bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐Capacity Concentration Gradient Li[Ni0.865Co0.120Al0.015]O2 Cathode for Lithium‐Ion Batteries
Authors: Park Kang‐Joon , Choi Min‐Jae , Maglia Filippo , Kim Sung‐Jin , Kim Kwang‐Ho , Yoon Chong S. , Sun Yang‐Kook 
Published: March 2018

AbstractA Ni‐rich concentration‐gradient Li[Ni0.865Co0.120Al0.015]O2 (NCA) cathode is prepared with a Ni‐rich core to maximize the discharge capacity and a Co‐rich particle surface to provide structural and chemical stability. Compared to the conventional NCA cathode with a uniform composition, the gradient NCA cathode exhibits improved capacity retention and better thermal stability. Even more remarkably, the gradient NCA cathode maintains 90% of its initial capacity after 100 cycles when cycled at 60 °C, whereas the conventional cathode exhibits poor capacity retention and suffers severe structural deterioration. The superior cycling stability of the gradient NCA cathode largely stemmed from the gradient structure combines with the Co‐rich surface, which provides chemical stability against electrolyte attack and reduces the inherent internal strain observed in all Ni‐rich layered cathodes in their charged state, thus providing structural stability against the repeated anisotropic volume changes during cycling. The high discharge capacity of the proposed gradient NCA cathode extends the driving range of electric vehicles and reduces battery costs. Furthermore, its excellent capacity retention guarantees a long battery life. Therefore, gradient NCA cathodes represent one of the best classes of cathode materials for electric vehicle applications that should satisfy the demands of future electric vehicles.
Religion in the Hallways: Academic Performance and Psychological Distress among Immigrant origin Muslim Adolescents in High Schools
Authors: Oberoi Ashmeet Kaur , Trickett Edison J. 
Published: March 2018

AbstractIslamic norms and Islamophobia present unique challenges for Muslim adolescents in Western countries. For Muslim students, even “secular” public schools are not a religion‐free space because their religious beliefs and values are central in their manner of living. To inquire more about these issues, an exploratory sequential design mixed‐method study was conducted that included focus groups and a survey addressing the public school experiences of Muslim adolescents in a Midwestern state in the United States and how those experiences are related to their academic achievement, educational aspirations, and psychological adjustment. Overall, the findings characterize this study's sample as coping well in the school context in terms of academic achievement, high educational expectations, and relatively low levels of psychological distress. However, those who experience greater frequency and severity of hassles at school report higher levels of psychological distress. In particular, the frequency of hassles associated with representing Islam, limited English competency, relations with both Muslim and non‐Muslim peers, and religious discrimination at school related to increased distress. Together, these findings suggest the importance of considering both individual and ecological determinants of wellbeing for Muslim adolescents. The findings also suggest the importance of looking more carefully at the sample, context, and time when the data were collected before making generalizations within or across cultural and/or religious groups.
Ecological Networks and Community Attachment and Support Among Recently Resettled Refugees
Authors: Soller Brian , Goodkind Jessica R. , Greene R. Neil , Browning Christopher R. , Shantzek Cece 
Published: March 2018

AbstractInterventions aimed at enhancing mental health are increasingly centered around promoting community attachment and support. However, few have examined and tested the specific ecological factors that give rise to these key community processes. Drawing from insights from the ecological network perspective, we tested whether spatial and social overlap in routine activity settings (e.g., work, school, childcare) with fellow ethnic community members is associated with individuals’ attachment to their ethnic communities and access to social resources embedded in their communities. Data on routine activity locations drawn from the Refugee Well‐Being Project (based in a city in the Southwestern United States) were used to reconstruct the ecological networks of recently resettled refugee communities, which were two‐mode networks that comprise individuals and their routine activity locations. Results indicated that respondents’ community attachment and support increased with their ecological network extensity—which taps the extent to which respondents share routine activity locations with other community members. Our study highlights a key ecological process that potentially enhances individuals’ ethnic community attachment that extends beyond residential neighborhoods.
Octacarbonyl Anion Complexes of Group Three Transition Metals [TM(CO)8]− (TM=Sc, Y, La) and the 18‐Electron Rule
Authors: Jin Jiaye , Yang Tao , Xin Ke , Wang Guanjun , Jin Xiaoyang , Zhou Mingfei , Frenking Gernot 
Published: March 2018

