bluuebunny/crossref_metadata_2025_split huggingface dataset:
Insights into hydrophobicity‐tuned catalyst microenvironment in gas diffusion electrode for boosting CO2 electrolysis
Authors: Dong Lei , Yu Tingting , Sheng Xuedi , Ge Wangxin , Lian Cheng , Liu Honglai , Jiang Hongliang , Li Chunzhong 
Published: March 2024

AbstractCO2 electrolysis to value‐added chemicals and fuels shows tremendous potential to store renewable electricity. It features with H2O as the hydrogen source of CO2 electroreduction. Here, we aim at the effect of the hydrophobicity‐tuned catalyst microenvironment in gas diffusion electrode (GDE) on boosting CO2 electrolysis. The hydrophobic polytetrafluoroethylene (PTFE) nanoparticles are introduced in the Sn catalyst layer of GDE. The PTFE‐modified GDE compared to the non‐PTFE electrode delivers a higher HCOOH Faraday efficiency and lower overpotential at current densities of 50–250 mA cm−2. A two‐dimensional axisymmetric model jointly with electrochemical impedance spectroscopy is developed to provide mechanistic insights into the hydrophobicity regulation. The simulated polarization current densities are in keeping with experimental results. The boosted CO2 electrolysis is attributed to the decrease of the distance from the gas–liquid phase boundary to the electrocatalyst. The understanding of the catalyst microenvironment established here can be generalized to other gas‐involved electrocatalytic reactions.
Leveraging data‐driven strategy for accelerating the discovery of polyesters with targeted glass transition temperatures
Authors: He Xiaoying , Yu Mengxian , Han Jian‐Peng , Jiang Jie , Jia Qingzhu , Wang Qiang , Luo Zheng‐Hong , Yan Fangyou , Zhou Yin‐Ning 
Published: March 2024

AbstractTo overcome the limitations of empirical synthesis and expedite the discovery of new polymers, this work aims to develop a data‐driven strategy for profoundly aiding in the design and screening of novel polyester materials. Initially, we collected 695 polyesters with their associated glass transition temperatures (Tgs) to develop a quantitative structure–property relationship (QSPR) model. The model underwent rigorous validation (i.e., external validation, internal validation, Y‐random, and application domain analysis) to demonstrate its robust predictive capabilities and high stability. Subsequently, by employing an in‐silico retrosynthesis strategy, over 95,000 virtual polyesters were designed, largely expanding the available space for polyester material family. External assessments were performed, highlighting good extrapolation ability of the QSPR model. Furthermore, we experimentally synthesized 10 designed polyesters with predicted Tgs covering a large temperature range from −42.52 to 103.61°C, and characterization results gave an average absolute error of 17.40°C relative to the predicted ones. It is believed that such data‐driven approach can drive future product development of polymer industry.
TECPR2‐related hereditary sensory and autonomic neuropathy in two siblings from Palestine
Authors: Khalaf‐Nazzal Reham , Dweikat Imad , Ubeyratna Nishanka , Fasham James , Alawneh Maysa , Leslie Joseph , Maree Mosab , Gunning Adam , Zayed Deyala Z. , Voutsina Nikol , McGavin Lucy , Sawafta Reem , Owens Martina , Baker Wisam , Turnpenny Peter , Al‐Hijawi Fida’ , Baple Emma L. , Crosby Andrew H. , Rawlins Lettie E. 
Published: March 2024

AbstractDue to the majority of currently available genome data deriving from individuals of European ancestry, the clinical interpretation of genomic variants in individuals from diverse ethnic backgrounds remains a major diagnostic challenge. Here, we investigated the genetic cause of a complex neurodevelopmental phenotype in two Palestinian siblings. Whole exome sequencing identified a homozygous missense TECPR2 variant (Chr14(GRCh38):g.102425085G>A; NM_014844.5:c.745G>A, p.(Gly249Arg)) absent in gnomAD, segregating appropriately with the inheritance pattern in the family. Variant assessment with in silico pathogenicity prediction and protein modeling tools alongside population database frequencies led to classification as a variant of uncertain significance. As pathogenic TECPR2 variants are associated with hereditary sensory and autonomic neuropathy with intellectual disability, we reviewed previously published candidate TECPR2 missense variants to clarify clinical outcomes and variant classification using current approved guidelines, classifying a number of published variants as of uncertain significance. This work highlights genomic healthcare inequalities and the challenges in interpreting rare genetic variants in populations underrepresented in genomic databases. It also improves understanding of the clinical and genetic spectrum of TECPR2‐related neuropathy and contributes to addressing genomic data disparity and inequalities of the genomic architecture in Palestinian populations.
Behavioral thermoregulation in primates: A review of literature and future avenues
Authors: Thompson Cynthia L. , Hermann Emily A. 
Published: March 2024

