bluuebunny/crossref_metadata_2025_split huggingface dataset:
Revealing the Effect of Mass Transfer on Direct Dehydrogenation of Ethylbenzene Catalyzed by Phosphorous‐doped Boron Nitride: Comparative Study
Authors: Liu Yuwei , Xu Fan , Yuan Nicui , Lin Baining , Zhou Yonghua 
Published: November 2021

AbstractPhosphorous‐doped boron nitride (PBN) was previously confirmed to be an effective metal‐free catalyst for the challenging topic of ethylbenzene direct dehydrogenation (DDH) to styrene. Here, the effect of mass transfer factors including the porosity and surface exposure degree of mesoporous‐PBN (m‐PBN) on its performance over DDH was investigated by control experiments. The central pore size of m‐PBN was closely dependent on the thiourea amount and heating rate. The m‐PBN with optimal pore size delivered a significantly improved styrene production rate of 21.47 mmolST g−1 h−1 and styrene selectivity over 98 %. Further, when m‐PBN was in‐situ grown on cordierite, the activity and stability of catalyst could be further enhanced to 27.08 mmolST g−1 h−1 for 50 h stable run, which presented a promising industrial application prospect. This paper justified that the mass transfer factors involved in two‐dimensional metal‐free catalysts were crucial for DDH of ethylbenzene.
Three‐dimensionally Ordered Macro‐porous Metal‐organic Framework for High‐performance Lithium‐sulfur Battery
Authors: Wang Tong , Liu Yanyu , Liu Xin , Cui Guoliang , Zhang Yongguang , Wang Xin 
Published: November 2021

AbstractThe commercial application of lithium‐sulfur (Li−S) battery is greatly hampered by the shuttling of lithium polysulfide (LiPS). In this work, a double‐solution‐induced method is proposed to synthesize multifunctional three‐dimensionally ordered macro‐micro porous MOFs (3DOM ZIF67) as an efficient promotor to achieve excellent electrochemical performance. The unique ordered macro‐porous structure not only accelerates ion diffusion and charge transfer, but also enlarges the active interfaces. In addition, the nanometric ZIF67 unit with high porosity can achieve strong sulfur immobilization and catalysis by chemical interaction with LiPS, which vastly inhibited shuttle effect and promoted the rapid redox kinetics. As expected, the S/3DOM ZIF67 cathode achieves a high capacity of 920.7 mAh g−1 at 1.0 C and excellent cycle performance over 500 cycles. This design offers a feasible way to develop MOF‐based materials with efficient adsorption and electrocatalysis for high‐performance Li−S battery.
Mn12‐Acetate Complexes Studied as Single Molecules
Authors: Tombers Matthias , Meyer Jennifer , Meyer Jonathan , Lawicki Arkadiusz , Zamudio‐Bayer Vicente , Hirsch Konstantin , Lau J. Tobias , von Issendorff Bernd , Terasaki Akira , Schlathölter Thomas A. , Hoekstra Ronnie A. , Schmidt Sebastian , Powell Annie K. , Kessler Eva , Prosenc Marc H. , van Wüllen Christoph , Niedner‐Schatteburg Gereon 
Published: November 2021

AbstractThe phenomenon of single molecule magnet (SMM) behavior of mixed valent Mn12 coordination clusters of general formula [MnIII8MnIV4O12(RCOO)16(H2O)4] had been exemplified by bulk samples of the archetypal [MnIII8MnIV4O12(CH3COO)16(H2O)4] (4) molecule, and the molecular origin of the observed magnetic behavior has found support from extensive studies on the Mn12 system within crystalline material or on molecules attached to a variety of surfaces. Here we report the magnetic signature of the isolated cationic species [Mn12O12(CH3COO)15(CH3CN)]+ (1) by gas phase X‐ray Magnetic Circular Dichroism (XMCD) spectroscopy, and we find it closely resembling that of the corresponding bulk samples. Furthermore, we report broken symmetry DFT calculations of spin densities and single ion tensors of the isolated, optimized complexes [Mn12O12(CH3COO)15(CH3CN)]+ (1), [Mn12O12(CH3COO)16] (2), [Mn12O12(CH3COO)16(H2O)4] (3), and the complex in bulk geometry [MnIII8MnIV4O12(CH3COO)16(H2O)4] (5). The found magnetic fingerprints – experiment and theory alike – are of a remarkable robustness: The MnIV4 core bears almost no magnetic anisotropy while the surrounding MnIII8 ring is highly anisotropic. These signatures are truly intrinsic properties of the Mn12 core scaffold within all of these complexes and largely void of the environment. This likely holds irrespective of bulk packing effects.
Low‐Threshold Amplified Spontaneous Emission from Air‐Stable CsPbBr3 Perovskite Films Containing Trace Amounts of Polyethylene Oxide
Authors: Tian Kun , Lu Yannan , Liu Ruqing , Loh Xian Jun , Young David James 
Published: November 2021

