bluuebunny/crossref_metadata_2025_split huggingface dataset:
The effect of digital transformation on employment in Egypt: An applied study using ARDL model
Authors: Elgohary Esam Mohamed , Abdel‐Aziz Reham Oncy 
Published: August 2022

AbstractThe current study aims to measure the effect of digital transformation on employment in Egypt, in addition to developing some proposed measures to sustain the digital vision in the New Republic to reduce unemployment. So, this study tries to contribute to this discussion, which attracted the attention of the two researchers to the problem of this research. EViews 12 Software was used as this study depended on the autoregressive distributed lag methodology, which gives the best results in the long run, and is considered one of the most suitable models with the sample size used in this research. The sample size consisted of 18 observations extended from 2003 to 2020. As well as, the Vector Auto‐Regression model was used to test the relationship between variables in order to test hypotheses as it is characterized by dealing with the variables entering the system as correlated internal variables. The study results showed that the unemployment variable did not have a causal effect on the independent variables, while the education variable and the Gross domestic product variable had a causal and positive effect on the independent variables that express the transformation digital where the significance value was less than 5%.
Determining best practices to delivering comprehensive medication management in practices with patients with chronic kidney disease: A qualitative study
Authors: Pestka Deborah L. , Maxson Rebecca , Bradley Shelby , Hsu Yu‐Chia , Traynor Andrew , St. Peter Wendy L. 
Published: August 2022

AbstractIntroductionNew payment models have intensified the importance of providing comprehensive medication management (CMM) to patients with chronic kidney disease. While some practices have pharmacists integrated into their kidney care teams, increasing the presence of pharmacists providing CMM will be key to practices achieving kidney‐related care outcomes and taking advantage of emergent value‐based payment models. To support future practices, the objective of this study was to understand what an ideal practice providing CMM to patients with kidney disease would look like from the perspective of those already in practice.MethodsQualitative semi‐structured interviews were carried out with 11 pharmacists practicing in diverse settings where kidney care was provided. Transcripts were coded deductively using a CMM practice management framework to determine the state of current practice, limitations, and components of an ideal practice.ResultsSome components of an ideal CMM practice that were coded include alternative methods of CMM billing and revenue capture, incorporating methods for identifying CMM patients beyond a referral‐based system, and having collaborative practice agreements in place. Barriers cited by those currently in practice include not always having support staff available for CMM, and a lack of processes in place to consistently and frequently measure CMM outcomes.ConclusionWhile this study outlined several of the components that would contribute to an ideal practice providing CMM to patients with kidney disease, it also revealed that many existing CMM practices face practice management barriers or limitations. Given the rising importance of providing CMM to patients with kidney disease, a number of implementation supports are now under development. Utilization of these supports will be key to expanding and optimizing CMM services thereby meeting the public health need of improving kidney health and reducing health care costs.
On the reliability of atoms in molecules, noncovalent index, and natural bond orbital to identify and quantify noncovalent bonds
Authors: Scheiner Steve 
Published: August 2022

AbstractAtoms in molecules, noncovalent index, and natural bond orbital methods are commonly invoked to identify the presence of various noncovalent bonds and to measure their strength. However, there are numerous instances in the literature where these methods provide contradictory or apparently erroneous interpretations of the bonding. The range of reliability of these methods is assessed by calculations of a variety of systems, which include an H‐bond, halogen bond, π‐tetrel bond, CH··HC interaction, and a pairing of two anions. While the results appear to be meaningful for the equilibrium geometries, and those where the two subunits are progressively pulled apart, these techniques erroneously predict a progressively stronger bonding interaction as the two units are compressed and the interaction becomes clearly repulsive. The methods falsely indicate a bonding interaction in the CH··HC arrangement, and incorrectly mimic the behavior of the energy when two anions approach. These approaches are also unreliable for understanding angular deformations.
Development of starch microstructures containing vitamin B3 by electrospinning technique for application in functional food
Authors: Coelho Sílvia Castro , Rocha Fernando , Estevinho Berta N. 
Published: August 2022

