bluuebunny/crossref_metadata_2025_split huggingface dataset:
Health monitoring of students with autism spectrum disorder: Implementation integrity and social validation of a computer‐assisted bowel movement tracking system
Authors: Bird Frank , Shlesinger Andrew , Gopinathan Haritha , Duhanyan Kimberly , Buckley Jessica , Luiselli James K. 
Published: February 2022

AbstractMany children with autism spectrum disorder (ASD) have gastrointestinal (GI) problems and associated fecal incontinence, constipation, and diarrhea. We describe the design and operation of a computer‐assisted health monitoring system for tracking and recording bowel movements at a residential school. Implementation integrity of the system by care providers was 100% for six targeted students with ASD and GI difficulties. The utility, objectives, and effectiveness of the system were rated positively by supervisory professionals, parents, and GI physicians. Our discussion focuses on the advantages of computer‐assisted data recording and instrumentation technology for documenting health measures such as bowel movement frequency and quality in children with ASD.
Effect of virtual reality guidance system on the overhaul teaching
Authors: Yang Jianwei , Liu Fu , Zhu Aihua , Wang Jinhai , Yao Dechen , Wang Xiaohui , Kou Ziming 
Published: February 2022

AbstractStudents' learning motivation and gains in the professional training are essential criteria for evaluating the vocational teaching level. This study designed the virtual reality guidance (VRG) system to teach the skills of urban railway vehicle overhaul. The VRG system aims to improve students' enthusiasm and gains from learning. The system has two modules, teaching and experiment modules, respectively. The teaching module added the independent design mode and evaluation mode to guide students to participate in and enjoy the teaching system actively. The experiment randomly divided 80 urban railway vehicle engineering students into the experimental and control groups. Participants underwent the entire pretest, teaching, and posttest process. The results show that the VRG system endows students with more effective operational skills learning rather than traditional teaching methods. Also, the novel system can guide students to discover their professional advantages and enhance their enthusiasm for professional learning.
Breast‐conserving therapy is associated with better survival than mastectomy in Early‐stage breast cancer: A propensity score analysis
Authors: Ji Jiali , Yuan Shushu , He Jiawei , Liu Hong , Yang Lei , He Xuexin 
Published: February 2022

AbstractBackgroundRecent retrospective studies have reported that breast‐conserving therapy (BCT) led to improved overall survival (OS) than mastectomy in some populations. We aimed to compare the efficacy of BCT and mastectomy using the SEER database.Materials and methodsBetween 2010 and 2015, 99,790 eligible patients were identified. We included early‐stage breast cancer patients with 5cm or smaller tumors and three or fewer positive lymph nodes in our study. We compared the OS and breast cancer‐specific survival (BCSS) results among patients with BCT and those with mastectomy. Kaplan‐Meier plots, Cox proportional hazard regressions, competing risk analysis, and multivariate regressions were used to evaluate the outcomes. Propensity‐score matching was used to assemble a cohort of patients with similar baseline characteristics.ResultsIn our study, 77,452 (77.6%) patients underwent BCT and 22,338 (22.4%) underwent mastectomy. The 5‐year OS rate was 94.7% in the BCT group and 87.6% in the mastectomy group, and the 5‐year BCSS was 97.2% in the BCT and 94.3% in the mastectomy group. Multivariate analysis in the matched cohort showed that women underwent mastectomy was associated with worse OS (Hazard ratio (HR) = 1.79; 95% confidence intervals (CIs) = 1.59–2.02, p < 0.001) and BCSS (HR = 1.88; 95% CIs = 1.61–2.18, p < 0.001) results compared with those underwent BCT. Patients with different subtypes and age group (>50 years old; ≤50 years old) received BCT showed significantly better OS and BCSS results than those received mastectomy. The effect of surgery choice on survival yielded similar results either for all patients or matched cohorts.ConclusionsOur study showed that BCT was associated with improved survival compared with mastectomy in early‐stage breast cancer patients. It seems advisable to encourage patients to receive BCT rather than mastectomy in early‐stage patients when feasible and appropriate.
Isolation of Thioinosine and Butenolides from a Terrestrial Actinomycetes sp. GSCW‐51 and Their in Silico Studies for Potential against SARS‐CoV‐2
Authors: Nazir Mamona , Tousif Muhammad Imran , Khalid Muhammad , Parveen Shehla , Akhter Naseem , Farooq Nosheen , Khan Muhammad Usman , Mehmood Rana Farhat , Mahomoodally Mohamad Fawzi , Muhammad Shabbir , Alarfaji Saleh S. 
Published: February 2022