AbstractWe report the gas‐phase synthesis of stable 20‐electron carbonyl anion complexes of group 3 transition metals, TM(CO)8− (TM=Sc, Y, La), which are studied by mass‐selected infrared (IR) photodissociation spectroscopy. The experimentally observed species, which are the first octacarbonyl anionic complexes of a TM, are identified by comparison of the measured and calculated IR spectra. Quantum chemical calculations show that the molecules have a cubic (Oh) equilibrium geometry and a singlet (1A1g) electronic ground state. The 20‐electron systems TM(CO)8− are energetically stable toward loss of one CO ligand, yielding the 18‐electron complexes TM(CO)7− in the 1A1 electronic ground state; these exhibit a capped octahedral structure with C3v symmetry. Analysis of the electronic structure of TM(CO)8− reveals that there is one occupied valence molecular orbital with a2u symmetry, which is formed only by ligand orbitals without a contribution from the metal atomic orbitals. The adducts of TM(CO)8− fulfill the 18‐electron rule when only those valence electrons that occupy metal–ligand bonding orbitals are considered.
Transition‐Metal‐Free Decarboxylative Propargylic Substitution/Cyclization with either Azolium Enolates or Acyl Anions
Authors: Lu Shenci , Ong Jun‐Yang , Poh Si Bei , Tsang Terence , Zhao Yu 
Published: March 2018

AbstractPresented herein is an unprecedented transition‐metal‐free propargylic substitution reaction with either azolium enolates or acyl anions, which are generated from aldehydes under N‐heterocyclic carbene catalysis. This new catalytic activation operates on readily available cyclic propargylic carbamates through decarboxylation, and generates reactive allene intermediates that can undergo divergent cyclization pathways to deliver skeletally diverse polycyclic compounds with high levels of efficiency and excellent enantioselectivities.
Two‐fold Bioorthogonal Derivatization by Different Formylglycine‐Generating Enzymes
Authors: Krüger Tobias , Weiland Stefanie , Falck Georg , Gerlach Marcus , Boschanski Mareile , Alam Sarfaraz , Müller Kristian M. , Dierks Thomas , Sewald Norbert 
Published: March 2018

AbstractFormylglycine‐generating enzymes are of increasing interest in the field of bioconjugation chemistry. They catalyze the site‐specific oxidation of a cysteine residue to the aldehyde‐containing amino acid Cα‐formylglycine (FGly). This non‐canonical residue can be generated within any desired target protein and can subsequently be used for bioorthogonal conjugation reactions. The prototypic formylglycine‐generating enzyme (FGE) and the iron‐sulfur protein AtsB display slight variations in their recognition sequences. We designed specific tags in peptides and proteins that were selectively converted by the different enzymes. Combination of the different tag motifs within a single peptide or recombinant protein enabled the independent and consecutive introduction of two formylglycine residues and the generation of heterobifunctionalized protein conjugates.
Evolution of mechanical properties of polypropylene separator in liquid electrolytes for lithium‐ion batteries
Authors: Chen Jinhan , Hu Hongjiu , Li Shuang , He Yaolong 
Published: March 2018

ABSTRACTKnowledge of the mechanical behaviors of polymeric separators immersed in liquid electrolytes is of great significance for predicting the long‐term performance of lithium batteries with high performance and safety. In terms of tensile tests, heating shrinkage, and dynamic mechanical analysis as well as the essential work of fracture method, the study reported here encompasses a systematic investigation of the mechanical properties of a typical commercial polypropylene separator in mixtures of ethylene carbonate and dimethyl carbonate and lithium hexafluorophosphate (LiPF6), comparing with the results in ionic liquid (IL) electrolyte composed of lithium tetrafluoroborate (LiBF4) and 1‐butyl‐3‐methylimidazolium tetrafluoroborate (BMIBF4) and dry condition. It has been found that liquid electrolytes have obvious negative effect on the dimensional stability at elevated temperature and mechanical properties, especially on crack resistance of the polymer separator. LiBF4‐BMIBF4has much smaller damage on the strength, Young's modulus and fracture toughness of separator than the organic solution except the dynamic modulus at high temperature. Notably, the maximum tensile stress, Young's modulus and the reciprocal of relaxation time of the polymer separator are linearly dependent with strain rate under quasi‐static condition, and the relaxation time has clarified the coupling effect mechanism of liquid electrolyte and loading rate. Moreover, the non‐dimensional viscoelastic constitute equation could perfectly track the tensile behavior of wet and dry separators at different strain rate, and a property model could well characterize the temperature‐dependent storage modulus of polymer separators from rubbery to viscous state. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2018,135, 46441.
Preventing Other ‘Marawis’ in the Southern Philippines
Authors: Franco Joseph 
Published: March 2018