AbstractBackgroundVitamin B3 is a micronutrient that acts as antioxidant and possesses a crucial role on the cell and DNA mechanisms. It presents associated limitations such as low stability and bioavailability, and degradation by external agents that make it suitable for entrapment by the electrospinning process.ResultsIn this study, starch microstructures were produced and optimized to encapsulate vitamin B3. The incorporation of poly(ethylene oxide) (PEO) and glycerol as plasticizers, which can increase the plasticity of the starch solution, decreasing its viscosity and friction during the electrospinning process, was evaluated. The different microsystems were investigated in terms of morphology, physical stability, antioxidant activity of B3 and release of vitamin from starch microstructures in a controlled way and under gastric conditions (simulated gastric fluid). Vitamin B3 was successfully loaded into starch matrices, with good encapsulation efficiency. A high antioxidant activity was verified, which depended on the PEO or glycerol amount in the polymer solution. Microstructures prepared with 12% w/w starch in general presented the highest encapsulation efficiency and the highest antioxidant activity.ConclusionIt is possible to conclude that the behavior of the starch microstructures changed with PEO/glycerol incorporation. Starch microstructures can be used as effective microsystems to increase the stability of the ingredients. © 2022 Society of Chemical Industry (SCI).
Effects of arsenic on bioelectricity output and anode microbial community of soil microbial fuel cells in arsenic–petroleum hydrocarbon‐contaminated soils
Authors: Zhu Ting , Feng Liu , Cao Chengwei 
Published: August 2022

AbstractBackgroundHydrocarbon production is a potential emission source of arsenic. Sites contaminated by arsenic and hydrocarbons are common but have received little attention. This study selects soil polluted by petroleum hydrocarbons and arsenic as a matrix to construct soil microbial fuel cells (SMFCs), investigates the effect of arsenic on the performance of the SMFCs, so as to provide basic data for the remediation design of such sites, and thus provides a new technical option for the remediation of organic–inorganic‐contaminated sites.ResultsFive groups of SMFCs were tested under different soil arsenic concentrations. When soil arsenic concentration increased from 4.72 to 842.12 mg kg−1, the maximum power density of the SMFCs decreased from 11.3 to 1.8 mW m−2, while the internal resistance increased from 871.4 to 1322.1 Ω. The anode microbial community of the SMFCs aggregated arsenic‐resistant and electric adaptive microbes due to increased arsenic stress, resulting in a decrease in community abundance but an increase in community evenness, which accordingly contributed to the observed change in bioelectricity output. SMFCs did drive the migration of arsenic in soil to the cathode, and this effect decreased with increasing soil arsenic concentration.ConclusionsWith an increase of arsenic, the bioelectricity output of SMFCs was significantly inhibited and the abundance of anode microbial communities decreased. SMFCs did have a cathodic driving effect on arsenic in the soil. This study has practical significance for improving SMFCs in metal/metalloid‐polluted sites, which can provide an optional process for the remediation of organic–metal/metalloid‐polluted sites. © 2022 Society of Chemical Industry (SCI).
Distribution of Multiplexed Continuous‐Variable Entanglement for Quantum Networks
Authors: Ren Yuan , Wang Xutong , Lv Yinghui , Bacco Davide , Jing Jietai 
Published: August 2022

AbstractQuantum networks, the backbone of the future quantum internet, require flexible and precise control to faithfully share entanglement with different users. These networks will allow multiple applications including distributed quantum computation and information theoretic secure communication. In this scenario, orbital angular momentum (OAM) can be employed to enhance the capacity of quantum information processing and to distribute quantum entanglement in an efficient and scalable way with multiple users. Here, a method for realizing a multiplexed continuous variable (CV) quantum entanglement distribution based on a four‐wave mixing process combined with an active routing technique is experimentally demonstrated. By exploiting Sagnac‐based OAM sorters, the OAM entanglement can be distributed and measured with the different users in a quasi‐complete star network configuration. The generations of multiple sets of OAM multiplexed bipartite CV entanglement with four users and six users are proposed and demonstrated here. In addition, the propagation of one mode through a 1 km of single‐mode fiber shows the applicability of this approach. These results propose and demonstrate a new method for distributing CV entanglement in a quantum network enlarging the range of applicability of CV quantum information protocols.
Core‐shell nanocatalysts with reduced platinum content toward more cost‐effective proton exchange membrane fuel cells
Authors: Li Qun , Zhang Guisheng , Yuan Botao , Zhong Shijie , Ji Yuanpeng , Liu Yuanpeng , Wu Xiaoqiang , Kong Qingquan , Han Jiecai , He Weidong 
Published: August 2022