AbstractIn our continuous screening for bioactive microbial natural products, the culture extracts of a terrestrial Actinomycetes sp. GSCW‐51 yielded two new metabolites, i. e., 5‐hydroxymethyl‐3‐(1‐hydroxy‐6‐methyl‐7‐oxooctyl)dihydrofuran‐2(3H)‐one (1), 5‐hydroxymethyl‐3‐(1,7‐dihydroxy‐6‐methyloctyl)dihydrofuran‐2(3H)‐one (2), and two known compounds; 5′‐methylthioinosine (3), and 5′‐methylthioinosine sulfoxide (4), which are isolated first time from any natural source, along with four known compounds (5–8). The structures of the new compounds were deduced by HR‐ESI‐MS, 1D and 2D NMR data, and in comparison with related compounds from the literature. Additionally, owing to the current COVID‐19 pandemic situation, we also computationally explored the therapeutic potential of our isolated compounds against SARS‐CoV‐2. Compound 4 showed the best binding energies of −6.2 and −6.6 kcal/mol for Mpro and spike proteins, respectively. The intermolecular interactions were also studied using 2‐D and 3‐D imagery, which also supported the binding energies as well as put several insights under the spotlight. Furthermore, Lipinski's rule of 5 was used to predict the drug likeness of compounds 1–4, which indicated all compounds obey Lipinski's rule of 5. The study of bioavailability radars of the compounds 1–4 also confirmed their drug likeness properties where all the five crucial drug likeness parameters are in color area, which is safe to be used as drugs. Our isolation and computational findings highly encourage the scientific community to do further in vitro and in vivo studies of compounds 1–4.
Neonatal nevus lipomatosus cutaneous superficialis managed by surgical resection alone
Authors: Prosun Roy Susmit , Ting Caleb , Dill Tony , Roy Gerard 
Published: February 2022

AbstractNaevus Lipomatosus Cutaneous Superficialis(NLCS) is very rare in neonates and presents as part of broad spectrum of skin lesions. Clinical appearance alone can be deceptive. Prompt radiologic evaluation and surgical excision with visible clear margins should be first line of management followed by pathological confirmation to rule out any other sinister pathology.
An Unprecedented FeMo6@Ce‐Uio‐66 Nanocomposite with Cascade Enzyme‐Mimic Activity as Colorimetric Sensing Platform
Authors: Tong Zhibo , Sha Jingquan , Liu Dingzhou , Xu Mingqi 
Published: February 2022

AbstractIntroducing the idea of integrated design and cascade activity into nanozyme, the novel integrated nanozymes (INAzymes), FeMo6@Ce‐Uio‐66 (FC‐66(n)), were designed and synthesized by encapsulating iron‐based polyoxometalates (FeMo6) into the ceria‐based metal–organic framework (Ce‐Uio‐66). Due to the oxygen‐driven reversible Ce3+/Ce4+ couple sites, the “Fenton‐like” effect by iron centers, the “nanoscale proximity” effects by nanocages, and their synergistic effects, FC‐66(n) as INAzymes exhibit elegant cascade enzyme‐mimic activities (oxidase‐, peroxidase‐, and Fenton‐like activity), which realizes INAzyme activities based on polyoxometalates based metal–organic framework (POMOFs). By employing dopamine (DA) detection as a model reaction, a high‐efficient fluorescent “turning‐on‐enhanced” platform under near neutral conditions was established.
Unexpected Acid‐Triggered Formation of Reversibly Photoswitchable Stenhouse Salts from Donor‐Acceptor Stenhouse Adducts
Authors: Shpinov Yuriy , Schlichter Antoine , Pelupessy Philippe , Le Saux Thomas , Jullien Ludovic , Adelizzi Beatrice 
Published: February 2022

