bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhancing the Performance of Bi2S3 in Electrocatalytic and Supercapacitor Applications by Controlling Lattice Strain
Authors: Zhang Hao , Diao Jiefeng , Ouyang Mengzheng , Yadegari Hossein , Mao Mingxuan , Wang Jiaao , Henkelman Graeme , Xie Fang , Riley David Jason 
Published: September 2022

AbstractLattice‐strained Bi2S3 with 3D hierarchical structures are prepared through a top‐down route by a topotactic transformation. High‐resolution transmission electron microscopy and X‐ray diffraction (XRD) confirm the lattice spacing is expanded by prolonged sulfuration. Performance studies demonstrate that Bi2S3 with the largest lattice expansion (Bi2S3‐9.7%, where 9.7% represents the lattice expansion) exhibits a greater electrocatalytic hydrogen evolution reaction (HER) activity compared to Bi2S3 and Bi2S3‐3.2%. Density functional theory calculations reveal the expansion of the lattice spacing reduces the bandwidth and upshifts the band center of the Bi 3d orbits, facilitating electron exchange with the S 2p orbits. The resultant intrinsic electronic configuration exhibits favorable H* adsorption kinetics and a reduced energy barrier for water dissociation in hydrogen evolution. Operando Raman and post‐mortem characterizations using XRD and X‐ray photoelectron spectroscopy reveal the generation of pseudo‐amorphous Bi at the edge of Bi2S3 nanorods of the sample with lattice strain during HER, yielding Bi2S3‐9.7%‐A. It is worth noting when Bi2S3‐9.7%‐A is assembled as a positive electrode in an asymmetric supercapacitor, its performance is greatly superior to that of the same device formed using pristine Bi2S3‐9.7%. The as‐prepared Bi2S3‐9.7%‐A//activated carbon asymmetric supercapacitor achieves a high specific capacitance of 307.4 F g−1 at 1 A g−1, exhibiting high retention of 84.1% after 10 000 cycles.
Catalytic Chemodivergent Annulations ofo‐Aminotrifluoroacetophenone and Allenyl Imide through β’‐C−H Functionalization or β/γ‐Bisfunctionalization
Authors: Wang Yu‐Hao , Jyoti Kalita Subarna , Li Wang‐Lai , Xiang Bing‐Sen , Chen Min , Huang Yi‐Yong 
Published: September 2022

AbstractLewis base and Brønsted base controlled chemodivergent annulations of α‐methyl substituted allenyl imide ando‐aminotrifluoroacetophenones are realized to afford highly valuable furo[3,2‐b]indol‐2‐ones and dihydroquinolines bearing a CF3‐substituted quaternary stereogenic center. The possible reaction mechanisms are proposed through deuterium labelling experiments. This work demonstrates the unprecedented dual reactivities of α‐methyl substituted allenyl imide with electrophilic−nucleophilic compounds in annulation reactions, and features chemodivergence in transforming allenyl imide through β’‐C−H functionalization via phosphine catalysis and β/γ‐bisfunctionalization via Brønsted base catalysis.magnified image
An Ultralow Power LixTiO2‐Based Synaptic Transistor for Scalable Neuromorphic Computing
Authors: Nguyen Ngoc‐Anh , Schneegans Olivier , Salot Raphaël , Lamy Yann , Giapintzakis John , Mai Van Huy , Oukassi Sami 
Published: September 2022

AbstractArtificial synapses based on electrochemical synaptic transistors (SynTs) have attracted tremendous attention toward massive parallel computing operations. However, most SynTs still suffer from downscaling limitations and high energy consumption. To overcome such drawbacks, a complementary metal–oxide–semiconductor (CMOS) back‐end‐of‐line compatible solid‐state SynT is presented, which includes an ultrathin (10 nm thick) quasiamorphous LixTiO2 channel. A nonvolatile conductance modulation (<75 nS) is achieved through reversible lithium intercalation into the channel, and synaptic functions, such as long‐term potentiation/depression involve ultralow switching energy of 2 fJ µm−2. Moreover, this SynT shows excellent endurance (>105 weight updates) and recognition accuracy (>95% on the MNIST data test using crossbar simulations). Furthermore, a comprehensive electrochemical study allows deeper insight into the specific pseudocapacitive mechanism at the origin of conductance modulation. These results underline the high potential of LixTiO2‐based SynTs for energy‐efficient neuromorphic applications.
A General Strategy for the Asymmetric Preparation of α‐Stereogenic Allyl Silanes, Germanes, and Boronate Esters via Dual Copper Hydride‐ and Palladium‐Catalysis
Authors: Levi Knippel James , Ni Anton Z. , Schuppe Alexander W. , Buchwald Stephen L. 
Published: September 2022

