bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhancing Cycling Stability of Lithium Metal Batteries by a Bifunctional Fluorinated Ether
Authors: Tran Thanh‐Nhan , Cao Xia , Xu Yaobin , Gao Peiyuan , Zhou Hui , Guo Fenghua , Han Kee Sung , Liu Dianying , Le Phung ML , Weller J. Mark , Engelhard Mark H. , Wang Chongmin , Whittingham M. Stanley , Xu Wu , Zhang Ji‐Guang 
Published: July 2024

AbstractThe lifespan of lithium (Li) metal batteries (LMBs) can be greatly improved by the formation of inorganic‐rich electrode‐electrolyte interphases (EEIs) (including solid‐electrolyte interphase on anode and cathode‐electrolyte interphase on cathode). In this work, a localized high‐concentration electrolyte containing lithium bis(fluorosulfonyl)imide (LiFSI) salt, 1,2‐dimethoxyethane (DME) solvent and 1,2‐bis(1,1,2,2‐tetrafluoroethoxy)ethane (BTFEE) diluent is optimized. BTFEE is a fluorinated ether with weakly‐solvating ability for LiFSI so it also acts as a co‐solvent in this electrolyte. It can facilitate anion decomposition at electrode surfaces and promote the formation of more inorganic‐rich EEI layers. With an optimized molar ratio of LiFSI:DME:BTFEE = 1:1.15:3, LMBs with a high loading (4 mAh cm−2) lithium nickel manganese cobalt oxide (LiNi0.8 Mn0.1 Co0.1) cathode can retain 80% capacity in 470 cycles when cycled in a voltage range of 2.8–4.4 V. The fundamental understanding on the functionality of BTFEE revealed in this work provides new perspectives on the design of practical high‐energy density battery systems.
Binding Angle Robustness of Plasmonic Nanorod Dimer Resonances
Authors: Hohenau Andreas , Bugnet Matthieu , Kapetanovic Viktor , Radtke Guillaume , Botton Gianluigi A. , Reichelt Nikita , Hohenester Ulrich , Krenn Joachim R. , Boubekeur‐Lecaque Leïla , Félidj Nordin 
Published: July 2024

AbstractNarrow gaps between coupled plasmonic nano‐particles show strong optical field enhancements and spectrally adjustable resonance positions, making them attractive for surface enhanced spectroscopies. Gold nanorod dimers formed from nanorod solutions with narrow size distributions are intensely investigated in this context. However, the binding angle of rods coupled at their end faces is usually not controllable. Surprisingly, it is observed that this has only little effect on field enhancement and resonance energies. In this work, gold nanorod dimers are investigated by mapping their plasmon resonances using electron energy‐loss spectroscopy in a scanning transmission electron microscope. For a wide range of dimer orientations, a negligible influence of the angle between the two rods on the bonding and antibonding longitudinal dipole resonances is confirmed, in good agreement with numerical simulations. The results are interpreted via the predominant end‐coupling of the individual nanorod's plasmonic modes, as illustrated by an analytical charge coupling model. In addition, the simulations emphasize that conclusions from experimental data on the gap morphology on the size range of one nanometer can be ambiguous. In any case, the full understanding of the angle‐invariant resonances of nano‐rod dimers can further promote their controlled application in surface enhanced spectroscopy or ‐sensing.
Radical Difunctionalization of Unsaturated Hydrocarbons Employing the Same Functional Reagent
Authors: Tian Wen‐Chan , Dai Nan‐Nan , Lu Yue‐Jiao , Li Mu‐Han , Ruan Yiping , Li Ting , Wei Wen‐Ting 
Published: July 2024