AbstractProton exchange membrane fuel cells (PEMFCs) have become a major component of current clean energy technologies. Accounting for nearly half the cost of a commercial fuel cell stack, Pt‐based catalysts are the main choices for both anode and cathode in PEMFCs. However, catalytical activity and operating life of Pt‐based catalysts are still unsatisfactory. High cost and scarcity of Pt further hinder the development of PEMFCs. Constructing core‐shell structure for Pt‐based catalysts is a promising strategy to enhance the catalytic activity and reduce the cost. In this review, we overview recent advances in Pt‐based core‐shell catalysts according to catalytic reaction types involved in PEMFCs. Furthermore, we discuss the working principle of core‐shell catalysts from the perspective of coupling between core and shell. In the end, we conclude the recent progress and discuss the future developments and facing challenges.
Computational coupled large‐deformation periporomechanics for dynamic failure and fracturing in variably saturated porous media
Authors: Menon Shashank , Song Xiaoyu 
Published: August 2022

AbstractThe large‐deformation mechanics and multiphysics of continuous or fracturing partially saturated porous media under static and dynamic loads are significant in engineering and science. This article is devoted to a computational coupled large‐deformation periporomechanics paradigm assuming passive air pressure for modeling dynamic failure and fracturing in variably saturated porous media. The coupled governing equations for bulk and fracture material points are formulated in the current/deformed configuration through the updated Lagrangian–Eulerian framework. It is assumed that the horizon of a mixed material point remains spherical and its neighbor points are determined in the current configuration. As a significant contribution, the mixed interface/phreatic material points near the phreatic line are explicitly considered for modeling the transition from partial to full saturation (vice versa) through the mixed peridynamic state concept. We have formulated the coupled constitutive correspondence principle and stabilization scheme in the updated Lagrangian–Eulerian framework for bulk and interface points. We numerically implement the coupled large deformation periporomechanics through a fully implicit fractional‐step algorithm in time and a hybrid updated Lagrangian–Eulerian meshfree method in space. Numerical examples are presented to validate the implemented stabilized computational coupled large‐deformation periporomechanics and demonstrate its efficacy and robustness in modeling dynamic failure and fracturing in variably saturated porous media.
Modification of the diabetes prevention program for the treatment of nonalcoholic fatty liver disease: A pilot study
Authors: Hershman Melissa , Torbjornsen Karen , Pang Daniel , Wyatt Brooke , Dieterich Douglas T. , Perumalswami Ponni V. , Branch Andrea D. , Dinani Amreen M. 
Published: August 2022

AbstractObjectiveThe Diabetes Prevention Program (DPP) is the gold standard lifestyle modification program that reduces incident type 2 diabetes mellitus. Patients with prediabetes and patients with non‐alcoholic fatty liver disease (NAFLD) often share metabolic features; we hypothesized that the DPP could be adapted and used to improve outcomes in patients with NAFLD.MethodsNAFLD patients were recruited into a 1 year modified DPP. Demographics, medical comorbidities, and clinical laboratory values were collected at baseline, 6 and 12 months. The primary endpoint was change in weight at 12 months. Secondary endpoints were changes in hepatic steatosis, metabolic comorbidities, and liver enzymes (per‐protocol basis) and retention at 6 and 12 months.ResultsFourteen NAFLD patients enrolled; three dropped out before 6 months. From baseline to 12 months, hepatic steatosis (p = 0.03), alanine aminotransferase (p = 0.02), aspartate aminotransferase (p = 0.02), high‐density lipoprotein (p = 0.01) and NAFLD fibrosis score (p < 0.001) improved, but low‐density lipoprotein worsened (p = 0.04).ConclusionSeventy‐nine percent of patients completed the modified DPP. Patients lost weight and had improvements in five out of six indicators of liver injury and lipid metabolism.Clinical Trial Registry NumberNCT04988204.
Effect of NdFeB particle size on the performance of 3D printed bonded magnets of polyamide‐based composites
Authors: Xu Zhiqiang , Chen Feng , Wang Xiaodong , Chen Kewen , Tang Zhifa , Bo Xinqian , Jiang Shengqiang 
Published: August 2022

