bluuebunny/crossref_metadata_2025_split huggingface dataset:
DFT Mechanistic Investigation on Manganese Pincer Complex Catalysed Cross‐Coupling of Methanol with Benzyl Alcohol to Afford Methyl Benzoate
Authors: Ali Qaim , Li Zhewei , Zhang Lin , Luo Chenguang , Pu Min , Lei Ming 
Published: April 2023

AbstractIn this paper the density functional theory (DFT) method was employed to investigate the cross‐coupling of methanol with benzyl alcohol to afford methyl benzoate, catalysed by Mn‐PNN pincer complex. The whole reaction process mainly includes three stages: the dehydrogenation of benzyl alcohol to benzaldehyde, the coupling of benzaldehyde with methanol to hemiacetal and the dehydrogenation of hemiacetal to methyl benzoate. The calculated results indicated that two dehydrogenation processes are influenced by two competitive mechanisms of inner and outer spheres. Dehydrogenation of benzyl alcohol to benzaldehyde is the rate‐determining step of the whole reaction, with the energy barrier of 22.1 kcal/mol. In addition, the regeneration of catalyst is also extremely important. Compared with direct dehydrogenation, the dehydrogenation mode assisted by formic acid is more advantageous. This work might provide theoretical insights and shed light on the design of cheap transition‐metal catalysts for the dehydrogenation reaction.
Catalytic Cracking of Polylactic Acid to Acrylic Acid
Authors: Jiao Yuchen , Wang Meng , Ma Ding 
Published: April 2023

Comprehensive SummaryAs a typical type of sustainable plastic, polyesters can be recycled or upcycled into value‐added chemicals in a variety of methods. However, excess reagents are required for most of the depolymerization and upcycling processes, causing the emission of environmental pollutants and the waste of chemical resources. Here we demonstrate a one‐pot catalytic process to directly crack polylactic acid into acrylic acid by acid catalyst with the assistance of an ionic liquid, Bu4PBr. Polylactic acid is attacked by the Br– from Bu4PBr and the H+ from acid to form oligomers containing Br or acryloyl group, and these oligomers serve as intermediates to produce acrylic acid during their mutual transformation. The acrylic acid is vaporized directly from the reactor and obtained in a collector with a selectivity around 90 % when polylactic acid is fully converted. This green process shows great advantages in atom economy compared to the conventional recycling/upcycling methods for polyesters, in addition, a better efficiency in converting the polymer than the corresponding monomer could inspire new upcycle strategies for different plastic wastes.
Green Oxidation of Isochromans to Isochromanones with Molecular Oxygen Catalyzed by a Tetranuclear Vanadium Cluster
Authors: Huang Huixin , Chen Baokuan , Fu Yiru , Sun Jing , Bi Yanfeng , Zhou Ming‐Dong 
Published: April 2023

Comprehensive SummaryIsochromanone is the core structure of many bioactive compounds. Direct oxidation of isochromans is one of leading methods for the construction of isochromanones, while most established processes remain suffering from the use of environmentally unfriendly metal oxidants, harsh reaction conditions, and the difficulty in catalyst recycling and product separation. Herein, we report a convenient, cost‐effective, and green method for the synthesis of high‐value added isochromanones via isochroman oxidations with O2 by a novel heterogeneous vanadium cluster catalyst (Cat.1) under mild conditions. This reaction protocol demonstrates high catalytic activity with good catalyst recyclability and reusability for a wide scope of substrates.
ECG‐based cardiodynamicsgram can reflect anomalous functional information in coronary artery disease
Authors: Wang Ying , Sun Jiaxin , Sun Kui , Li Lin , Yu XinXin , Wang Cong , Gu Hui , Sun Qinghua , Wang Ximing 
Published: April 2023

