bluuebunny/crossref_metadata_2025_split huggingface dataset:
Umpolung‐Enabled Divergent Dearomative Carbonylations
Authors: Wang Ming‐Yang , Zeng Wei‐Long , Chen Lin , Yuan Yu‐Fei , Li Wei 
Published: May 2024

AbstractAlthough dearomative functionalizations enable the direct conversion of flat aromatics into precious three‐dimensional architectures, the case for simple arenes remains largely underdeveloped owing to the high aromatic stabilization energy. We herein report a dearomative sequential addition of two nucleophiles to arene π‐bonds through umpolung of chromium–arene complexes. This mode enables divergent dearomative carbonylation reactions of benzene derivatives by tolerating various nucleophiles in combination with alcohols or amines under CO‐gas‐free conditions, thus providing modular access to functionalized esters or amides. The tunable synthesis of 1,3‐ or 1,4‐cyclohexadienes as well as the construction of carbon quaternary centers further highlight the versatility of this dearomatization. Diverse late‐stage modifications and derivatizations towards synthetically challenging and bioactive molecules reveal the synthetic utility. A possible mechanism was proposed based on control experiments and intermediate tracking.
Modulating Hydrogen Shuttling in Ammonia by Neutral and Cationic Boron‐Containing Frustrated Lewis Pairs (FLPs)
Authors: Crumpton Agamemnon E. , Heilmann Andreas , Aldridge Simon 
Published: May 2024

AbstractXanthene‐backbone FLPs featuring secondary borane functions −B(ArX)H (where ArX=C6F5 (ArF) or C6Cl5 (ArCl)) have been targeted through reactions of the dihydroboranes Me2S ⋅ BArXH2 with [4,5‐xanth(PR2)Li]2 (R=Ph, iPr), and investigated in the synthesis of related cationic systems via hydride abstraction. The reactivity of these systems (both cationic and charge neutral) with ammonia have been probed, with a view to probing the potential for proton shuttling via N−H bond ‘activation.’ We find that in the case of four‐coordinate boron systems (cationic or change neutral), the N−H linkage remains intact, supported by a NH⋅⋅⋅P hydrogen bond which is worth up to 17 kcal mol−1 thermodynamically, and enabled by planarization of the flexible xanthene scaffold. For cationic three coordinate systems, N‐to‐P proton transfer is viable, driven by the ability of the boron centre to stabilise the [NH2]− conjugate base through N‐to‐B π bonding. This proton transfer can be shown to be reversible in the presence of excess ammonia, depending on the nature of the B‐bound ArX group. It is viable in the case of C6F5 substituents, but is prevented by the more sterically encumbering and secondary donor‐stabilising capabilities of the C6Cl5 substituent.
Engineering Single‐Atom Sites with the Irving–Williams Series for the Simultaneous Co‐photocatalytic CO2 Reduction and CH3CHO Oxidation
Authors: Li Jian , Du Minghao , Wu Zhenfa , Zhang Xinru , Xue Wenjuan , Huang Hongliang , Zhong Chongli 
Published: May 2024

AbstractThe bonding effects between 3d transition‐metal single sites and supports originate from crystal field stabilization energy (CFSE). The 3d transition‐metal atoms of the spontaneous geometrical distortions, that is the Jahn–Teller effect, can alter CFSE, thereby leading to the Irving–Williams series. However, engineering single‐atom sites (SASs) using the Irving–Williams series as an ideal guideline has not been reported to date. Herein, alkynyl‐linked covalent phenanthroline frameworks (CPFs) with phenanthroline units are developed to anchor the desired 3d single metal ions from d5 to d10 (Mn2+, Fe3+, Co2+, Ni2+, Cu2+, and Zn2+). The Irving–Williams series was employed to accurately predict the bonding effects between 3d transition‐metal atoms and phenanthroline units. To verify this, theoretical calculations and experimental results reveal that Cu‐SASs/CPFs exhibits higher stability and faster charge‐transfer efficiency, far surpassing other metal‐SASs/CPFs. As expected, Cu‐SASs/CPFs demonstrates a high photoreduction of CO2‐to‐CO activity (~30.3 μmol ⋅ g−1 ⋅ h−1) and an exceptional photooxidation of CH3CHO‐to‐CH3COOH activity (~24.7 μmol ⋅ g−1 ⋅ h−1). Interestingly, the generated *O2− is derived from the process of CO2 reduction, thereby triggering a CH3CHO oxidation reaction. This work provides a novel design concept for designing SASs by the Irving–Williams to regulate the catalytic performances.
Chloride‐ and Hydrosulfide‐Bound 2Fe Complexes as Models of the Oxygen‐Stable State of [FeFe] Hydrogenase
Authors: Liu Yu‐Chiao , Chu Kai‐Ti , Wang Hong‐Ru , Lee Gene‐Hsiang , Tseng Mei‐Chun , Wang Cheng‐Hsin , Horng Yih‐Chern , Chiang Ming‐Hsi 
Published: May 2024