AbstractAdditive manufacturing has been widely used in the field of bonded magnets manufacturing. However, there are some key issues to be faced in order to obtain bonded magnets (BMs) with high performance. In this study, four different particle sizes of flake NdFeB powder (volume‐weighted mean diameter [VMD] of 5.60 μm, 19.21 μm, 33.25 μm, and 66.69 μm) were obtained by vibratory sieving. Flexible filaments for 3D printing BMs were produced using polyamide‐6 (PA6) as the substrate, and the production process is reported in this paper. Characterization of the performance of the 3D‐printed BMs revealed that the BMs with VMD less than 10 μm have excellent mechanical strength, but the ductility of the magnets decreases with decreasing VMD of NdFeB powder. As the NdFeB VMD decreases, the coercivity of the sample decreases and the remanence increases. This study provides a reference for the selection of filler particle size for 3D printing BMs, which can be used to develop 3D‐printed BMs with excellent performance.
High‐efficiency recombinant protein purification using mCherry and YFP nanobody affinity matrices
Authors: Cong Anh T. Q. , Witter Taylor L. , Schellenberg Matthew J. 
Published: August 2022

AbstractMammalian cell lines are important expression systems for large proteins and protein complexes, particularly when the acquisition of post‐translational modifications in the protein's native environment is desired. However, low or variable transfection efficiencies are challenges that must be overcome to use such an expression system. Expression of recombinant proteins as a fluorescent protein fusion enables real‐time monitoring of protein expression, and also provides an affinity handle for one‐step protein purification using a suitable affinity reagent. Here, we describe a panel of anti‐GFP and anti‐mCherry nanobody affinity matrices and their efficacy for purification of GFP/YFP or mCherry fusion proteins. We define the molecular basis by which they bind their target proteins using X‐ray crystallography. From these analyses, we define an optimal pair of nanobodies for purification of recombinant protein tagged with GFP/YFP or mCherry, and demonstrate these nanobody‐sepharose supports are stable to many rounds of cleaning and extended incubation in denaturing conditions. Finally, we demonstrate the utility of the mCherry‐tag system by using it to purify recombinant human topoisomerase 2α expressed in HEK293F cells. The mCherry‐tag and GFP/YFP‐tag expression systems can be utilized for recombinant protein expression individually or in tandem for mammalian protein expression systems where real‐time monitoring of protein expression levels and a high‐efficiency purification step is needed.
Caprylic acid in Vitex mollis fruit and its inhibitory activity against a thiabendazole‐resistant Colletotrichum gloeosporioides strain
Authors: López‐Velázquez Jordi G , Ayón‐Reyna Lidia E , Vega‐García Misael O , López‐Angulo Gabriela , López‐López Martha E , López‐Zazueta Blanca A , Delgado‐Vargas Francisco 
Published: August 2022