AbstractDonor‐acceptor Stenhouse adducts (DASAs) are reversibly photoswitchable dyes, which are able to interconvert between a red/NIR absorbing triene‐like state and a colorless cyclic state. Although optically attractive for multiple applications, their low solubility and lack of photoswitching in water impede their use in aqueous environments. We developed water‐soluble DASAs based on indoline as donor and methyl, or trifluoromethyl, pyrazolone‐based acceptors. In acetonitrile, photophysical analysis and photochemical studies, accounted with a three‐state kinetic model, confirmed the reversible photoswitching mechanism previously proposed. In water, the colorless cyclic state is a thermodynamic sink at neutral pH values. In contrast, in acidic conditions, we observed a fast scrambling of DASAs’ end‐group resulting in the in situ formation of Stenhouse salts (StS), which are in turn capable of reversible photoswitching. We believe that this unexpected result is of interest not only for the future design of DASAs with improved stability, but also for further development and applications of StS as photoswitchable probes.
Recent Developments in Porous Silicon Nanovectors with Various Imaging Modalities in the Framework of Theranostics
Authors: Qian Jing , Wen Huang , Tamarov Konstantin , Xu Wujun , Lehto Vesa‐Pekka 
Published: February 2022

AbstractThe number of in vitro, ex vivo, and in vivo studies on porous silicon (PSi) nanoparticles for biomedical applications has increased extensively over the last decade. The focus of the reports has been on the carrier properties of PSi concerning the therapeutic aspect due to several beneficial nanovector characteristics including high payload capacity, biocompatibility, and versatile surface chemistry. Recently, increasing attention has been paid to the diagnostic aspects of PSi, which is typically attributed to the biotraceability of the nanovector. Also, PSi has been studied as a contrast agent. When both these aspects, therapy and diagnosis, are integrated into one nanovector, we can discuss a real nanotheranostics approach. Herein, we review the recent progress developing PSi for various imaging modalities, specifically focusing on optical imaging, magnetic resonance imaging, and nuclear medicine imaging. Furthermore, we summarized the knowledge gaps that must be covered before applying PSi in clinical imaging, highlighting future research trends.
The role of cytokeratin 7/20 coordination revisited—Machine learning identifies improved interpretative algorithms for cell block immunohistochemistry in aspirates of metastatic carcinoma
Authors: Chan Ronald Cheong Kin , Lee Angus Lang Sun , To Curtis Chun Kit , Cheung Tommy Lok Him , Ho Ching Ting , Choi Joseph Sen Hei , Li Joshua Jing Xi 
Published: February 2022

BACKGROUNDFine‐needle aspiration (FNA) is a robust diagnostic technique often used for tissue diagnosis of metastatic carcinoma. For interpretation of FNA cytology, cell block immunohistochemistry (IHC) and clinicocytologic parameters are indispensable. In this review of a large cohort, the current report: 1) describes clinicocytologic parameters and immunoprofiles of aspirates of metastatic carcinoma, 2) compares the predictivity of immunostains and classical approaches for IHC interpretation, and 3) describes machine learning‐based algorithms for IHC interpretation.METHODSAspirates of metastatic carcinoma that had IHC performed were retrieved. Clinicocytologic parameters, IHC results, the corresponding primary site, and histologic diagnoses were recorded. By using machine learning, decision trees for predicting the primary site were generated, their performance was compared with 2 human‐designed algorithms, and the primary site was suggested in the historical diagnosis.RESULTSIn total, 1145 cases were identified. The 6 most populated groups were selected for machine learning and predictive analysis. With IHC input, the decision tree achieved a concordance rate of 94.5% and overall accuracy of 83.6%, which improved to 95.3% and 85.8%, respectively, when clinical data were incorporated and exceeded the human‐designed IHC algorithms (P< .001). The historical diagnosis was more accurate unless indeterminate diagnoses were regarded as discordant (P< .001). CDX2 and TTF‐1 immunostains had the highest weight in model accuracy, occupied the root of the decision trees, scored higher as features of importance, and outperformed the predictive power of cytokeratins 7 and 20.CONCLUSIONSCytokeratins 7 and 20 may be superseded in immunostaining panels, including organ‐specific immunostains such as CDX2 and TTF‐1. Machine learning generates algorithms that surpasses human‐designed algorithms but is inferior to expert assessment integrating clinical and cytologic assessment.;
From Ligand‐ to Metal‐centered Reactivity: Metal Substitution Effect in Thiosemicarbazone‐based Complexes for H2 Production
Authors: Barrozo Alexandre , Orio Maylis 
Published: February 2022