AbstractBackgroundThe cardiodynamicsgram (CDG), a novel noninvasive method, extracts dynamic ST‐T segment information from an electrocardiogram (ECG) through deterministic learning.HypothesisThe CDG can reflect anomalous functional information in coronary artery disease (CAD).MethodsWe retrospectively enrolled 456 patients with suspected CAD who underwent coronary computed tomography angiography (CCTA) from January 2020 to 2022, followed immediately by standard 12‐lead ECG acquisition. Positivity for CAD were defined as CCTA ≥ 50% or CT‐derived fractional flow reserve (CT‐FFR) ≤ 0.8. A CDG value <0 was considered negative; otherwise, it was considered positive. We also evaluated the diagnostic performance of the CDG in the ECG‐diagnosis‐negative subgroup and in patients who had undergone invasive coronary angiography (ICA) after CCTA.ResultsOf 362 patients, 168 (46.41%) were positive for CAD, and 178 (49.17%) were men. The median age was 59 (52−66) years. The accuracy of the CDG in the diagnosis of CAD was 79.56%, with a sensitivity, specificity, and the area under the receiver operating characteristic curve (AUC) of 75.60%, 82.99%, and 0.836 (95% CI: 0.794−0.878), respectively. Similarly, in the ECG‐diagnosis–negative subgroup (n = 223), the accuracy of the CDG was 80.27%, with an AUC of 0.842 (95% CI: 0.790−0.895). Among the 11 patients with CAD confirmed by ICA, 10 were diagnosed positive by the CDG. Furthermore, the CDG values and CT‐FFR were correlated (r = −.395; p < .001).ConclusionsThe ECG‐based CDG has relatively high specificity and accuracy for the diagnosis of CAD and reflects functional cardiac information to some extent. It has the potential to be used as a screening tool for suspected CAD patients before CCTA.
Booster Adhesion of Crystalline Poly(vinylidene fluoride) Binder by Heat Treatment for Ni‐rich Layered Oxide Cathode in Lithium‐ion Batteries
Authors: Kim Jineun , Lee Suhyun , Jeong Seonghun , Hong Meihua , Ho Van‐Chuong , Park Yeong Don , Kim Ki Jae , Mun Junyoung 
Published: April 2023

AbstractHigh energy density of lithium‐ion batteries is crucial for highly efficient battery systems. Ni‐rich layered oxide cathode materials with a high specific capacity have garnered considerable interest. Ni‐rich cathode materials exhibit rather large volume fluctuations during charging and discharging, unlike traditional cathode materials. This study investigated the electrochemical performance of a Ni‐rich cathode with a focus on controlling binder adhesion of poly(vinylidene fluoride) (PVDF), which is the most feasible cathode binder for battery manufacturing, to mitigate the failure mode of volume changes. A simple heat treatment of 200 °C over melting point is effective to enhance binding force by altering nanoscale alignment of PVDF. The study evaluates the electrochemical properties of the Ni‐rich cathode with different levels of binder adhesion to determine the optimal binder conditions for high performance.
Overview of Genotyping Technologies and Methods
Authors: Kockum Ingrid , Huang Jesse , Stridh Pernilla 
Published: April 2023

AbstractGenetics is a cornerstone of molecular biology, and there have been significant developments in genotyping technologies during the last decades. Genotyping can be used for a wide range of applications, such as genealogy, assessing risks and causes for common diseases and health conditions, animal and human research, and forensic investigations. So how do you perform a genetic study? This overview covers key concepts in genetics, the development of common genotyping methods, and a comparison of several techniques, including PCR, microarrays, and sequencing. A general process of the steps involved in genotyping, from DNA preparation to quality control, is described with relevant protocols referenced. Different types of DNA variants are illustrated, including mutations, SNP, insertions, deletions, microsatellites, and copy number variations, with examples of their involvement in disease. We discuss the utilities of genotyping, such as medical genetics, genome‐wide association studies (GWAS), and forensic science. We also provide tips for quality control, analysis, and results interpretation to help the reader design and perform a genetic study or scrutinize such studies from the literature. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.
An in vitro study evaluating the efficacy of a novel mount with torque control designed to tighten Osstell® transducers
Authors: Naughton David , Donnelly‐Swift Erica , Polyzois Ioannis 
Published: April 2023