AbstractPrimates face severe challenges from climate change, with warming expected to increase animals' thermoregulatory demands. Primates have limited long‐term options to cope with climate change, but possess a remarkable capacity for behavioral plasticity. This creates an urgency to better understand the behavioral mechanisms primates use to thermoregulate. While considerable information exists on primate behavioral thermoregulation, it is often scattered in the literature in a manner that is difficult to integrate. This review evaluates the status of the available literature on primate behavioral thermoregulation to facilitate future research. We surveyed peer‐reviewed publications on primate thermoregulation for N = 17 behaviors across four thermoregulatory categories: activity budgeting, microhabitat use, body positioning, and evaporative cooling. We recorded data on the primate taxa evaluated, support for a thermoregulatory function, thermal variable assessed, and naturalistic/manipulative study conditions. Behavioral thermoregulation was pervasive across primates, with N = 721 cases of thermoregulatory behaviors identified across N = 284 published studies. Most genera were known to utilize multiple behaviors ( = 4.5 ± 3.1 behaviors/genera). Activity budgeting behaviors were the most commonly encountered category in the literature (54.5% of cases), while evaporative cooling behaviors were the least represented (6.9% of cases). Behavioral thermoregulation studies were underrepresented for certain taxonomic groups, including lemurs, lorises, galagos, and Central/South American primates, and there were large within‐taxa disparities in representation of genera. Support for a thermoregulatory function was consistently high across all behaviors, spanning both hot‐ and cold‐avoidance strategies. This review reveals asymmetries in the current literature and avenues for future research. Increased knowledge of the impact thermoregulatory behaviors have on biologically relevant outcomes is needed to better assess primate responses to warming environments and develop early indicators of thermal stress.
Attenuating N‐Oxyl Decomposition for Improved Hydrogen Atom Transfer Catalysts
Authors: Yang Cheng , Farmer Luke A. , McFee Elvis C. , Jha Rahul Kant , Maldonado Stephen , Pratt Derek A. , Stephenson Corey R. J. 
Published: March 2024

AbstractThe design of N‐oxyl hydrogen atom transfer catalysts has proven challenging to date. Previous efforts have focused on the functionalization of the archetype, phthalimide‐N‐oxyl. Driven in part by the limited options for modification of this structure, this strategy has provided only modest improvements in reactivity and/or solubility. Our previous mechanistic efforts suggested that while the electron‐withdrawing carbonyls of the phthalimide are necessary to maximize the O−H bond dissociation enthalpy of the HAT product hydroxylamine and overall reaction thermodynamics, they undergo nucleophilic substitution leading to catalyst decomposition. In an attempt to minimize this vulnerability, we report the characterization of N‐oxyl catalysts wherein the aryl ring in PINO is replaced with the combination of a substituted heteroatom and quaternary carbon. By rendering one carbonyl carbon less electrophilic and the other less sterically accessible, the corresponding N1‐aryl‐hydantoin‐N3‐oxyl radical showed significantly higher stability than PINO as well as a modest improvement in reactivity. This proof‐of‐principle in new scaffold design may accelerate future HAT catalyst discovery and development.
Effective C4 Separation by Zeolite Metal–Organic Framework Composite Membranes
Authors: Ao De , Yang Zibo , Chen Aibing , Sun Yuxiu , Ye Mao , Tian Lei , Cen Xixi , Xie Zixi , Du Juan , Qiao Zhihua , Cheetham Anthony K. , Hou Jingwei , Zhong Chongli 
Published: March 2024

AbstractInorganic zeolites have excellent molecular sieving properties, but they are difficult to process into macroscopic structures. In this work, we use metal–organic framework (MOF) glass as substrates to engineer the interface with inorganic zeolites, and then assemble the discrete crystalline zeolite powders into monolithic structures. The zeolites are well dispersed and stabilized within the MOF glass matrix, and the monolith has satisfactory mechanical stabilities for membrane applications. We demonstrate the effective separation performance of the membrane for 1,3‐butadiene (C4H6) from other C4 hydrocarbons, which is a crucial and challenging separation in the chemical industry. The membrane achieves a high permeance of C4H6 (693.00±21.83 GPU) and a high selectivity over n‐butene, n‐butane, isobutene, and isobutane (9.72, 9.94, 10.31, and 11.94, respectively). This strategy opens up new possibilities for developing advanced membrane materials for difficult hydrocarbon separations.
Dienes as Versatile Substrates for Transition Metal‐Catalyzed Reactions
Authors: Canfield Amanda M. , Rodina Dasha , Paradine Shauna M. 
Published: March 2024

AbstractDienes have been of great interest to synthetic chemists as valuable substrates due to their abundance and ease of synthesis. Their unique stereoelectronic properties enable broad reactivity with a wide range of transition metals to construct molecular complexity facilitating synthesis of biologically active compounds. In addition, structural diene variation can result in substrate‐controlled reactions, providing valuable mechanistic insights into reactivity and selectivity patterns. The last decade has seen a wealth of new methodologies involving diene substrates through the power of transition metal catalysis. This review summarizes recent advances and remaining opportunities for transition metal‐catalyzed transformations involving dienes.
Overcoming Thermal Quenching in X‐ray Scintillators through Multi‐Excited State Switching
Authors: Wang Min , Zhang Zhongbo , Lyu Jing , Qiu Jian , Gu Chang , Zhao He , Wang Tao , Ren Yiwen , Yang Shuo‐Wang , Qin Xu Guo , Liu Xiaogang 
Published: March 2024