AbstractOrganic additives can enhance the amplified spontaneous emission (ASE) performance of inorganic cesium lead halide perovskites (CsPbBr3) but volatility, potential hygroscopicity and oxidative degradation of these additives jeopardizes the thermal stability and shelf‐life of blended CsPbBr3 films. To address this problem, we have fabricated perovskite films in a two‐step solution protocol involving as little added polyethylene oxide (PEO) as possible. These films exhibited enhanced crystallization, improved photoluminescence (PL) intensity and prolonged lifetimes. Their hierarchical morphology and surface passivation lowered the ASE threshold from 278 to 176 μЈ/cm2 under one‐photon nanosecond laser excitation. The proportion of added PEO was 0.3 wt% and was subsequently almost fully removed, thereby reducing its adverse influence on the stability of resulting films under continuous pulsed laser excitation. Stable ASE spectra could be stimulated after storage in air for 10 months.
Dropout in brief psychotherapy for major depressive disorder: Randomized clinical trial
Authors: da Silva Machado Rosiene , Vieira Igor Soares , Mondin Thaise C. , Scaini Carolina Rheingantz , Molina Mariane Lopez , Jansen Karen , de Mattos Souza Luciano Dias , Duarte Malu Ribeiro , Simjanoski Mario , da Silva Ricardo Azevedo 
Published: November 2021

AbstractThe aim of this paper is to analyse the factors associated with the dropout from brief psychotherapy for adults with major depressive disorder (MDD) treated at a mental health outpatient clinic. This is a randomized clinical trial with two models of psychotherapy: cognitive behavioural therapy (CBT) and supportive expressive dynamic psychotherapy (SEDP). MDD and anxiety disorders were evaluated through the Mini International Neuropsychiatric Interview‐Plus. The personality disorders were evaluated by the Millon Clinical Multiaxial Inventory‐III. The severity of depressive symptoms was measured using the Beck Depression Inventory‐II and resilience through Resilience Scale. Of the 215 participants, 41.9% abandoned psychotherapy (n = 90), and, of these, 54.4% (n = 49) abandoned after the fourth session. The proportion of psychotherapy dropout was higher among those with nonwhite skin colour, belonging to economic classes C and D, who had children and whose depressive symptoms were moderate. Presence of obsessive–compulsive personality trait was protective against dropout. The damage caused by this abrupt interruption is evident for all those involved in the psychotherapeutic process, so the clinician should pay attention to the predictors found in this study in order to develop strategies that promote therapeutic adherence.
The impact of comorbidities on selexipag treatment effect in patients with pulmonary arterial hypertension: insights from the GRIPHON study
Authors: Rosenkranz Stephan , Channick Richard , Chin Kelly M. , Jenner Bartosz , Gaine Sean , Galiè Nazzareno , Ghofrani Hossein‐Ardeschir , Hoeper Marius M. , McLaughlin Vallerie V. , Du Roure Camille , Rubin Lewis J. , Sitbon Olivier , Tapson Victor , Lang Irene M. 
Published: November 2021