AbstractThe radical difunctionalization of unsaturated hydrocarbons serves as an efficient means to rapidly construct molecular skeletons and synthesize‐highly valuable compounds. In this transformational process, diverse positions within unsaturated hydrocarbons are sequentially functionalized by a single radical precursor reagent, thereby achieving highly efficient and selective transformations that promote atom economy. Furthermore, this approach minimizes the generation of numerous byproducts stemming from cross‐coupling reactions between reactants, owing to the reduction of the number of participating components. Therefore, this review provides an in‐depth analysis of the radical difunctionalization of unsaturated hydrocarbons utilizing a single functional reagent in recent decades. The discussion is based on eight different radical classes (carbon‐, nitrogen‐, phosphine‐, oxygen‐, sulfur‐, selenium‐, tellurium‐, and chlorine‐centered radicals), emphasizing the mechanism of specific radical difunctionalization. It also analyzes in detail the regulation of key factors such as regional selectivity, and provides unique insights into reaction transformations.
Hydrogen Spillover Mechanism at the Metal–Metal Interface in Electrocatalytic Hydrogenation
Authors: Li Yuefei , Li Linsen , Xu Shenglin , Cui Kai , Wang Tianshuai , Jiang Zhao , Li Jiayuan 
Published: July 2024

AbstractHydrogen spillover in metal‐supported catalysts can largely enhance electrocatalytic hydrogenation performance and reduce energy consumption. However, its fundamental mechanism, especially at the metal–metal interface, remains further explored, impeding relevant catalyst design. Here, we theoretically profile that a large free energy difference in hydrogen adsorption on two different metals (|ΔGH‐metal(i)−ΔGH‐metal(ii)|) induces a high kinetic barrier to hydrogen spillover between the metals. Minimizing the difference in their d‐band centers (Δϵd) should reduce |ΔGH‐metal(i)−ΔGH‐metal(ii)|, lowering the kinetic barrier to hydrogen spillover for improved electrocatalytic hydrogenation. We demonstrated this concept using copper‐supported ruthenium–platinum alloys with the smallest Δϵd, which delivered record high electrocatalytic nitrate hydrogenation performance, with ammonia production rate of 3.45±0.12 mmol h−1 cm−2 and Faraday efficiency of 99.8±0.2 %, at low energy consumption of 21.4 kWh kgamm−1. Using these catalysts, we further achieve continuous ammonia and formic acid production with a record high‐profit space.
Tandem Proton Transfer in Carboxylated Supramolecular Polymer for Highly Efficient Overall Photosynthesis of Hydrogen Peroxide
Authors: Zhang Qiang , Che Huinan , Yang Hongbin , Liu Bin , Ao Yanhui 
Published: July 2024

AbstractProton supply is as critical as O2 activation for artificial photosynthesis of hydrogen peroxide (H2O2) via two‐electron oxygen reduction reaction (2e− ORR). However, proton release via water dissociation is frequently hindered because of the sluggish water oxidation reaction (WOR), extremely limiting the efficiency of photocatalytic H2O2 production. To tackle this challenge, carboxyl‐enriched supramolecular polymer (perylene tetracarboxylic acid—PTCA) is elaborately prepared by molecular self‐assembly for overall photosynthesis of H2O2. Interestingly, the interconversion between carboxyl as Brønsted acid and its conjugated base realizes rapid proton circulation. Through this efficient tandem proton transfer process, the spatial effect of photocatalytic reduction and oxidation reaction is greatly enhanced with reduced reaction barrier. This significantly facilitates 2e− photocatalytic ORR to synthesize H2O2 and in the meanwhile promotes 4e− photocatalytic WOR to evolve O2. Consequently, the as‐developed PTCA exhibits a remarkable H2O2 yield of 185.6 μM h−1 in pure water and air atmosphere under visible light illumination. More impressively, an appreciable H2O2 yield of 78.6 μM h−1 can be well maintained in an anaerobic system owing to in situ O2 generation by 4e− photocatalytic WOR. Our study presents a novel concept for artificial photosynthesis of H2O2 via constructing efficient proton transfer pathway to enable rapid proton circulation.
Episodic Future Thinking Only Reduces Delay Discounting When Future Events Involve the Self
Authors: Olsen Rebecca A. , Macaskill Anne C. , Hunt Maree J. 
Published: July 2024