AbstractThe quest to develop and optimize catalysts for H2 production requires a thorough understanding in the possible catalytic mechanisms involved. Transition metals are very often the centers of reactivity in the catalysis, although this can change in the presence of a redox‐active ligand. Investigating the differences in catalysis when considering ligand‐ and metal‐centered reactivity is important to find the most optimal mechanisms for hydrogen evolution reaction. Here, we investigated this change of reactivity in two versions of a thiosemicarbazone‐based complex, using Co and Ni metal centers. While the Ni version has a ligand‐centered reactivity, Co switches it toward a metal‐centered one. Comparison between the mechanisms show differences in rate‐limiting steps, and shows the importance of identifying those steps in order to optimize the system for hydrogen production.
Evaluating board diversity and its importance in the environmental and social performance of organizations
Authors: Islam Ranjita , French Erica , Ali Muhammad 
Published: February 2022

AbstractPast literature documenting the relationship between board diversity and organizational sustainability performance resulted in inconclusive findings. The study draws on the resource dependency theory to investigatehowboard gender diversity and age diversity influence the corporate social responsibility (CSR) performance of organizations. The qualitative data were collected through in‐depth interviews of 19 board directors from 14 organizations operating in Australia. Data were analyzed following the six‐phase process of thematic analysis. The findings indicate that board gender and age diversity enhance CSR investment and approach decisions, and, in turn, they improve the CSR performance of organizations. The effectiveness of these relationships depends on the number of women directors, organizational culture, industry regulations, and organizational life‐cycle stage. This study provides insights into the “black box” of boardroom dynamics. The findings suggest that efforts need to be made at the organizational and policy levels to increase board gender and age diversity for a sustainable performance.
Rapid Electrochemical Activation of V2O3@C Cathode for High‐Performance Zinc‐Ion Batteries in Water‐in‐Salt Electrolyte
Authors: Zheng Jun , Zhan Chenyang , Zhang Kai , Fu Wenwu , Nie Qiaojun , Zhang Ming , Shen Zhongrong 
Published: February 2022

AbstractAqueous Zn‐ion batteries (ZIBs), with the advantages of low cost, high safety, and high capacity, have great potential for application in grid energy storage and wearable flexible devices. However, their commercial application is still restricted by their inferior long‐term cycling stability, Zn dendrite formation, and the decomposition of aqueous electrolyte. In this study, a Zn|Zn(CF3SO3)2+LiTFSI|V2O3@C cell is constructed to address the above issues. The V2O3@C electrode can be fully oxidized into amorphous V2O5@C simultaneously with Zn2+ and H2O co‐insertion. The cell delivers a high specific capacity of more than 240 mAh g−1 at 3 A g−1, with extraordinary coulombic efficiency and capacity retention. The excellent electrochemical performances are attributed to synergistic effects between the V2O3@C electrode and the water‐in‐salt electrolyte with enhanced stability and improved interface reaction kinetics. Systematic improvements of this architecture indicate much promise for application.
Random Copolymerization Strategy for Host Polymer Donor PM6 Enables Improved Efficiency Both in Binary and Ternary Organic Solar Cells
Authors: Yang Na , Cheng Yujun , Kim Seoyoung , Huang Bin , Liu Zuoji , Deng Jiawei , Wang Jing , Yang Changduk , Wu Feiyan , Chen Lie 
Published: February 2022

AbstractAlthough breakthroughs have been made in organic solar cells (OSCs) in recent years, the power conversion efficiency (PCE) of OSCs still lags behind inorganic/perovskite solar cells. In this work, two terpolymers were synthesized by introducing the thieno[3,4‐c]pyrrole‐4,6‐(5H)‐dione (TPD) block into the host polymer donor PM6. Owing to the lower highest occupied molecular orbital energy level, wider light absorption, optimal molecular packing, and more desirable aggregation morphology by addition of the TPD, the PM6‐TPD‐5 % : Y6‐based device displayed an improved PCE of 16.3 % with an enhanced open‐circuit voltage (VOC) of 0.860 V, relative to that of PM6‐TPD‐10 % : Y6 (PCE=14.8 %) and PM6 : Y6‐based device (PCE=15.6 %). Interestingly, the VOC did not always increase in proportion to the third component. Besides, ternary OSCs based on PM6 : PM6‐TPD‐5 % : Y6 achieved a superior PCE of 17.1 %. This work demonstrated that random copolymerization is a feasible and effective strategy to further increase device performance, and the two polymers that possess similar structure and absorption in ternary devices can also obtain impressive efficiency.
A Mixed‐Addenda Mo/W Organofunctionalised Hybrid Polyoxometalate
Authors: Amin Sharad S. , Cameron Jamie M. , Winslow Max , Davies E. Stephen , Argent Stephen P. , Robinson David , Newton Graham N. 
Published: February 2022