AbstractBACKGROUNDColletotrichum gloeosporioides causes anthracnose in a large number of crops. Synthetic fungicides are employed to prevent this disease, even though their effectiveness and safety is questionable. Thus, effective and innocuous antifungal compounds are proposed as natural alternatives against anthracnose. The hexane fraction of Vitex mollis pulp (HF‐VM) reduces anthracnose incidence in papaya fruit; however, the active compounds and antifungal mechanism of HF‐VM are unknown. The aims of this study were to characterize the activity of HF‐VM sub‐fractions (sHF1–sHF7) against a thiabendazole‐resistant Colletotrichum gloeosporioides strain, identify the chemical components and investigate the mechanism of the most active sub‐fraction.RESULTSThe sHF3 showed the highest inhibitory activity against Colletotrichum gloeosporioides with a minimal inhibitory concentration (MIC) of 0.5 mg mL−1, whereas thiabendazole (TBZ) had a MIC value higher than 2 mg mL−1. The gas chromatography–mass spectrometry (GC–MS) analysis showed that the compounds in sHF3 were methyl 4‐decenoate, caprylic acid, and 24‐methylencycloartanol. These compounds are rarely found in fruits and are reported for the first time on Vitex species. The purified 24‐methylencycloartanol was inactive (MIC > 0.5 mg mL−1). In contrast, the commercial standard of caprylic acid presented an elevated activity (MIC = 0.125 mg mL−1), indicating that this compound is the main one responsible for the antifungal properties of sHF3. Furthermore, the sHF3 inhibited the spore germination and induced membrane disruption in both the spore and mycelium of Colletotrichum gloeosporioides.CONCLUSIONVitex mollis fruit is a novel source of antifungal caprylic acid that could be employed as a marker to prepare standardized extracts with antifungal properties. © 2022 Society of Chemical Industry.
High resolution mass spectrometry‐driven metabolite profiling of baricitinib to report its unknown metabolites and step‐by‐step reaction mechanism of metabolism
Authors: Rachmale Megha , Rajput Niraj , Jadav Tarang , Sahu Amit Kumar , Sharma Satyasheel , Sengupta Pinaki 
Published: August 2022

RationaleMetabolite profiling is an integral part of the drug development process for selecting candidates with high therapeutic efficacy and low risk. Baricitinib (BARI) was approved in 2018 by the US Food and Drug Administration to treat rheumatoid arthritis. According to the available literature, no systematic study has been reported on the metabolite profiling of BARI. The biotransformation pathway of the drug has also not been established until recently. This study aims to identify BARI metabolites generated in in vitro matrices.MethodsThe in vitro metabolism study was carried out using rat liver microsome, human liver microsomes, and human S9 fraction. Ultra high‐performance liquid chromatography quadrupole time‐of‐flight tandem mass spectrometry (U‐HPLC‐Q/TOF) and ultra‐high‐performance liquid chromatography/linear ion trap‐Orbitrap mass spectrometry (U‐HPLC/LTQ‐Orbitrap‐MS/MS) were used to identify and characterize the metabolites of BARI. The in silico toxicity of BARI and its metabolite was studied using ProTox‐II toxicity predictor software.ResultsA total of five new metabolites have been identified amongst which two (M1 and M2) were detected on both U‐HPLC/LTQ‐Orbitrap‐MS/MS and U‐HPLC‐Q/TOF and two additional metabolites (M4 and M5) were detected on U‐HPLC/LTQ‐Orbitrap‐MS/MS. Moreover, one metabolite (M3) was only detected on LC‐QTOF.ConclusionsThe major metabolic changes were found to be N‐dealkylation, demethylation, hydroxylation, and hydrolysis. Metabolites M3 and M4 were found to have the potential for carcinogenicity. The novelty of the study can be justified by the unavailability of any previous research on in vitro metabolite profiling of BARI. Furthermore, this is the first time the biotransformation pathway of BARI and the toxicity potential of its metabolites have been reported.
Sustainable development and stakeholder engagement in the agri‐food sector: Exploring the nexus between biodiversity conservation and information technology
Authors: Aké Kouassi Marius Honoré , Boiral Olivier 
Published: August 2022

AbstractOrganizations across various industries engage in biodiversity conservation as a way to achieve sustainable development and to manage stakeholder engagement expectations. Although the importance of information and communication technology to promote biodiversity conservation has been recognized, little attention has been devoted to shedding more light on corporate practices in this area. This study explores how organizations do use information technology and reporting practices to influence stakeholders' perceptions on biodiversity initiatives. Data are collected from agri‐food companies listed by the Fortune Global 500. Based on a qualitative content analysis approach, this research found that geospatial technologies and web‐based features support organizations' impression management efforts with regard to their biodiversity conservation practices. More precisely, our findings suggest that organizational impression management tactics of abstraction, selectivity and self‐promotion are used to rationalize corporate actions in this area. The paper develops a better understanding of corporate tactics aimed at influencing stakeholders' perceptions of the reliability and credibility of companies' biodiversity conservation practices. Implications of the results for the stakeholders of business organizations are also discussed. This study offers contributions to the body of literature on biodiversity reporting, communication technology and impression management tactics. Managerial implications and avenues for future research are also described.