AbstractAimsThe number of pulmonary arterial hypertension (PAH) patients with comorbidities is increasing and there are limited data on response to PAH‐targeted therapies in this population. These post hoc analyses explored the effect of selexipag in PAH patients with cardiovascular comorbidities in the GRIPHON study.Methods and resultsRandomized patients (n = 1156) were classified using three methods: (i) by subgroups defined according to previously published comorbidity count and restrictive haemodynamic criteria: Subgroup A (<3 comorbidities and haemodynamic criteria met; n = 962) and Subgroup B (≥3 comorbidities and/or haemodynamic criteria not met; n = 144); comorbidities included body mass index ≥30 kg/m2, essential hypertension, diabetes, history of coronary artery disease; (ii) by number of comorbidities, with addition of atrial fibrillation (0, 1, 2, 3, 4, or 5); (iii) by presence of individual comorbidities. Selexipag to placebo hazard ratios (HR) and 95% confidence intervals (CI) for morbidity/mortality (primary composite endpoint) were estimated using Cox regression adjusting selexipag effect for baseline covariates. Approximately half of the patients in GRIPHON (n = 584; 50.5%) had comorbidities. Selexipag reduced the risk of a morbidity/mortality event compared with placebo in both Subgroup A (HR 0.66, 95% CI 0.53, 0.82) and Subgroup B (HR 0.50, 95% CI 0.26, 0.96), with no evidence of an inconsistent treatment effect between subgroups (interaction p = 0.432). Consistent results were observed in analyses by number and by specific type of comorbidity.ConclusionSelexipag reduces the risk of a morbidity/mortality event vs. placebo irrespective of patient comorbidity status, suggesting that comorbidity status does not influence the treatment effect of selexipag.
Total Synthesis of Entrectinib with Key Photo‐Redox Mediated Cross‐Coupling in Flow
Authors: Cordell Morgan J. , Adams Matt R. , Vincent‐Rocan Jean‐François , Riley John G. 
Published: November 2021

AbstractBy using photo‐redox catalysis in flow the newly marketed drug entrectinib (referred to by the brand name Rozlytrek) was synthesized in 6 linear steps from readily available building blocks under mild conditions. Evaluation of multiple intermediates for their use in the critical C−N amination step in flow led to the finding that more electron deficient aryl‐halides achieve higher conversion to the desired product. Data supports that more electron rich aryl‐halides undergo a significant amount of hydro‐dehalogenation compared to the productive C−N bond formation. Through evaluating various entry points into the synthesis of entrectinib, shorter routes were identified albeit in low yields. The modularity of this route will allow chemists to rapidly synthesize a diverse library of compounds through this route. Via different synthetic intermediates, a scale‐up route was discovered for the synthesis of entrectinib using photo‐redox in flow in less steps than previously reported, highlighting the utility of flow chemistry in the pharmaceutical industry.
Ferrocene Decorated N‐doped Carbon Modified Electrode with Enhanced Electrocatalytic Activity towards Non‐enzymatic Glucose Detection
Authors: Mathi Selvam , Karthikeyan Venkatraman , Jayabharathi Jayaraman 
Published: November 2021

AbstractThe nitrogen doped carbon (NDCN) have been synthesized by flame synthetic method to prepare ferrocene decorated NDCN. The hydrolysis product (FC‐SH) of ferrocene benzyne derivative (FC‐SAc) was immobilized onto NDCN modified GCE and used for glucose detection with high sensitivity. Cyclic voltammetric analysis reveal that FC‐S‐NDCN/GCE exhibit excellent activity for glucose oxidation when compared to FC/GCE. The FC‐S‐NDCN/GCE with wide linear responses range from 0.001 to 0.01 mM with the regression co‐efficient of 0.998. The FC‐S‐NDCN/GCE show low detection limit (LOD) of 0.08 μM and exhibit sensitivity of 1580 μA mM−1 cm−2. The FC‐S‐NDCN glucose sensor exhibit wide linear range, high sensitivity and lower detection limit on determination of glucose.
Response of Crustacean Zooplankton and Benthic Macroinvertebrate Communities to Selenium Additions in a Boreal Lake
Authors: Graves Stephanie D. , Liber Karsten , Palace Vince , Hecker Markus , Janz David M. 
Published: November 2021