Abstract[FeFe] hydrogenases demonstrate remarkable catalytic efficiency in hydrogen evolution and oxidation processes. However, susceptibility of these enzymes to oxygen‐induced degradation impedes their practical deployment in hydrogen‐production devices and fuel cells. Recent investigations into the oxygen‐stable (Hinact) state of the H‐cluster revealed its inherent capacity to resist oxygen degradation. Herein, we present findings on Cl‐ and SH‐bound [2Fe‐2S] complexes, bearing relevance to the oxygen‐stable state within a biological context. A characteristic attribute of these complexes is the terminal Cl−/SH− ligation to the iron center bearing the CO bridge. Structural analysis of the t‐Cl demonstrates a striking resemblance to the Hinact state of DdHydAB and CbA5H. The t‐Cl/t‐SH exhibit reversible oxidation, with both redox species, electronically, being the first biomimetic analogs to the Htrans and Hinact states. These complexes exhibit notable resistance against oxygen‐induced decomposition, supporting the potential oxygen‐resistant nature of the Htrans and Hinact states. The swift reductive release of the Cl‐/SH‐group demonstrates its labile and kinetically controlled binding. The findings garnered from these investigations offer valuable insights into properties of the enzymatic O2‐stable state, and key factors governing deactivation and reactivation conversion. This work contributes to the advancement of bio‐inspired molecular catalysts and the integration of enzymes and artificial catalysts into H2‐evolution devices and fuel‐cell applications.
Lithium Borate Polycarbonates for High‐Capacity Solid‐State Composite Cathodes
Authors: Charlesworth Thomas , Yiamsawat Kanyapat , Gao Hui , Rees Gregory J. , Williams Charlotte K. , Bruce Peter G. , Pasta Mauro , Gregory Georgina L. 
Published: May 2024

AbstractImproving composite cathode function is key to the success of the solid‐state battery. Maximizing attainable cathode capacity and retention requires integrating suitable polymeric binders that retain a sufficiently high ionic conductivity and long‐term chemo‐mechanical stability of the cathode active material‐solid‐electrolyte‐carbon mixture. Herein, we report block copolymer networks composed of lithium borate polycarbonates and poly(ethylene oxide) that improved the capacity (200 mAh g−1 at 1.75 mA cm−2) and capacity retention (94 % over 300 cycles) of all‐solid‐state composite cathodes with nickel‐rich LiNi0.8Co0.1Mn0.1O2 cathode active material, Li6PS5Cl solid electrolyte, and carbon. Tetrahedral B(OR)2(OH)2− anions immobilized on the polycarbonate segments provide hydrogen‐bonding chain crosslinking and selective Li‐counterion conductivity, parameterized by Li‐ion transference numbers close to unity (tLi+~0.94). With 90 wt % polycarbonate content and a flexible low glass transition temperature backbone, the single‐ion conductors achieved high Li‐ion conductivities of 0.2 mS cm−1 at 30 °C. The work should inform future binder design for improving the processability of cathode composites towards commercializing solid‐state batteries, and allow use in other cell configurations, such as lithium‐sulphur cathode designs.
Formation, Structure and Reactivity of a Beryllium(0) Complex with Mgδ+−Beδ− Bond Polarization
Authors: Berthold Chantsalmaa , Maurer Johannes , Klerner Lukas , Harder Sjoerd , Buchner Magnus R. 
Published: May 2024

