteristics was fabricated by incorporating antimony trioxide (Sb2O3) and decabrominated diphenyl ethane (DBDPE) into ethylene‐vinyl acetate copolymer (EVA). The solar reflectivity and cooling capacities of the control sample and EVA compounds with either Sb2O3 or DBDPE, and EVA composites embedded with Sb2O3 and DBDPE, were evaluated by ultraviolet–visible–near infrared analysis and temperature tests. The effect of Sb2O3 and DBDPE on the flammability, thermal behavior, and mechanical properties of EVA copolymer were determined via the UL‐94 burning test, limiting oxygen index (LOI), differential scanning calorimetry, thermogravimetric analysis, and tensile and tearing tests. Compared with the glass blank, EVA compound filled with 10 wt% Sb2O3 and 30 wt% DBDPE showed a roughly 17.3°C and 38.0°C decrease during sunlight exposure and in indoors, respectively, accompanied by the maximum NIR reflectivity of 68.8% in all as‐prepared blends. Moreover, this as‐prepared compound met a UL‐94 V‐0 classification and reached a LOI value of 29.3%. Notably, the singular addition of either Sb2O3 or DBDPE improved the cooling capability of EVA but rarely fulfilled the fire retardant demand. In contrast, the incorporation of Sb2O3 and DBDPE improved the desirable cooling and flame retardant properties.
The hindered rotor theory: A review
Authors: Dzib Eugenia , Merino Gabriel 
Published: October 2021

AbstractHindered rotations are common in nature and can greatly affect thermodynamic properties. Typically, the standard rigid‐rotor harmonic‐oscillator approximation is used to compute thermodynamic properties; however, it often leads to serious errors, particularly for molecules with hindered rotations. Hence, to reach accurate thermodynamic predictions for such cases, the hindered rotor approximation must be applied. Different methods to compute thermodynamic properties for molecules with hindered rotations are available. Herein, we review the theoretical basis of different methods, their accuracy, and applicability. We also present the different algorithms to identify hindered rotors and obtain the input parameters for the hindered rotor model, and the software available to compute thermodynamic properties under this scheme.This article is categorized under:
Structure and Mechanism > Molecular Structures
Theoretical and Physical Chemistry > Reaction Dynamics and Kinetics
Entanglement entropy and edge modes in topological string theory. Part I. Generalized entropy for closed strings
Authors: Donnelly William , Jiang Yikun , Kim Manki , Wong Gabriel 
Published: October 2021

Abstract
Progress in identifying the bulk microstate interpretation of the Ryu-Takayanagi formula requires understanding how to define entanglement entropy in the bulk closed string theory. Unfortunately, entanglement and Hilbert space factorization remains poorly understood in string theory. As a toy model for AdS/CFT, we study the entanglement entropy of closed strings in the topological A-model in the context of Gopakumar-Vafa duality. We will present our results in two separate papers. In this work, we consider the bulk closed string theory on the resolved conifold and give a self-consistent factorization of the closed string Hilbert space using extended TQFT methods. We incorporate our factorization map into a Frobenius algebra describing the fusion and splitting of Calabi-Yau manifolds, and find string edge modes transforming under a q-deformed surface symmetry group. We define a string theory analogue of the Hartle-Hawking state and give a canonical calculation of its entanglement entropy from the reduced density matrix. Our result matches with the geometrical replica trick calculation on the resolved conifold, as well as a dual Chern-Simons theory calculation which will appear in our next paper [1]. We find a realization of the Susskind-Uglum proposal identifying the entanglement entropy of closed strings with the thermal entropy of open strings ending on entanglement branes. We also comment on the BPS microstate counting of the entanglement entropy. Finally we relate the nonlocal aspects of our factorization map to analogous phenomenon recently found in JT gravity.