AbstractObjectivesTo evaluate the efficacy of a novel mount with torque control for tightening of Osstell® transducers and to determine the reliability of recorded ISQ measurements from implants placed in various bone densities.Material and MethodsFifty‐six implants, comprising seven different implant types, were placed in eight polyurethane blocks representing D1, D2, D3, and D4 bone densities. Resonance frequency analysis (RFA) transducers were attached to each implant in four different ways: (a) hand tightening, (b) hand tightening with a SmartPeg Mount™, (c) hand tightening using the novel mount with torque control (SafeMount) and (d) tightening to 6 Ncm with a calibrated torque device. ISQ measurements were taken and a second operator repeated the measurements. Intraclass correlation coefficient (ICC) was calculated to assess the reliability of the measurements and linear mixed effects regression was employed to determine the effect explanatory variables had on ISQ values.ResultsThere was a statistically significant difference in ISQ values obtained by hand tightening transducers compared to the calibrated torque device p < .001, 95%(−2.89, −1.21) but not between any other tightening methods. There was excellent agreement between the two RFA devices (ICC 0.986) and between buccal and mesial measurements (ICC 0.977). For all transducer tightening methods there was excellent inter‐operator agreement in D1 and D2 (ICC > 0.8) but very poor agreement in D4 (ICC < 0.24). Bone density accounted for 36% of the variation in ISQ values, the implant for 11% and the operator for 6%.ConclusionsSafeMount, did not significantly improve the reliability of the RFA measurements when compared to the standard mount, but calibrated torque devices seem to have benefits when compared to tightening the transducers by hand. Results also indicate that the ISQ values should be interpreted with caution when measuring implant stability in poor quality bone regardless of the implant geometry.
Metal−Organic Precursors for Transition‐Metal‐Doped Ni2P via Pyrolysis for Efficient Overall Water Splitting and Supercapacitance
Authors: Sibiya Syabonga G. , Ayom Gwaza E. , Khan Malik D. , Choi Jonghyun , Bhoyate Sanket , Gupta Ram K. , Revaprasadu Neerish 
Published: April 2023

AbstractThe synthesis of solvent‐less bare‐surface nickel phosphides is desired, considering their superior electrocatalytic properties and straightforward synthetic protocols compared to their analogues prepared from colloidal routes. Herein, we report the synthesis of [Ni{S2P(OH)(4‐CH3OC6H4)}2] (1), [Fe{S2P(OH)(4‐CH3OC6H4)}3] (2) and [Co{S2P(OC4H9)(4‐CH3OC6H4)}3] (3) and their utilization to form Ni2P, Fe‐Ni2P and Co‐Ni2P in a solvent‐less pyrolysis method. This solvent‐free protocol involved the decomposition of complex (1) and the composites of complex (1) with (2) or (3) in the presence of triphenylphosphine (TPP) at 400 °C for one hour. The solvent‐less decomposition of complex (1) without TPP formed nickel sulfide. A plausible explanation for this rare fabrication of pristine and doped Ni2P in the absence of any solvent is suggested. All the transition metal doped phosphides improved the HER performance of pristine Ni2P, with the 5 % Fe doped Ni2P having the best performance, requiring 137 mV to reach a current density of 10 mA/cm2. Similarly, the OER performance of un‐doped Ni2P was improved by all the doped Ni2P catalysts, where 10 % Fe‐doped Ni2P showed the best performance requiring 326 mV to reach a current density of 10 mA/cm2. Transition metal doping was also shown to improve the reaction kinetics, stability and durability of the solvent‐free prepared Ni2P.
High‐Performance Isotropic Thermo‐Electrochemical Cells Using Agar‐Gelled Ferricyanide/Ferrocyanide/Guanidinium
Authors: Jiang Lixian , Horike Shohei , Mukaida Masakazu , Kirihara Kazuhiro , Seki Kazuhiko , Wei Qingshuo 
Published: April 2023

AbstractAn isotropic thermo‐electrochemical cell is introduced with a high Seebeck coefficient (Se) of 3.3 mV K−1 that uses a ferricyanide/ferrocyanide/guanidinium‐based agar‐gelated electrolyte. A power density of about 20 µW cm−2 is achieved at a temperature difference of about 10 K, regardless of whether the heat source is on the top or bottom section of the cell. This behavior is very different from that of cells with liquid electrolytes, which exhibit high anisotropy, and for which high Se values are achieved only by heating the bottom electrode. The guanidinium‐containing gelatinized cell does not exhibit steady‐state operation, but its performance recovers when disconnected from the external load, suggesting that the observed power drop under load conditions is not due to device degeneration. The large Se value and isotropic properties can mean that the novel system represents a major advancement from the standpoint of harvesting of low‐temperature heat, such as body heat and solar thermal heat.
Advances in Wearable Piezoelectric Sensors for Hazardous Workplace Environments
Authors: Mokhtari Fatemeh , Cheng Zhenxiang , Wang Chun H , Foroughi Javad 
Published: April 2023