ABSTRACTVividly imagining personally relevant, future episodes (episodic future thinking) reduces delay discounting, with potential to provide many applied benefits. It is not clear whether the events imagined must involve the self, or whether vividly imagining future events that will happen to another person would also reduce delay discounting. In the current study, two groups of students wrote about future events, we then cued them to vividly imagine these future events while making delay‐amount trade‐off decisions (e.g., would you choose $500 now or $1000 in one year?). One group imagined future events happening to themselves, and another group to a specific person they knew. We compared discounting to a control condition where participants were simply instructed to “choose.” Only the group that imagined personally relevant, future events demonstrated reduced delay discounting. This suggests that episodic future thinking more effectively reduces delay discounting when future events happen to the self rather than another person. The group that imagined personally relevant future events were not more able to report the experimental hypotheses suggesting that this difference was not primarily driven by demand characteristics.
Assessing qualitative data richness and thickness: Development of an evidence‐based tool for use in qualitative evidence synthesis
Authors: Ames Heather M. R. , France Emma F. , Cooper Sara , Bianchim Mayara S. , Lewin Simon , Schmidt Bey‐Marrié , Uny Isabelle , Noyes Jane 
Published: July 2024

AbstractBackgroundWell‐conducted qualitative evidence syntheses (QESs) can provide invaluable insights into complex phenomena. However, the development of an in‐depth understanding depends on the analysis of rich, thick data from the included primary qualitative studies. Sampling may be needed if there are too many eligible studies. Data richness and thickness are among several criteria that can be taken into consideration when sampling studies for inclusion. However, existing tools do not address explicitly the assessment of both data richness and thickness in the context of QES.MethodsTo address this gap, we have developed, piloted, and conducted initial user testing of a richness and thickness assessment tool. The tool has been in development since 2014. Three pilot versions from three review teams have been used in six Cochrane reviews. Key members from the original three review teams subsequently came together to create a consensus‐based definitive version 1 of the tool. Four review authors piloted the version 1 tool, which has been subject to initial user testing. The version 1 assessment tool consists of two components: assessing the thickness of contextual data and assessing the richness of conceptual data. The accompanying guidance emphasizes the importance of assessing data that addresses the review question.ResultsThe paper provides guidance on how to apply the tool, emphasizing the importance of reaching a consensus among review authors and fostering a shared understanding of what constitutes rich and thick data in the context of the review. The potential challenges related to the time and resource constraints of this additional review process are acknowledged.ConclusionVersion 1 of the tool represents a significant development in QES methodology, filling a critical gap and enhancing the transparency and rigor of the sampling process. The authors invite feedback from the research community to further test, refine and improve this tool based on wider user experiences.
Controlling (E/Z)‐Stereoselectivity of −NHC=O Chlorination: Mechanism Principles for Wide Scope Applications
Authors: Maklad Raed M. , Moustafa Gamal A. I. , Aoyama Hiroshi , Elgazar Abdullah A. 
Published: July 2024

AbstractOrganic halogen compounds are cornerstones of applied chemical sciences. Halogen substitution is a smart molecular design strategy adopted to influence reactivity, membrane permeability and receptor interaction. Chiral bioreceptors may restrict the stereochemical requirements in the halo‐ligand design. Straightforward (but expensive) catalyzed stereospecific halogenation has been reported. Historically, PCl5 served access to uncatalyzed stereoselective chlorination although the stereochemical outcomes were influenced by steric parameters. Nonetheless, stereochemical investigation of PCl5 reaction mechanism with carbamoyl (RCONHX) compounds has never been addressed. Herein, we provide the first comprehensive stereochemical mechanistic explanation outlining halogenation of carbamoyl compounds with PCl5; the key regioselectivity‐limiting nitrilimine intermediate (8‐Z.HCl); how substitution pattern influences regioselectivity; why oxadiazole byproduct (P1) is encountered; stereo‐electronic factors influencing the hydrazonoyl chloride (P2) production; and discovery of two stereoselectivity‐limiting parallel mechanisms (stepwise and concerted) of elimination of HCl and POCl3. DFT calculations, synthetic methodology optimization, X‐ray evidence and experimental reaction kinetics study evidence all supported the suggested mechanism proposal (Scheme 2). Finally, we provide mechanism‐inspired future recommendations for directing the reaction stereoselectivity toward elusive and stereochemically inaccessible (E)‐bis‐hydrazonoyl chlorides along with potentially pivotal applications of both (E/Z)‐stereoisomers especially in medicinal chemistry and protein modification.
Data‐driven battery capacity estimation using support vector regression and model bagging under fast‐charging conditions
Authors: Wang Yixiu , Luo Qiyue , Cao Liang , Seth Arpan , Liu Jianfeng , Gopaluni Bhushan , Cao Yankai 
Published: July 2024