AbstractAttempts to create a novel Mg−Be bond by reaction of [(DIPePBDI*)MgNa]2 with Be[N(SiMe3)2]2 failed; DIPePBDI*=HC[(tBu)C=N(DIPeP)]2, DIPeP=2,6‐Et2C‐phenyl. Even at elevated temperatures, no conversion was observed. This is likely caused by strong steric shielding of the Be center. A similar reaction with the more open Cp*BeCl gave in quantitative yield (DIPePBDI*)MgBeCp* (1). The crystal structure shows a Mg−Be bond of 2.469(4) Å. Homolytic cleavage of the Mg−Be bond requires ΔH=69.6 kcal mol−1 (cf. CpBe−BeCp 69.0 kcal mol−1 and (DIPPBDI)Mg−Mg(DIPPBDI) 55.8 kcal mol−1). Natural‐Population‐Analysis (NPA) shows fragment charges: (DIPePBDI*)Mg +0.27/BeCp* −0.27. The very low NPA charge on Be (+0.62) compared to Mg (+1.21) and the strongly upfield 9Be NMR signal at −23.7 ppm are in line with considerable electron density on Be and the formal oxidation state assignment of MgII−Be0. Despite this Mgδ+−Beδ− polarity, 1 is extremely thermally stable and unreactive towards H2, CO, N2, cyclohexene and carbodiimide. It reacted with benzophenone, azobenzene, phenyl acetylene, CO2 and CS2. Reaction with 1‐adamantyl azide led to reductive coupling and formation of an N6‐chain. The azide reagent also inserted in the Cp*−Be bond. The inertness of 1 is likely due to bulky ligands protecting the Mg−Be unit.
Improvement of thermal stability, flame retardancy, hydrophobicity, tear and wear performance of polyester fabrics with graphene nanoplatelet coating
Authors: Manasoglu Gizem , Celen Rumeysa , Kanmaz Dilayda 
Published: May 2024

AbstractIn this study, graphene nanoplatelets were applied to polyester fabrics using the knife‐coating method at different concentrations (50, 100, and 150 g/kg). SEM, DSC, and TGA/DTG analyses were performed. The influence of graphene coating on hydrophobicity and surface roughness was examined by water contact angle (WCA) measurement and root mean square roughness, respectively. Abrasion resistance and tear strength tests were also performed. The effect of graphene used as a filler on the flammability of polyester fabric was evaluated for the first time according to the BS 5852 standard. No significant weight loss (only in the range of 0.4%–1.5%) was observed in the graphene‐coated samples even after 100,000 cycles. While the WCA value was 0 for the uncoated fabric, the blind coating and maximum graphene‐coated sample measured 86° and 95°, respectively. The coating process reduced the roughness of the base fabric, and the decrease continued with the increasing graphene ratio. The tear strength values that were 45.5 N in the warp and 53.6 N in the weft direction in the blind coating, increased to 52.2 and 59.1 N, respectively, at the maximum graphene concentration. Graphene coating enhanced thermal stability, increased hydrophobicity, and improved flame retardancy in the test using a smoldering cigarette.
Temperature dependent cut‐resistance properties of ultra‐high molecular weight polyethylene based knitted textiles
Authors: Singh Shubham , Somkuwar Viraj Uttamrao , Maurya Sandeep Kumar , Garg Hema , Das Apurba , Kumar Nandan , Kumar Bipin 
Published: May 2024

AbstractThe increasing awareness of safety standards for personal protective equipment in various industries and everyday life has significantly increased the demand for effective cut‐resistance clothing to prevent injuries. Ultra‐high molecular weight polyethylene (UHMWPE), renowned for its strength, is predominantly used to produce cut‐protective clothing for sectors such as automotive, manufacturing, glass, and metal. These cut‐resistance clothing are often exposed to harsh workplace conditions, including elevated temperatures, which can compromise their structural integrity and diminish their cut‐protection efficacy. The present work investigates the effect of temperature on the cut‐resistance performance of core‐spun UHMWPE yarns integrated with stainless‐steel and glass filament‐based knitted fabrics. Cut‐performance was assessed across industrial work handling temperatures ranging from 30 to 75°C. Furthermore, thermal cut performance was analyzed by structural characterization and surface morphology of the samples. The results revealed a general decline in cut performance with increasing temperature for all samples, with stainless steel‐reinforced UHMWPE fabrics experiencing the most pronounced reduction % compared with their glass fiber‐reinforced and 100% UHMWPE counterparts. These results are substantiated by analyses of surface temperature distribution profiles and x‐ray diffraction outcomes. This study benefits industry workers, guiding them in selecting effective protective clothing for varied thermal conditions.
Investigation of polypropylene yarns containing silver nanoparticles: Fiber characteristics, yarn properties, and fabric performance analysis
Authors: Demirhan Ali Doğukan , Tuğral Seda , Sarıışık Merih , Göktaş Devrim , Kartal Gülşah Ekin 
Published: May 2024