Abstract
Selenium (Se) is a contaminant of concern in Canada mainly due to its teratogenic effects on fish and birds. However, few studies have assessed the effects of Se on invertebrates in a field setting. The objective of this experiment was to assess potential community-level impacts of Se additions on zooplankton and benthic macroinvertebrates in a boreal lake ecosystem. From June to August 2018, Se (as selenite) was added to six limnocorrals in Lake 239 at the International Institute for Sustainable Development–Experimental Lakes Area, Northwestern Ontario, Canada, to achieve mean measured aqueous concentrations of 0.4, 0.8, 1.6, 3.4, 5.6 and 7.9 µg Se/L, with three untreated limnocorrals serving as controls (background Se = 0.08–0.09 µg/L). Periphyton, phytoplankton, and invertebrates (zooplankton and benthos) were monitored for 63 days. Zooplankton community composition shifted as a function of Se exposure, with Cladocera biomass and density decreasing with increasing Se concentrations. Similarly, cumulative abundance and biomass of Heptageniidae decreased with increasing Se treatment throughout the experimental period. The present study demonstrated that Se can have impacts on aquatic invertebrates at environmentally relevant exposure levels, and that future ecological risk assessments should consider the impacts of Se on both vertebrates and invertebrates. Environ Toxicol Chem 2022;41:95–107. © 2021 SETAC
Velocity slip, chemical reaction, and suction/injection effects on two‐dimensional unsteady MHD mass transfer flow over a stretching surface in the presence of thermal radiation and viscous dissipation
Authors: Reddy Nalivela Nagi , Rao Vempati Srinivasa , Reddy Bolla Ravindra 
Published: November 2021

AbstractThe purpose of this study is to analyze the impact of velocity slip, chemical reaction, and suction/injection on two‐dimensional mass transfer effects on unsteady MHD flow over a stretching surface in the presence of thermal radiation and viscous dissipation. The governing time‐dependent nonlinear partial differential equations are transformed into nonlinear ordinary differential equations by using similarity transformations. The converted equations are solved using the numerical technique with the help of Keller‐Box method. The effect of nondimensional variables is studied and graphically illustrated on velocity, temperature, concentration, friction factor, Nusselt number, and Sherwood number. Concentration and temperature profiles are enhanced and the contrasting pattern for velocity profiles as increasing the velocity slip and magnetic parameter. The concentration profile is diminished as the Schmidt number (Sc) and chemical reaction (Cr) increase. The concentration, velocity, and temperature profiles display a reversal pattern, as the suction and unsteady parameter (A) increase. The findings of this study are very well‐acknowledged with current research.
Laboratory management for large‐scale population screening for SARS‐CoV‐2
Authors: Duan Xiuzhi , Lv Dingfeng , Wang Lin , Liu Yanchao , Zhang Shu , Liu Weiwei , Xie Jiamin , Gu Chunqiang , Li Xiaosi , Tao Zhihua , Chen Xiang , Yao Qiang 
Published: November 2021

AbstractIntroductionThe aim of this study was to investigate the improvements in laboratory testing procedures and the quality and safety management for large‐scale population screening for severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2).MethodsBecause of epidemic prevention and control needs in Hebei Province, on January 7, 2021, the Health Commission of Zhejiang Province sent a medical team to Hebei Province, to carry out SARS‐CoV‐2 nucleic acid testing. Screening for the SARS‐CoV‐2 nucleic acid test was performed using reverse‐transcription polymerase chain reaction (RT‐PCR). Practical tests and repeated process optimization were adopted to explore the optimal solution for improving laboratory testing procedures and the quality of and safety management for large‐scale population screening for SARS‐CoV‐2.ResultsThe Zhejiang medical team completed 250,000 pooled SARS‐CoV‐2 nucleic acid samples in 24 days in Shijiazhuang, with a peak daily testing capacity of 40,246 samples testing. There were no false‐negative or false‐positive results, and no laboratory personnel was infected with SARS‐CoV‐2. Significant achievements have been made in SARS‐CoV‐2 prevention and control.ConclusionsThis report summarizes the effort of the medical team regarding their management of the quality and safety of laboratory tests and proposes corresponding empirical recommendations to provide a reference for future large‐scale population screening SARS‐CoV‐2.
Misidentified biomedical resources: Journal guidelines are not a quick fix
Authors: Hepkema Wytske M. , Horbach Serge P. J. M. , Hoek Joyce M. , Halffman Willem 
Published: November 2021