AbstractLithium‐ion batteries offer significant advantages in terms of their high energy and power density and efficiency, but capacity degradation remains a major issue during their usage. Accurately estimating the remaining capacity is crucial for ensuring safe operations, leading to the development of precise capacity estimation models. Data‐driven models have emerged as a promising approach for capacity estimation. However, existing models predominantly focus on constant current charging conditions, limiting their applicability in real‐world scenarios where fast‐charging conditions are commonly employed. The primary objective of this work is to develop a more versatile machine learning model (i.e., support vector regression [SVR]) capable of estimating battery capacity under fast‐charging conditions, with broader applicability across various work conditions. Genetic algorithm and cross‐validation techniques are employed to simultaneously optimize feature extraction hyperparameters and SVR hyperparameters. A model bagging method is further implemented to address prediction challenges under unknown fast‐charging conditions. The effectiveness of the developed model is validated on a cycling dataset of lithium‐ion batteries under different two‐stage fast‐charging conditions.
On‐farm evaluation of cassava clones using the triadic comparison of technology options approach
Authors: Nanyonjo Ann Ritah , Angudubo Stephen , Iragaba Paula , Brown David , Nuwamanya Ephraim , Esuma Williams , Ozimati Alfred , Wembabazi Enoch , Kanaabi Michael , Muhumuza Nicholas , Bayiyana Irene , van Etten Jacob , de Sousa Kauê , Tufan Hale , Kawuki Robert Sezi 
Published: July 2024

AbstractThe triadic comparison of technology options (tricot) approach to participatory varietal selection has been demonstrated to scale out the on‐farm testing of elite candidate crop varieties. In this study, we evaluated elite clones of cassava (Manihot esculenta Crantz) using the tricot approach. We sought to (1) synthesize on‐farm trial data from two cycles evaluating different sets of elite cassava clones; (2) assess the agronomic performance of elite cassava clones considering sociodemographic and climatic factors; and (3) assess the performance of elite cassava clones for both agronomic and food quality traits. The study involved 10 districts in Uganda, two cycles/seasons of evaluation, 20 elite cassava clones, one check variety, and 294 men and 320 women farmers. Our results indicate that the agronomic performance of elite cassava clones was influenced more by geographic than sociodemographic factors. Our analysis identified the number of days with rainfall higher than 20 mm as the most influencing climatic factor over agronomic performance. Further, the study identified superior elite cassava clones UG110164, UGC14170, and UG120193 as promising candidate varieties for release, targeting food products. Overall, our study emphasizes the important contribution of end‐users to crop improvement and provides insights into use of tricot on‐farm testing methodology to evaluate elite cassava clones during cassava variety development in Uganda, which can be used to support decision making for variety release.
Correlations among New Mexico pod‐type green chile (Capsicum annuum) fruit morphology characteristics with destemming force
Authors: Joukhadar Israel , Ortega Franchesca , Velasco‐Cruz Ciro , Barchenger Derek , Hill Theresa , Van Deynze Allen , Walker Stephanie 
Published: July 2024