AbstractThis study focuses on the development of antimicrobial technical textiles using silver‐infused polypropylene fibers to meet the escalating demand for enhanced protection against pathogens in medical settings. Various polypropylene‐based fibers with different silver concentrations and cross‐sections were produced through spinning experiments, resulting in six distinct fiber types. Comprehensive analyses, including differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and X‐Ray diffraction (XRD), were conducted to evaluate thermal and structural properties. Physical strength and morphological characteristics were examined to determine optimal compositions. Subsequently, selected fibers were spun into yarns and knitted to create textile surfaces. Evaluation encompassed physical attributes, color, morphology, water vapor permeability, and antimicrobial efficacy against Gram‐negative bacteria, particularly E.coli. The results demonstrated over 99% antibacterial activity across all samples, highlighting their potential utility in medical textiles and other applications. Additionally, the study revealed that the water vapor permeability values were higher in fabric samples without silver nanoparticle additives, with a negligible decrease observed in samples with higher silver nanoparticle concentrations. The antibacterial activity was found to increase with higher silver concentrations in trilobal cross‐section samples. Round cross‐section samples exhibited higher antibacterial activity at the same silver concentration. These findings provide valuable insights for future antibacterial‐based fiber production studies and literature.
Modeling of the temperature‐dependent tensile strength of polymer considering the effect of the two‐phase transition of glass and rubber phases
Authors: Li Ying , Zuo Mini , Mai Zhipeng , Deng Qian , Lin Yi , Zhang Xuyao , Li Weiguo 
Published: May 2024

AbstractThis study explores the contribution of glass phase and rubber phase to polymer failure, and establishes a theoretical model of temperature‐dependent tensile strength (TDTS) considering the effect of two‐phase transition based on the Force‐heat Equivalence Energy Density Principle (FHEEDP). The model achieves good verification by comparison with the TDTS experimental data of various polymer materials, including epoxy‐based shape memory polymer (SMP), PEEK‐based SMP and CdS/PMMA. The results demonstrate that the model can perform an accurate prediction for the tensile strength of polymer at different temperatures by easily obtainable material parameters. In conclusion, the proposed theoretical model deepens the understanding on the two‐phase transition and their effect on the TDTS, as well as supplies a practical predicted method on the TDTS of polymer, which is crucial for polymer applied in extreme condition.
Identification of vilazodone as a novel plasminogen activator inhibitor to overcome Alzheimer's disease through virtual screening, molecular dynamics simulation, and biological evaluation
Authors: Sun Wenxiu , Sheng Xuan , Li Peiru , Li Runwu , Guo Zihe , Lin Hao , Gong Yuesong 
Published: May 2024

AbstractUrokinase‐type plasminogen activator (PLAU), a member of the S1 serine peptidase family in Clan PA, plays a crucial role in the conversion of plasminogen into active plasmin. However, the precise role of PLAU in the central nervous system remains incompletely elucidated, particularly, in relation to Alzheimer's disease (AD). In this study, we successfully identified that PLAU could promote cell senescence in neurons, indicating it as a potential target for AD treatment through a systematic approach, which included both bioinformatics analysis and experimental verification. Subsequently, a structure‐based virtual screening approach was employed to identify a potential PLAU inhibitor from the Food and Drug Administration‐approved drug database. After analyzing docking scores and thoroughly examining the receptor–ligand complex interaction modes, vilazodone emerges as a highly promising PLAU inhibitor. Additionally, molecular docking and molecular dynamics simulations were performed to generate a complex structure between the relatively stable inhibitor vilazodone and PLAU. Of note, vilazodone exhibited superior cytotoxicity against senescent cells, showing a senolytic activity through targeting PLAU and ultimately producing an anti‐AD effect. These findings suggest that targeting PLAU could represent a promising therapeutic strategy for AD. Furthermore, investigating the inhibitory potential and structural modifications based on vilazodone may provide valuable insights for future drug development targeting PLAU in AD disorders.
Brokering knowledge from laboratory experiments in evidence‐based education: The case of interleaving
Authors: Rowlandson Paul , Simpson Adrian 
Published: May 2024

AbstractThe turn to ‘evidence‐based education’ in the past three decades favours one type of evidence: experiment. Knowledge brokers ground recommendations for classroom practice on reports of experimental research. This paper distinguishes field and laboratory experiments, on the basis of control and precision of causal ascription. Briefly noting problems with knowledge brokers’ extrapolating from field experiments, the paper's main focus is on extrapolating from laboratory experiments, using the case of ‘interleaving’. It argues that knowledge brokers often extrapolate from laboratory experiments as if they are field experiments. By considering both laboratory and ‘extra‐lab’ interleaving studies, it suggests that an alternative extrapolation—creating laboratory effects in the classroom—has little pedagogical value. The conclusion suggests focussing on mechanisms, contexts and outcomes as a more useful basis for brokering pedagogical knowledge from laboratory experiments.
Beyond the hype: Deciphering brand trust amid sustainability skepticism
Authors: Riva Farzana , Magrizos Solon , Rizomyliotis Ioannis , Uddin Mohammad Rajib 
Published: May 2024