Abstractα‐Stereogenic allyl metalloids are versatile synthetic intermediates which can undergo various stereocontrolled transformations. Most existing methods to prepare α‐stereogenic allyl metalloids involve multi‐step sequences that curtail the number of compatible substrates and are limited to the synthesis of boronates. Here, we report a general method for the enantioselective preparation of α‐stereogenic allyl metalloids utilizing dual CuH‐ and Pd‐catalysis. This approach leverages a stereoretentive Cu‐to‐Pd transmetalation of an in situ generated alkyl copper species to allow access to enantioenriched allyl silanes, germanes, and boronate esters with broad functional group compatibility.
Engineering of Reversible NIR‐II Redox‐Responsive Fluorescent Probes for Imaging of Inflammation In Vivo
Authors: He Long , He Lin‐Hui , Xu Shuai , Ren Tian‐Bing , Zhang Xing‐Xing , Qin Zuo‐Jia , Zhang Xiao‐Bing , Yuan Lin 
Published: September 2022

AbstractThe second near‐infrared (NIR‐II) fluorescent imaging shows great potential for deep tissue analysis at high resolution in living body owing to low background autofluorescence and photon scattering. However, reversible monitoring of redox homeostasis using NIR‐II fluorescent imaging remains a challenge due to the lack of appropriate probes. In this study, a series of stable and multifunctional NIR‐II dyes (NIR‐II Cy3s) were constructed based on trimethine skeleton. Significantly, introducing the 1,4‐diethyl‐decahydroquinoxaline group to theNIR‐II Cy3snot only effectively increased the wavelength, but also served as an effective response site for HClO, which can be restored by reactive sulfur species (RSS). Based on this,NIR‐II Cy3swere used for reversible monitoring of HClO/RSS‐mediated redox processes in the pathophysiology environment. Finally,NIR‐II Cy3‐988was successfully utilized for assessment of the redox environments and drug treatment effects in acute inflammation model.
A design tool for core‐back timing in foam injection molding
Authors: Taki Kentaro , Menale Marco , Pisante Giovanni , Di Maio Ernesto 
Published: September 2022

AbstractA visual observation experiment mimicking the pressure history in foam injection molding was utilized to infer the bubbles formation in core‐back operations. The different stages of bubble nucleation, dissolution, and re‐nucleation, corresponding to injection, packing, and core‐back opening, respectively, were studied. A reduction of the number density of re‐nucleated bubbles with respect to first nucleation was observed. In order to understand this observation, the evolution of the blowing agent concentration around the dissolved bubbles was analyzed. A characteristic time was introduced, required to achieve blowing agent uniformity or, equivalently, required to cancel the mass transport‐mediated memory of the system. A numerical model, assuming Fickian behavior, was derived and validated with the experimental results. The study allowed for the development of a predictive tool to design core‐back operations in foam injection molding.
Malic acid production by Aspergillus oryzae: the immobilized fungal fermentation route
Authors: Brink Hendrik G. , Geyer‐Johnson Monique , Swart Reuben M. , Nicol Willie 
Published: September 2022

AbstractIt has been proposed that the microbial bioproduction of chemical precursors could reduce societal overreliance on the petrochemical industry. However, economic implementation remains elusive due to a lack of understanding of the mechanisms involved. The current study evaluated malic acid production using a novel immobilized Aspergillus oryzae fungal bed bioreactor. The experimental procedures involved two different nitrogen sources (urea and (NH4)2SO4), two‐phase growth/production and simultaneous single‐step growth/production runs, the presence and absence of added CO2, the presence and absence of pH control, and the use of glucose and dl‐malate as the carbon sources. The experimental malic acid titers were remarkably poor (between 1.7 and 3.3 g.L−1) in comparison with CaCO3 buffered malic acid titers from literature (concentrations in excess of 100 g.L−1 have been reported reported). In contrast, citric acid was observed to be the main metabolite. The dl‐malate carbon source was consumed with concomitant growth, indicating A. oryzae′s ability to utilize both d and l enantiomers of malic acid. Detailed metabolic flux analyses predicted partial consumption of urea during growth, while (NH4)2SO4 was fully utilized. During the urea runs, significant amounts of glycogen were accumulated in the biomass – which were utilized as substrate during the production run. Nitrogen limitations induced significant lipid production, corresponding to citric acid accumulation in the media; the mechanism for fungal lipid biosynthesis involves citric acid excretion at the expense of malic acid. These results indicate a possible calcareous trigger for malic acid production as opposed to the traditionally accepted nitrogen starvation mechanism – nitrogen starvation resulted in lipid accumulation with corresponding malate loss. © 2022 The Authors. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.
Gene essentiality and variability: What is the link? A within‐ and between‐species perspective
Authors: Dubois‐Mignon Tania , Monget Philippe 
Published: September 2022