AbstractAfter more than 5 months of intense fighting, the Battle for Marawi has concluded as the largest urban combat scenario in modern Philippine history. Winning a kinetic campaign against violent extremist organisations like the Maute Group is insufficient in itself to prevent the eruption of other ‘Marawis’ in the future. The Duterte Administration should craft a cohesive countering violent extremism strategy. A prospective strategy should recognise the importance of coherent messaging and focus on the non‐ideological drivers of conflict.
Model Predictive Control for Constrained Image‐Based Visual Servoing in Uncalibrated Environments
Authors: Qiu Zhoujingzi , Hu Shiqiang , Liang Xinwu 
Published: March 2018

AbstractThis paper presents a novel approach for image‐based visual servoing (IBVS) of a robotic system by considering the constraints in the case when the camera intrinsic and extrinsic parameters are uncalibrated and the position parameters of the features in 3‐D space are unknown. Based on the model predictive control method, the robotic system's input and output constraints, such as visibility constraints and actuators limitations, can be explicitly taken into account. Most of the constrained IBVS controllers use the traditional image Jacobian matrix, the proposed IBVS scheme is developed by using the depth‐independent interaction matrix. The unknown parameters can appear linearly in the prediction model and they can be estimated by the identification algorithm effectively. In addition, the model predictive control determines the optimal control input and updates the estimated parameters together with the prediction model. The proposed approach can simultaneously handle system constraints, unknown camera parameters and depth parameters. Both the visual positioning and tracking tasks can be achieved desired performances. Simulation results based on a 2‐DOF planar robot manipulator for both the eye‐in‐hand and eye‐to‐hand camera configurations are used to demonstrate the effectiveness of the proposed method.
Ermüdungsfestigkeit zyklisch beanspruchter Stahlbetonbalken ohne Querkraftbewehrung
Authors: Kohl Matthias , Rombach Günter 
Published: March 2018

AbstractDer rechnerische Querkraftnachweis von Stahlbetontragwerken ohne Schubbewehrung (im Allgemeinen Platten, bspw. Fahrbahnplatten, WEA‐Fundamente) auf Ermüdung nach DIN EN 1992‐1‐1 [1] bzw. DIN EN 1992‐2/NA beruht weitgehend auf empirischen Untersuchungen. Der Ansatz wurde bislang kaum experimentell validiert. Nachfolgend wird über theoretische, experimentelle und numerische Untersuchungen zum Tragverhalten von Stahlbetonbalken ohne Querkraftbewehrung unter dynamischen und statischen Einwirkungen berichtet. Neben der Validierung des Normansatzes mittels 20 Balkenversuchen konnten auch die Tragmechanismen nach Auftreten eines Biegeschubrisses studiert werden.
Smooth individual level covariates adjustment in disease mapping
Authors: Huque Md Hamidul , Anderson Craig , Walton Richard , Woolford Samuel , Ryan Louise 
Published: March 2018