AbstractBiomedical researchers routinely use a variety of biological models and resources, such as cultured cell lines, antibodies and laboratory animals. Unfortunately, these resources are not flawless: cell lines can be misidentified; for antibodies, problems with specificity, lot‐to‐lot consistency and sensitivity are common; and the reliability of animal models is questioned due to poor translation of animal studies to human clinical trials. In some cases, these problems can render the results of a study meaningless. As a response, some journals have implemented guidelines regarding the use and reporting of cell lines, antibodies and laboratory animals. In our study we use a portfolio of existing and newly created datasets to investigate identification and authentication information of cell lines, antibodies and organisms before and after guideline introduction, compared to journals without guidelines. We observed a general improvement of reporting quality over time, which the implementation of guidelines accelerated only in some cases. We therefore conclude that the effectiveness of journal guidelines is likely to be context dependent, affected by factors such as implementation conditions, research community support and monitoring and resource availability. Hence, journal reporting guidelines in themselves are not a quick fix to repair shortcomings in biomedical resource documentation, even though they can be part of the solution.
Situational judgment tests: An introduction for clinician educators
Authors: Reed Brent N. , Smith Kathryn J. , Robinson Jennifer D. , Haines Stuart T. , Farland Michelle Z. 
Published: November 2021

AbstractAlthough numerous tools exist to assess the clinical knowledge and skills of learners as they progress throughout the health professions curriculum, the measurement of professional attitudes, and behaviors (eg, empathy, integrity, teamwork) remains a challenge for educators. Situational judgment tests (SJTs) are a methodology for assessing how an individual's underlying knowledge, skills, traits, and other attributes are expressed when making decisions about job‐related scenarios. Studies have shown that SJTs can be a valuable predictor of future job performance among health professionals and recent research suggests that they may also be useful for the development of professional attitudes and behaviors. The primary advantage of SJTs is that they permit an assessment of these complex constructs among large groups of test‐takers, making them an appealing alternative or supplement to more resource‐intensive methods, such as situational interviews or objective structured clinical examinations. However, SJT development is a complex process and requires a set of knowledge and skills that may be unfamiliar to many clinician educators (eg, job analysis, assessments of validity, and reliability). The purpose of this review is to provide readers with an introduction to SJTs, including an overview of research to support their use, considerations regarding their content and development, and implications for practice and education.
Strategies for induction of HIV‐1 envelope‐reactive broadly neutralizing antibodies
Authors: Williams Wilton B. , Wiehe Kevin , Saunders Kevin O. , Haynes Barton F. 
Published: November 2021

AbstractIntroductionA primary focus of HIV‐1 vaccine development is the activation of B cell receptors for naïve or precursor broadly neutralizing antibodies (bnAbs), followed by expansion and maturation of bnAb B cell lineage intermediates leading to highly affinity‐matured bnAbs. HIV‐1 envelope (Env) encodes epitopes for bnAbs of different specificities. Design of immunogens to induce bnAb precursors of different specificities and mature them into bnAb status is a goal for HIV‐1 vaccine development. We review vaccine strategies for bnAb lineages development and highlight the immunological barriers that these strategies must overcome to generate bnAbs.MethodsWe provide perspectives based on published research articles and reviews.DiscussionThe recent Antibody Mediated Protection (AMP) trial that tested the protective efficacy of one HIV‐1 Env bnAb specificity demonstrated that relatively high levels of long‐lasting serum titers of multiple specificities of bnAbs will be required for protection from HIV‐1 transmission. Current vaccine efforts for induction of bnAb lineages are focused on immunogens designed to expand naïve HIV‐1 bnAb precursor B cells following the recent success of vaccine‐induction of bnAb precursor B cells in macaques and humans. BnAb precursor B cells serve as templates for priming‐immunogen design. However, design of boosting immunogens for bnAb maturation requires knowledge of the optimal immunogen design and immunological environment for bnAb B cell lineage affinity maturation. BnAb lineages acquire rare genetic changes as mutations during B cell maturation. Moreover, the immunological environment that supports bnAb development during HIV‐1 infection is perturbed with an altered B cell repertoire and dysfunctional immunoregulatory controls, suggesting that in normal settings, bnAb development will be disfavoured. Thus, strategies for vaccine induction of bnAbs must circumvent immunological barriers for bnAb development that normally constrain bnAb B cell affinity maturation.ConclusionsA fully protective HIV‐1 vaccine needs to induce durable high titers of bnAbs that can be generated by a sequential set of Env immunogens for expansion and maturation of bnAb B cell lineages in a permitted immunological environment. Moreover, multiple specificities of bnAbs will be required to be sufficiently broad to prevent the escape of HIV‐1 strains during transmission.