AbstractA gene is considered essential when its loss of function results in a deleterious phenotype, hugely reducing the organism's viability or fitness. However, the link between the essentiality of a gene and its degree of polymorphism is unclear. In this review, we show that there is a place for a certain degree of variability, even for essential genes. We first study the role of infectious diseases in the prevalence of genetic disorders among humans: balancing selection has selected harmful variants due to the selective pressure of pathogens because the heterozygous carrier can resist them. Then we show that the environment can induce adaptation of species by rapidly evolving genes. We also study the role of positive selection on speciation, particularly upon genes of the immune, reproductive and nervous systems. Finally, we highlight the role of regulatory sequences in changes in morphology between species and adaptation to the environment within species.
Lambda‐PCR for precise DNA assembly and modification
Authors: Tanniche Imen , Fisher Amanda K. , Gillam Frank , Collakova Eva , Zhang Chenming , Bevan David R. , Senger Ryan S. 
Published: September 2022

AbstractLambda‐polymerase chain reaction (λ‐PCR) is a novel and open‐source method for DNA assembly and cloning projects. λ‐PCR uses overlap extension to ultimately assemble linear and circular DNA fragments, but it allows the single‐stranded DNA (ssDNA) primers of the PCR extension to first exist as double‐stranded DNA (dsDNA). Having dsDNA at this step is advantageous for the stability of large insertion products, to avoid inhibitory secondary structures during direct synthesis, and to reduce costs. Three variations of λ‐PCR were created to convert an initial dsDNA product into an ssDNA “megaprimer” to be used in overlap extension: (i) complete digestion by λ‐exonuclease, (ii) asymmetric PCR, and (iii) partial digestion by λ‐exonuclease. Four case studies are presented that demonstrate the use of λ‐PCR in simple gene cloning, simultaneous multipart assemblies, gene cloning not achievable with commercial kits, and the use of thermodynamic simulations to guide λ‐PCR assembly strategies. High DNA assembly and cloning efficiencies have been achieved with λ‐PCR for a fraction of the cost and time associated with conventional methods and some commercial kits.
Electrostatic potential difference between tumor and paratumor regulates cancer stem cell behavior and prognose tumor spread
Authors: Zhao Haoran , Zhang Weijie , Tang Xiaowei , Galan Edgar A. , Zhu Yinheng , Sang Gan , Khutsishvili Davit , Zheng Honghui , Ma Shaohua 
Published: September 2022

AbstractTumor spread is responsible for most deaths related to cancer. Increasing the accuracy of cancer prognosis is critical to reducing the high mortality rates in cancer patients. Here, we report that the electrostatic potential difference (EPD) between tumor and its paratumor tissue is a prognostic marker for tumor spread. This finding is concluded from the patient‐specific EPD values and clinical observation. The electrostatic potential values were measured on tissue cryosections from 51 patients using Kelvin probe force microscopy (KPFM). A total of ~44% (15/34) patients of Vtumor–paratumor > 0 were featured with tumor spread, whereas only ~18% (2/11) patients of Vtumor–paratumor < 0 had tumor spread. Next, we found the increased enrichment of cancer stem cells in paratumors with lower electrostatic potentials using immunofluorescence imaging, which suggested the attribution of tumor spread to the galvanotaxis of cancer stem cells (CSCs) toward lower potential. The findings were finally validated in breast and lung spheroid models composed of differentiated cancer cells and cancer stem cells at the ratio of 1:1 and embedded in Matrigel dopped with negative‐, neutral‐ and positive‐charged polymers and CSCs prefer to spread out of spheroids to lower electrostatic potential sites. This work may inspire the development of diagnostic and prognostic strategies targeting at tissue EPDs and CSCs for tumor therapy.
A Selenium‐Substituted Heptamethine Cyanine Photosensitizer for Near‐Infrared Photodynamic Therapy
Authors: Sun Jinghan , Feng Erting , Shao Yutong , Lv Fangyuan , Wu Yingnan , Tian Jiarui , Sun Han , Song Fengling 
Published: September 2022