AbstractSpatial models for disease mapping should ideally account for covariates measured both at individual and area levels. The newly available “indiCAR” model fits the popular conditional autoregresssive (CAR) model by accommodating both individual and group level covariates while adjusting for spatial correlation in the disease rates. This algorithm has been shown to be effective but assumes log‐linear associations between individual level covariates and outcome. In many studies, the relationship between individual level covariates and the outcome may be non‐log‐linear, and methods to track such nonlinearity between individual level covariate and outcome in spatial regression modeling are not well developed. In this paper, we propose a new algorithm, smooth‐indiCAR, to fit an extension to the popular conditional autoregresssive model that can accommodate both linear and nonlinear individual level covariate effects while adjusting for group level covariates and spatial correlation in the disease rates. In this formulation, the effect of a continuous individual level covariate is accommodated via penalized splines. We describe a two‐step estimation procedure to obtain reliable estimates of individual and group level covariate effects where both individual and group level covariate effects are estimated separately. This distributed computing framework enhances its application in the Big Data domain with a large number of individual/group level covariates. We evaluate the performance of smooth‐indiCAR through simulation. Our results indicate that the smooth‐indiCAR method provides reliable estimates of all regression and random effect parameters. We illustrate our proposed methodology with an analysis of data on neutropenia admissions in New South Wales (NSW), Australia.
Dynamic prediction of cumulative incidence functions by direct binomial regression
Authors: Grand Mia K. , de Witte Theo J. M. , Putter Hein 
Published: March 2018

AbstractIn recent years there have been a series of advances in the field of dynamic prediction. Among those is the development of methods for dynamic prediction of the cumulative incidence function in a competing risk setting. These models enable the predictions to be updated as time progresses and more information becomes available, for example when a patient comes back for a follow‐up visit after completing a year of treatment, the risk of death, and adverse events may have changed since treatment initiation. One approach to model the cumulative incidence function in competing risks is by direct binomial regression, where right censoring of the event times is handled by inverse probability of censoring weights. We extend the approach by combining it with landmarking to enable dynamic prediction of the cumulative incidence function. The proposed models are very flexible, as they allow the covariates to have complex time‐varying effects, and we illustrate how to investigate possible time‐varying structures using Wald tests. The models are fitted using generalized estimating equations. The method is applied to bone marrow transplant data and the performance is investigated in a simulation study.
Least median of squares and iteratively re‐weighted least squares as robust linear regression methods for fluorimetric determination of α‐lipoic acid in capsules in ideal and non‐ideal cases of linearity
Authors: Korany Mohamed A. , Gazy Azza A. , Khamis Essam F. , Ragab Marwa A. A. , Kamal Miranda F. 
Published: March 2018

AbstractThis study outlines two robust regression approaches, namely least median of squares (LMS) and iteratively re‐weighted least squares (IRLS) to investigate their application in instrument analysis of nutraceuticals (that is, fluorescence quenching of merbromin reagent upon lipoic acid addition). These robust regression methods were used to calculate calibration data from the fluorescence quenching reaction (∆F and F‐ratio) under ideal or non‐ideal linearity conditions. For each condition, data were treated using three regression fittings: Ordinary Least Squares (OLS), LMS and IRLS. Assessment of linearity, limits of detection (LOD) and quantitation (LOQ), accuracy and precision were carefully studied for each condition. LMS and IRLS regression line fittings showed significant improvement in correlation coefficients and all regression parameters for both methods and both conditions. In the ideal linearity condition, the intercept and slope changed insignificantly, but a dramatic change was observed for the non‐ideal condition and linearity intercept. Under both linearity conditions, LOD and LOQ values after the robust regression line fitting of data were lower than those obtained before data treatment. The results obtained after statistical treatment indicated that the linearity ranges for drug determination could be expanded to lower limits of quantitation by enhancing the regression equation parameters after data treatment. Analysis results for lipoic acid in capsules, using both fluorimetric methods, treated by parametric OLS and after treatment by robust LMS and IRLS were compared for both linearity conditions.
Enhanced spectrofluorimetric determination of two novel combination therapies for the treatment of benign prostatic hyperplasia containing tamsulosin hydrochloride
Authors: El‐Kimary Eman I. , Khamis Essam F. , Belal Saeid F. , Abdel Moneim Mona M. 
Published: March 2018