AbstractDestemming refers to the removal of the calyx and pedicel from chile (Capsicum annuum) fruit, and destemming force is the amount of force required to accomplish this removal. The objective of this study was to describe the relationship between destemming force and fruit width, fruit length, and pericarp thickness, along with the genetic potential for combining the easy‐destemming attribute with the preferred fruit morphology of New Mexico (NM) pod‐type green chile. This investigation will define optimal selection criteria for reducing destemming force, while preserving the distinctive morphology of NM pod‐type green chile. We quantified phenotypic and genetic variation of 285 F3 families from three populations developed from reciprocal crosses between three NM pod‐type cultivars and an easy‐destemming cultivar. The results show destemming force exhibited significant positive phenotypic correlations with pericarp thickness and fruit width (0.90 and 0.92, respectively) and fruit length (0.69). Genetic correlations for each of the three populations for fruit morphological traits ranged from 0.2 to 0.9, with pericarp thickness with the highest genetic correlation with destemming force. Narrow‐sense heritability values were between 0.2 and 0.8, with destemming force and fruit length consistently having higher narrow‐sense heritability values. These findings suggest a correlation between the expression of pericarp thickness and destemming force. The lower estimates for pericarp thickness indicate environmental influences may play a more significant role in determining trait expression. The information generated from this study will aid in the development of efficient cultivars suited for mechanical harvesting in NM pod‐type breeding programs.
Sweat exosomes: A new cutting edge nanomedicine in cancer treatment
Authors: Dhara Bikram , Sarkar Subham 
Published: July 2024

AbstractExosomes can be defined as extracellular vesicles, of size ranging from 30 to 150 nm, secreted from almost all kinds of cells and can also be obtained from the body fluids. Exosomes have different components depending on the type of cell from which they originate. Exosomes are capable of transporting various molecules such as proteins, nucleic acids, chemical compounds and metabolites. Experiments show that exosomes can perform important functions in cell growth, migration, differentiation, neuronal signalling, immune cell modulation. Exosomes can also be used in cancer therapy, as they can be key players in intercellular communication and signalling. Experiments have also demonstrated that exosomes are chief players in viral persistence and dissemination. The reasons why application of exosomes in targeted therapy is gaining significance are their ability to initiate cellular responses, high tolerance levels in host cells and high efficiency in penetrating other cells. Exosomes can be used both as therapeutic agents and escorts of drugs. Even though numerous studies have been performed in search of better anticancer therapies, most of them have come to a halt due to the failure in achieving a therapy best in all parameters. However, both in vitro and in vivo application of exosomes in diagnosis and therapy of tumours are prospective and has a future.
Phase‐Transitions in Disgust During Self‐Initiated Eating Among Adolescents With Anorexia Nervosa and Related Low‐Weight Eating Disorders and Matched Controls
Authors: Hildebrandt Tom , Boyar Allison , Chen Xi , Holland Katherine , Silverman Elena , Webb Desiree , Wolk Sophia , Schulz Kurt , Sysko Robyn 
Published: July 2024

ABSTRACTBackgroundUnderstanding the emotional context of feeding behavior may help identify causal mechanisms of food avoidance among individuals with anorexia nervosa. Although predominant food avoidance models assume fear of fat drives feeding behavior, disgust may be more theoretically and proximally relevant to moment‐to‐moment experiences of feeding. This study, therefore, aimed to examine affect and food avoidance using automated affect analysis from facial response by measuring time‐specific transitions in disgust during a laboratory eating paradigm. We hypothesized that phase transitions in disgust would distinguish temporally self‐initiated eating from food avoidance.MethodsSixty‐three adolescents with anorexia nervosa or another low‐weight eating disorder (LWED) and 27 age‐ and sex‐matched controls were recruited as part of a larger study; 45 patients and 22 controls provided data on autonomous eating and facial affect during a laboratory meal. Dynamic structural equation models quantified moment‐to‐moment relationships between disgust and feeding behavior.ResultsSelf‐initiated eating was associated with greater increases in disgust, but not fear, intensity among those with LWED relative to control participants and greater disgust intensity predicted lower likelihood of self‐initiated eating.DiscussionPhasic transitions in disgust provide moment‐to‐moment evidence of affective influence on self‐initiated eating and lend credibility to the hypothesis that disgust contributes to food avoidance and initiation in individuals with LWED.