AbstractPositioning a brand as environment‐friendly does not guarantee that customers will blindly accept it. While previous research has explored consumer responses to various green marketing claims, the search for the process under which consumers form positive or negative associations remains inconclusive. Based on the theoretical lens of signaling, this study examines the process of green brand trust where consumers form green brand associations after receiving the appropriate signal from the firms. In so doing we answer calls for more research on green brand trust and extend previous understanding by arguing for and confirming the mediating role of green brand associations. We further hypothesize that resultant mediation will be stronger for individuals with low green skepticism. Findings from 270 consumers indicate that green brand association mediates the relationship between green brand positioning and green brand trust. Further, green skepticism may weaken green brand association's effect on green brand trust. While firms tend to take extra effort to make their green offering trustworthy, they need to strengthen their signaling efforts that facilitate associating with a green brand to trust that brand.
Driving toward business sustainability: Empirical evidence from low‐carbon practices
Authors: Wang Shuang , Tuo Yiwen , Zhang Xueqing , Tan Yingshuang , Liu Man 
Published: May 2024

AbstractThis study investigated the effect of low‐carbon practices on business sustainability, delved into the underlying mechanisms that exist between them, and designed the recipes tailored toward promoting business sustainability in both high and low‐level. Based on a sample of 681 firms with 1376 observations from 2020 to 2022 that disclose the low‐carbon practices in MD&A, we employed a quasi‐replication method comprising regression analysis and fuzzy‐set qualitative comparative analysis (fsQCA) to test hypotheses and explore pathways. Regression analysis results demonstrate that low‐carbon practices significantly promote business sustainability and underscore the mediation effect of technological innovation capacity, alongside the moderating influence of R&D funding and government incentives and penalties. Additionally, fsQCA results reveal a pronounced synergistic impact emanating from multiple antecedent conditions, rather than a singular factor, in driving both high‐ and low‐level business sustainability. The findings on sustainable business operations management are invaluable for decision‐makers seeking to establish a low‐carbon strategic initiative that adeptly addresses the diverse opportunities and complexities posed by global environmental concerns.
Efficiency of transurethral en‐bloc resection vs. conventional transurethral resection for non‐muscle‐invasive bladder cancer: An umbrella review
Authors: Li Deng‐xiong , Yu Qing‐xin , Wu Rui‐cheng , Wang Jie , Feng De‐chao , Deng Shi 
Published: May 2024

AbstractBackgroundEn‐Bloc transurethral resection of bladder tumor (ERBT) was clinically used to resect non‐muscle‐invasive bladder cancer (NMIBC). However, discrepancies persist regarding the comparisons between ERBT and conventional transurethral resection of bladder tumor (cTURBT).MethodsWe conducted a comprehensive search in PubMed, Embase, Web of Science, Cochrane Database of Systematic Reviews, and performed manual searches of reference lists to collect and extract data. Data evaluation was carried out using Review Manager 5.4.0, Rx64 4.1.3, and relevant packages.ResultsThere were nine eligible meta‐analyses and nine eligible RCTs in our study. NMIBC patients undergoing ERBT were significant associated with a lower rate of bladder perforation and obturator nerve reflex compared to those receiving cTURBT. Our pooled result indicated that ERBT and cTURBT required similar operation time. Regarding postoperative outcomes, ERBT demonstrated superior performance compared to cTURBT in terms of detrusor muscle presence, catheterization time, and residual tumor. ERBT exhibited a higher rate of three‐month recurrence‐free survival (RFS) compared to those receiving cTURBT (p < 0.05; I2 = 0%). In bipolar subgroup, ERBT had a significant better 12‐month RFS than cTURBT (p < 0.05; I2 = 0%). Simultaneously, the exclusion of Hybrid Knife data revealed a significant improvement in 12‐month RFS associated with ERBT (p < 0.05; I2 = 50%).ConclusionUsing a combination of umbrella review and meta‐analysis, we demonstrated that ERBT had better or comparable perioperative outcome and improved 3 and 12 month RFS than cTURBT. We suggest that ERBT maybe a better surgical method for patients with NMIBC compared with cTURBT.