AbstractTwo novel combination therapies for the treatment of benign prostatic hyperplasia were analyzed using simple and enhanced spectrofluorimetric methods based on derivative and derivative ratio techniques. The two combinations contained tamsulosin hydrochloride (TAM) as a minor component with tolterodine tartrate (TOL) or solifenacin succinate (SOL). The fluorescence of the three drugs under study was measured in methanolic water solution. For the TAM and SOL mixture, successful resolution between both drugs was achieved by derivative manipulation of both ratio and zero‐order emission spectra with good linearity in the ranges of 0.75–3.50 and 2.5–15.0 μg ml−1 for TAM and SOL, respectively. Extensive emission spectral overlap was observed for the TAM and TOL mixture. Therefore, only derivative application of the ratio emission spectra resolved such overlap and quantitated TAM and TOL simultaneously in the ranges 0.75–3.50 and 2.5–20.0 μg ml–1 for TAM and TOL, respectively. Optimization of various experimental parameters that affected the fluorescence intensity of the three drugs was performed. Successful application of all proposed methods was achieved for analysis of the two drugs in each combination therapy in their laboratory‐prepared mixtures and dosage forms with good accuracy and precision.
Analysis of metabolic networks of Streptomyces leeuwenhoekii C34 by means of a genome scale model: Prediction of modifications that enhance the production of specialized metabolites
Authors: Razmilic Valeria , Castro Jean F. , Andrews Barbara , Asenjo Juan A. 
Published: March 2018

AbstractThe first genome scale model (GSM) for Streptomyces leeuwenhoekii C34 was developed to study the biosynthesis pathways of specialized metabolites and to find metabolic engineering targets for enhancing their production. The model, iVR1007, consists of 1,722 reactions, 1,463 metabolites, and 1,007 genes, it includes the biosynthesis pathways of chaxamycins, chaxalactins, desferrioxamines, ectoine, and other specialized metabolites. iVR1007 was validated using experimental information of growth on 166 different sources of carbon, nitrogen and phosphorous, showing an 83.7% accuracy. The model was used to predict metabolic engineering targets for enhancing the biosynthesis of chaxamycins and chaxalactins. Gene knockouts, such as sle03600 (L‐homoserine O‐acetyltransferase), and sle39090 (trehalose‐phosphate synthase), that enhance the production of the specialized metabolites by increasing the pool of precursors were identified. Using the algorithm of flux scanning based on enforced objective flux (FSEOF) implemented in python, 35 and 25 over‐expression targets for increasing the production of chaxamycin A and chaxalactin A, respectively, that were not directly associated with their biosynthesis routes were identified. Nineteen over‐expression targets that were common to the two specialized metabolites studied, like the over‐expression of the acetyl carboxylase complex (sle47660 (accA) and any of the following genes: sle44630 (accA_1) or sle39830 (accA_2) or sle27560 (bccA) or sle59710) were identified. The predicted knockouts and over‐expression targets will be used to perform metabolic engineering of S. leeuwenhoekii C34 and obtain overproducer strains.
Truncation of the processive Cel5A of Thermotoga maritima results in soluble expression and several fold increase in activity
Authors: Basit Abdul , Akhtar Muhammad W. 
Published: March 2018

AbstractCel5A of Thermotoga maritima, a 37 kDa cellulase of the family GH5, was expressed in partially soluble state in E. coli. However, the truncated version tCel5A1, produced by removing ten residues from the C‐terminal of Cel5A, was expressed in a completely soluble form. tCel5A1 showed 7.3‐ fold increased specific activity against carboxy methyl cellulose while the increase in activities against regenerated amorphous cellulose and Avicel were 21 and 16 fold, respectively. tCel5A1 is stable at 60 °C for more than 2 hr and it showed temperature and pH optima 70 °C and 6.0, respectively, under the assay conditions used. These characteristics are similar to those of the native enzyme. As expected, CD spectral analysis showed that C‐terminal truncation has little effect on the secondary structure of the molecule. tCel5A1 showed higher binding to pretreated rice straw (84%) as compared to the native form (46%). Molecular modelling analysis of tCel5A1 showed that the removal of C‐terminal residues exposed the active site residues Glu253, Trp286, and Phe292, which are located in the catalytic cavity close to the C‐terminus. Making these residues more accessible to the substrate would result in increased activity. The ratio of 10.01 between the soluble to the insoluble reducing groups produced from RAC on treatment with tCel5A1, and the presence of cellobiose as the major end product in the hydrolysate showed that tCel5A1 is a processive cellulase. Although other processive cellulases belonging to the family GH5, mainly of the fungal origin, have been reported, but tCel5A1, to our knowledge, is the first processive cellulase from an extreme thermophile reported so far.