AbstractRecent advances in wearable energy harvesting technology as solutions to occupational health and safety programs are presented. Workers are often exposed to harmful conditions—especially in the mining and construction industries—where chronic health issues can emerge over time. While wearable sensors technology can aid in early detection and long‐term exposure tracking, powering them and the associated risks are often an impediment for their widespread use, such as the need for frequent charging and battery safety. Repetitive vibration exposure is one such hazard, e.g., whole body vibration, yet it can also provide parasitic energy that can be harvested to power wearable sensors and overcome the battery limitations. This review can critically analyze the vibration effect on workers’ health, the limitations of currently available devices, explore new options for powering different personal protective equipment devices, and discuss opportunities and directions for future research. The recent progress in self‐powered vibration sensors and systems from the perspective of the underlying materials, applications, and fabrication techniques is reviewed. Lastly, the challenges and perspectives are discussed for reference to the researchers who are interested in self‐powered vibration sensors.
Biodegradation in Composting Conditions of PBEAS Monofilaments for the Sustainable End‐Use of Fishing Nets
Authors: Kim Jungkyu , Park Subong , Bang Junsik , Jin Hyoung‐Joon , Kwak Hyo Won 
Published: April 2023

AbstractThe development and utilization of biodegradable plastics is an effective way to overcome environmental pollution caused by the disposal of non‐degradable plastics. Recently, polybutylene succinate co‐butylene adipate co‐ethylene succinate co‐ethylene adipate, (PBEAS) a biodegradable polymer with excellent strength and elongation, was developed to replace conventional nylon‐based non‐degradable fishing nets. The biodegradable fishing gear developed in this way can greatly contribute to inhibiting ghost fishing that may occur at the fishing site. In addition, by collecting the products after use and disposing of them in composting conditions, the environmental problem such as the leakage of microplastics strongly can be prevented. In this study, the aerobic biodegradation of PBEAS fishing nets under composting conditions is evaluated and the resulting changes in physicochemical properties are analyzed. The PBEAS fishing gear exhibits a mineralization rate of 82% in a compost environment for 45 days. As a result of physicochemical analysis, PBEAS fibers show a representative decrease in molecular weight and mechanical properties under composting conditions. PBEAS fibers can be used as eco‐friendly biodegradable fishing gear that can replace existing non‐degradable nylon fibers, and in particular, fishing gear collected after use can be returned to nature through biodegradation under composting conditions.
Impact on stakeholders of a cultural adaptation of a social and emotional well‐being intervention in an Aboriginal community
Authors: Donovan Robert J. , Drane Catherine F. , Owen Julie , Murray Lesley , Nicholas Amberlee , Anwar‐McHenry Julia 
Published: April 2023

AbstractPurposeAustralian Indigenous people conceptualise health broadly as situated within a social and emotional well‐being (SEWB) framework. A consultation process with an Aboriginal community revealed that the fundamental principles of the population wide, community‐based Act‐Belong‐Commit mental health promotion Campaign were consistent with Aboriginal people's understanding of SEWB and that a cultural adaptation of the Campaign would be welcomed in the community. The purpose of this paper is to present key stakeholders' feedback on the Campaign adaptation.MethodologyTwo years after implementation of the Campaign, individual in‐depth interviews were conducted with a purposeful sample of n = 18 Indigenous and non‐Indigenous stakeholders to identify ongoing issues in the community and assess their reactions to the Campaign implementation and perceptions of the effects of the Campaign on the community.ResultsThe two primary factors influencing stakeholder acceptance of the Campaign in the community were (i) the nature of the consultation process that clearly acknowledged that it was for the community to decide whether or not to adopt the Campaign and (ii) the ability of the Aboriginal Project Manager to gain the trust of the community, bring stakeholders together and illustrate the Act‐Belong‐Commit principles in her actions in the community. Stakeholders reported observing social and emotional well‐being benefits for individuals, their families and the whole community.ConclusionOverall, the results suggest that the Act‐Belong‐Commit mental health promotion Campaign can be successfully culturally adapted as a community‐based, social and emotional well‐being Campaign in Aboriginal and Torres Strait communities.So What?The Act‐Belong‐Commit cultural adaptation in Roebourne provides an evidence‐based best practice model for the development of culturally appropriate mental health promotion campaigns in Indigenous communities around Australia.
Numerical investigation of an enhanced PTC absorber tube using cylindrical inserts
Authors: Haddouche Mohammed Reda 
Published: April 2023