AbstractA mixed‐addenda W/Mo hybrid polyoxometalate cluster – K6[P2W15Mo2O61(POC6H5)2] (1) was synthesised from the condensation of K10[P2W15Mo2O61] and PO3C6H7 under acidic conditions. Single‐crystal X‐ray diffraction confirmed the structure of the hybrid cluster and the presence of two Mo centres in the cap of the lacunary cluster. The electronic effects of metal substitution were studied by cyclic voltammetry, spectroelectrochemistry and electron paramagnetic resonance spectroscopy and supported by density functional theory calculations. Comparing 1 to its tungsten‐only analogue K6[P2W17O61(POC6H5)2] (2), a more positive potential for the first reduction process was induced by the substitution of W for Mo, consistent with a significant lowering of the cluster LUMO energy.
Synthesis of Fatty Acid Bioconjugates and Related Derivatives
Authors: Crauste Céline , Galano Jean‐Marie , Guy Alexandre , Lehoux Jordan , Durand Thierry , Balas Laurence 
Published: February 2022

AbstractSeveral families of naturally occurring fatty acid conjugates are presented. Chemical and chemoenzymatic syntheses are exemplified for fatty acid conjugates with (poly)phenols, glycerol, hydroxyfatty acids, aminoacids and small peptides.
Astrocytic modulation of central pattern generating motor circuits
Authors: Turk Ariana Z. , Bishop Mitchell , Adeck Afuh , SheikhBahaei Shahriar 
Published: February 2022

AbstractCentral pattern generators (CPGs) generate the rhythmic and coordinated neural features necessary for the proper conduction of complex behaviors. In particular, CPGs are crucial for complex motor behaviors such as locomotion, mastication, respiration, and vocal production. While the importance of these networks in modulating behavior is evident, the mechanisms driving these CPGs are still not fully understood. On the other hand, accumulating evidence suggests that astrocytes have a significant role in regulating the function of some of these CPGs. Here, we review the location, function, and role of astrocytes in locomotion, respiration, and mastication CPGs and propose that, similarly, astrocytes may also play a significant role in the vocalization CPG.
The acute toxicity of pesticide mixtures to honeybees
Authors: Belden Jason B. 
Published: February 2022

Abstract
Honeybees (Apis mellifera) frequently live in complex environments where exposure to mixtures of pesticides is possible. Although several studies have expressed concern regarding the combined effects of pesticide mixtures, other studies did not find increased toxicity. Thus, the primary objective of this study was to identify peer-reviewed literature measuring the toxicity of pesticide mixtures to honeybees and determine how frequently synergistic interactions occur. Many experiments (258) were identified that met the criteria for inclusion. When considering all experiments, 34% of experiments had model deviation ratios (MDR; expected toxicity/observed toxicity) greater than 2, suggesting greater-than-additive toxicity. Twelve percent of experiments had MDR values greater than 5, with several studies exceeding 100. However, most experiments that had higher MDRs included azole fungicides or acaricides as a component of the mixture. After removal of these groups, only 8% of experiments exceeded an MDR of 2, and no experiments exceeded 5. Moreover, the influence of the azole fungicides was dose dependent. If only experiments that used azole exposure at environmentally relevant concentrations were considered, azole fungicides had limited impact on neonicotinoid insecticides. However, pyrethroid insecticides still had greater than expected toxicity with 80% of experiments having MDR values greater than 2. Acaricides also had greater than expected incidence of synergy with approximately 30% of studies reporting MDR values greater than 2. It should be noted that even the azole studies considered environmentally relevant frequently used maximum exposure rates and worst-case exposure scenarios. The primary finding is that synergy is uncommon except for a few cases where known synergists (azole fungicides) and pesticides with variable metabolism potential, such as some pyrethroids, are in combination. Future work is still needed to refine the relevance of azole fungicides at commonly occurring environmental concentrations. Integr Environ Assess Manag 2022;18:1694–1704. © 2022 SETAC
KEY POINTS
When evaluating all pesticide-mixture studies in the literature, evidence of synergy is common for honeybees. The majority of studies where synergy was found to occur involved azole fungicides, known synergists, in combination with insecticides with variable metabolism potential, such as some pyrethroids. Environmental relevance of applied concentrations should be considered when evaluating the results of pesticide mixtures studies. Synergy involving neonicotinoid insecticides is uncommon when only considering environmentally relevant concentrations of azole fungicide.