AbstractPhotodynamic therapy (PDT) is a relatively safe approach to cancer treatment without significant systemic side effects or drug resistance. However, the current PDT efficiency is unsatisfactory due to the lack of near‐infrared (NIR) photosensitizers. Heptamethine cyanine (Cy7) dyes are well‐known NIR fluorophores and are also used as photosensitizers. But their singlet oxygen quantum yields (ΦΔ) are not ideal. Herein, we developed an NIR photosensitizer with a long‐lived excited triplet state (τ=4.3 μs) by introducing a selenium atom into the structure of a Cy7 dye. The new NIR photosensitizer exhibits a significantly high singlet oxygen quantum yield (ΦΔ=0.11). Its good PDT effect was demonstrated in the living cells. Considering that the selenium‐substituted photosensitizer has a very low dark cytotoxicity and good chemical stability, we conclude that it will have a promising future in biomedical and clinical applications.
A rare coincidence of Turner syndrome and bronchiectasis: A case report
Authors: Almoshantaf Mohammad Bader , Swed Sarya , Ezzdean Weaam , Kashkash Fateh , Ghaith Hazem S. , Sawaf Bisher , Motawea Karam R. 
Published: September 2022

AbstractSimilar to bronchiectasis, Turner syndrome is possible to have more pathological manifestations or etiologies than what has already been documented. Slower recovery process is expected when treating a patient with several comorbidities like Turner syndrome. Turner syndrome patients are vulnerable and should be extensively monitored to lower late presentation rates.
Unifying genetic association tests via regression: Prospective and retrospective, parametric and nonparametric, and genotype‐ and allele‐based tests
Authors: Zhang Lin , Sun Lei 
Published: September 2022

AbstractGenetic association analysis, which evaluates relationships between genetic markers and complex, heritable traits, is the basis of genome‐wide association studies. The many association tests that have been developed can generally be classified as prospective versus retrospective, parametric versus nonparametric, and genotype‐ versus allele‐based. While method classifications are useful, it can be confusing and challenging for practitioners to decide on the “optimal” test to use for their data. We go beyond known differences between some popular association tests and provide new results that show analytical connections between tests, for both population‐ and family‐based study designs.
Intercropping with the potential cadmium hyperaccumulator Solanum photeinocarpum, and its post‐grafting generations, decrease cadmium uptake and promote growth of cherry
Authors: Xiao Yunying , Zhou Lianying , Liu Linxi , Liao Qiuyu , Li Wanzhi , Lin Lijin 
Published: September 2022

AbstractCadmium (Cd)‐contaminated soil has affected the fruit production safety. To decrease the Cd accumulation in the fruits, the effects of intercropping with the potential Cd‐hyperaccumulator Solanum photeinocarpum and its post‐grafting generations on the Cd uptake in cherry (Cerasus pseudocerasus) were studied by the pot experiments. Intercropping increased the biomass of cherry seedlings to some extent, and decreased the biomass of S. photeinocarpum and its post‐grafting generations. Intercropping decreased the Cd contents in cherry seedlings, and increased the Cd contents in S. photeinocarpum and its post‐grafting generations. Compared with their respective monoculture, intercropping decreased the shoot Cd content in cherry seedlings by 31.37%–60.70%, and increased the shoot Cd contents in S. photeinocarpum its post‐grafting generations by 18.50%–28.76%. In addition, intercropping also decreased the root‐to‐shoot Cd translocations in both plant species, and decreased the Cd content in the branches and fruits of fruiting cherry trees and the Cd extractions of S. photeinocarpum and its post‐grafting generations. Therefore, intercropping with S. photeinocarpum and its post‐grafting generations can be used to reduce Cd accumulation in cherry for fruit production safety.
Adverse Outcome Pathways for Chronic Copper Toxicity to Fish and Amphibians
Authors: Brix Kevin V. , De Boeck Gudrun , Baken Stijn , Fort Douglas J. 
Published: September 2022