AbstractThe main purpose of this study is to investigate numerically the thermal performance of a parabolic trough solar collector's absorber tube that contains a novel kind of inserts with the objective to improve the heat transfer between the heat transfer fluid and the absorber tube. In the first part of this paper, the diameter and the length of the cylindrical inserts are investigated based on finite volume method and Monte Carlo ray tracing method for Reynolds number ranges from 2.36 × 104 to 7.09 × 104. In the second part, the eccentricity of the cylindrical inserts is investigated under the same operating conditions. The Therminol®VP1 is the HTF that is used in this investigation's intermediate fluid. The numerical simulation indicates that the perturbators enhance the thermal behavior of the receiver and reduces the absorber tube's temperature difference.
Effect of rotation and internal heat generation on Darcy–Brinkman convection in Oldroyd‐B liquid
Authors: Swamy Mahantesh S. , Nandeppanavar Mahantesh M. 
Published: April 2023

AbstractConvection in an Oldroyd‐B liquid saturated highly permeable porous medium is studied via both linear and nonlinear theories. Estimating a convection threshold is the objective of linear‐stability analysis whereas convection amplitudes and heat transfer are elucidated by performing nonlinear‐stability analysis. The eigenvalue problem is solved by the Galerkin method of weighted residuals. The oscillatory mode becomes dominant over the stationary mode. This is because of the race among diffusivity, viscoelasticity, internal‐heat generation, and rotation. The increasing permeability, internal heat generation coefficient, and stress‐relaxation parameter are liable to subcritical motions while the rotation, viscosities ratio, heat capacities ratio, and strain retardation parameter are responsible for the system attaining a supercritical state. The Runge–Kutta–Gill method presents the mechanism to evaluate the amount of heat transfer. The increasing Rayleigh number, internal Rayleigh number, Darcy number, Deborah number, Prandtl number, and the heat capacities ratio enhance the heat transfer. This offers a convenient mechanism for regulating convection. The results obtained in the present paper are expected to play a decisive role in some of the real‐life applications such as oil‐reservoir modeling, crude oil extraction, crystal growth, medicine industries, geothermal‐energy utilization, and so on.
Perfusion and T2 Relaxation Time as Predictors of Severity and Outcome in Sepsis‐Associated Acute Kidney Injury: A Preclinical MRI Study
Authors: Zhao Wan‐Ting , Herrmann Karl‐Heinz , Sibgatulin Renat , Nahardani Ali , Krämer Martin , Heitplatz Barbara , van Marck Veerle , Reuter Stefan , Reichenbach Jürgen R. , Hoerr Verena 
Published: April 2023

BackgroundPreventing sepsis‐associated acute kidney injury (S‐AKI) can be challenging because it develops rapidly and is often asymptomatic. Probability assessment of disease progression for therapeutic follow‐up and outcome are important to intervene and prevent further damage.PurposeTo establish a noninvasive multiparametric MRI (mpMRI) tool, including T1, T2, and perfusion mapping, for probability assessment of the outcome of S‐AKI.Study TypePreclinical randomized prospective study.Animal ModelOne hundred and forty adult female SD rats (65 control and 75 sepsis).Field Strength/Sequence9.4T; T1 and perfusion map (FAIR‐EPI) and T2 map (multiecho RARE).AssessmentExperiment 1: To identify renal injury in relation to sepsis severity, serum creatinine levels were determined (31 control and 35 sepsis). Experiment 2: Animals underwent mpMRI (T1, T2, perfusion) 18 hours postsepsis. A subgroup of animals was immediately sacrificed for histology examination (nine control and seven sepsis). Result of mpMRI in follow‐up subgroup (25 control and 33 sepsis) was used to predict survival outcomes at 96 hours.Statistical TestsMann–Whitney U test, Spearman/Pearson correlation (r), P < 0.05 was considered statistically significant.ResultsSeverely ill septic animals exhibited significantly increased serum creatinine levels compared to controls (70 ± 30 vs. 34 ± 9 μmol/L, P < 0.0001). Cortical perfusion (480 ± 80 vs. 330 ± 140 mL/100 g tissue/min, P < 0.005), and cortical and medullary T2 relaxation time constants were significantly reduced compared to controls (41 ± 4 vs. 37 ± 5 msec in cortex, P < 0.05, 52 ± 7 vs. 45 ± 6 msec in medulla, P < 0.05). The combination of cortical T2 relaxation time constants and perfusion results at 18 hours could predict survival outcomes at 96 hours with high sensitivity (80%) and specificity (73%) (area under curve of ROC = 0.8, Jmax = 0.52).Data ConclusionThis preclinical study suggests combined T2 relaxation time and perfusion mapping as first line diagnostic tool for treatment planning.Level of Evidence2Technical Efficacy Stage2