Abstract
In the present review, we synthesize information on the mechanisms of chronic copper (Cu) toxicity using an adverse outcome pathway framework and identify three primary pathways for chronic Cu toxicity: disruption of sodium homeostasis, effects on bioenergetics, and oxidative stress. Unlike acute Cu toxicity, disruption of sodium homeostasis is not a driving mechanism of chronic toxicity, but compensatory responses in this pathway contribute to effects on organism bioenergetics. Effects on bioenergetics clearly contribute to chronic Cu toxicity with impacts at multiple lower levels of biological organization. However, quantitatively translating these impacts into effects on apical endpoints such as growth, amphibian metamorphosis, and reproduction remains elusive and requires further study. Copper-induced oxidative stress occurs in most tissues of aquatic vertebrates and is clearly a significant driver of chronic Cu toxicity. Although antioxidant responses and capacities differ among tissues, there is no clear indication that specific tissues are more sensitive than others to oxidative stress. Oxidative stress leads to increased apoptosis and cellular damage in multiple tissues, including some that contribute to bioenergetic effects. This also includes oxidative damage to tissues involved in neuroendocrine axes and this damage likely alters the normal function of these tissues. Importantly, Cu-induced changes in hormone concentrations and gene expression in endocrine-mediated pathways such as reproductive steroidogenesis and amphibian metamorphosis are likely the result of oxidative stress-induced tissue damage and not endocrine disruption. Overall, we conclude that oxidative stress is likely the primary driver of chronic Cu toxicity in aquatic vertebrates, with bioenergetic effects and compensatory response to disruption of sodium homeostasis contributing to some degree to observed effects on apical endpoints. Environ Toxicol Chem 2022;41:2911–2927. © 2022 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Freshwater Environmental Risk Assessment of Down-the-Drain Octinoxate Emissions in the United States
Authors: Burns Emily E. , Roush Kyle S. , Csiszar Susan A. , Davies Iain A. 
Published: September 2022

Abstract
Organic ultraviolet (UV) filters are used in a variety of cosmetic and personal care products (CPCPs), including sunscreens, due to their ability to absorb solar radiation. These UV filters can be washed down the drain through bathing, cleansing, or the laundering of clothing, therefore UV filters can enter the freshwater environment via wastewater treatment plant effluent, and so a freshwater risk assessment is necessary to establish the environmentally safe use of these important CPCP ingredients. In the present study, an environmental safety assessment for a UV filter of regulatory concern, octinoxate, was conducted. An established risk assessment framework designed specifically for CPCPs released to the freshwater environment in the United States was used for the assessment. A distribution of predicted environmental concentrations (PECs) representative of conditions across the region was calculated using the spatially resolved probabilistic exposure model iSTREEM. A review of available hazard data was conducted to derive a predicted no-effect concentration (PNEC). The safety assessment was conducted by comparing the PEC distribution to the PNEC. A substantial margin of safety was found between the 90th percentile PEC, which is representative of the reasonable worst-case environmental exposure, and the PNEC. Owing to this finding of negligible risk, further refinement of the risk assessment through the generation of experimental data or refinement of conservative assumptions is not prioritized. These results are critical for demonstrating the environmental safety of UV filters in the US freshwater environment and will help guide future work. Environ Toxicol Chem 2022;41:3116–3124. © 2022 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Does human resource system strength help employees act proactively? The roles of crisis strength and work engagement
Authors: Song Qi , Guo Peiqi , Fu Rong , Cooke Fang Lee , Chen Yang 
Published: September 2022

AbstractMany empirical studies have elucidated the antecedents and psychological mechanisms of employees' proactive behaviors. However, there is limited knowledge about how a human resource (HR) system helps employees proactively adjust to their changing work environment. Drawing on social exchange theory and event system theory, we developed a theoretical model to examine whether, how, and when perceptions of the HR system strength impact employee proactive behavior during crises. Results from a three‐wave time‐lagged survey of 305 employees in 65 teams in eight Chinese companies indicate that HR system strength creates a strong situation by alleviating employees' uncertainty about how to behave during crises, which stimulates employees' work engagement and subsequent proactive behaviors. Moreover, employees' perceptions of HR system strength are more likely to influence work engagement when employees perceive the COVID‐19 crisis as more severe. We discuss the theoretical and practical implications of the findings and outline important future research directions.