AbstractX‐ray scintillators have gained significant attention in medical diagnostics and industrial applications. Despite their widespread utility, scintillator development faces a significant hurdle when exposed to elevated temperatures, as it usually results in reduced scintillation efficiency and diminished luminescence output. Here we report a molecular design strategy based on a hybrid perovskite (TpyBiCl5) that overcomes thermal quenching through multi‐excited state switching. The structure of perovskite provides a platform to modulate the luminescence centers. The rigid framework constructed by this perovskite structure stabilized its triplet states, resulting in TpyBiCl5 exhibiting an approximately 12 times higher (45 % vs. 3.8 %) photoluminescence quantum yield of room temperature phosphorescence than that of its organic ligand (Tpy). Most importantly, the interactions between the components of this perovskite enable the mixing of different excited states, which has been revealed by experimental and theoretical investigations. The TpyBiCl5 scintillator exhibits a detection limit of 38.92 nGy s−1 at 213 K and a detection limit of 196.31 nGy s−1 at 353 K through scintillation mode switching between thermally activated delayed fluorescence and phosphorescence. This work opens up the possibility of solving the thermal quenching in X‐ray scintillators by tuning different excited states.
Preparation of hollow carbon nanospheres from oxidation of spent tyre oil‐derived carbon black in air
Authors: Okoye Chiemeka Onyeka , Zhang Zhezi , Zhang Dongke 
Published: March 2024

AbstractHollow carbon nanospheres (HCNS) were prepared from carbon black (CB) derived from spent tyre pyrolysis oil. The pristine CB produced by partial oxidation of the pyrolysis oil in a drop tube furnace was subsequently oxidised in air in a fixed bed reactor to yield HCNS. The effect of oxidation temperature (300 to 700°C) and time (1 to 8 h) on the burn‐off (Bt) of the sample over the duration (t) of oxidation and average reaction rate (Rt) was assessed. The BET surface area and pore volume and the nanostructure of the HCNS samples obtained were characterised using N2 adsorption–desorption and high‐resolution transmission electron microscope (HRTEM) techniques, respectively. Higher temperature and longer oxidation time led to higher Bt. As Bt increased, the BET surface area and pore volume initially increased linearly due to the removal of the amorphous core and then decreased because of the collapse of the shell of the carbon nanostructure. At Bt of ~56%, the maximum BET surface area and pore volume of the HCNS were 383.2 m2 g−1 and 0.39 cm3 g−1, respectively, compared to ~19.5 m2 g−1 and 0.033 cm3 g−1 of the pristine CB. The HRTEM images indicate that the change in BET surface area corresponds to the formation of the HCNS, as the core of the CB particle was preferentially consumed to create a hollow structure. The formation of HCNS follows an internal oxidation model, which is characterised by rapid core consumption and relatively slow shell consumption.
Thermoelectric composite structure with desirable mechanical properties for high‐performance multi‐functional applications
Authors: Iraji Sahar , Valipouri Afsaneh , Hosseini Ravandi Seyed Abdolkarim , Alsikh Abdulkarim 
Published: March 2024

AbstractThermoelectric (TE) structures based on energy harvesting technology have played a vital role in wide‐reaching applications. In this study, a composite structure consisting of a glass fabric covered with a nanocomposite membrane (polyacrylonitrile [PAN]/carbon nanotube [CNT]/copper oxide nanoparticle [CuO]) was prepared to provide thermoelectric conversion. The performance of the TE composite structure was evaluated by analyzing the mechanical properties, thermoelectric properties, and the ability of the structure to power small electronic equipment. The results showed that the nanocomposite membrane was effective in improving the electrical properties, whereas the glass fabric could significantly suppress the thermal conductivity. The results suggest that the glass fabric covered with nanocomposite fibers containing nanofillers (15 wt% CNT & 15 wt% CuO) has a high potential to enhance the resistance against external force by 56% on average, compared to the uncovered glass fabric. Besides the power factor of the TE composite structure can reach up to 19.61 μW m−1 K−2, which can power an output voltage of 3.2 V at a temperature difference from 20 to 80°C.
Sanierung der Drainage‐ und Kontrollbohrungen im Untergrund der Sorpetalsperre
Authors: Kreutzer Matthias , Last Katja , Demisch Gabriele , Reitmayer Elisabeth 
Published: March 2024

AbstractUm die Tragfähigkeit des Absperrbauwerks der Sorpetalsperre langfristig zu gewährleisten, saniert der Ruhrverband das nicht mehr vollständig funktionsfähige Drainage‐ und Kontrollsystem im Untergrund. Der von 1926 bis 1935 erbaute, 69 m hohe Steinschüttdamm mit Betonkerndichtung wurde während des Zweiten Weltkriegs beschädigt, was zu erhöhten Sickerwassermengen im Kontrollgang führte. In den 1950er‐Jahren wurde daraufhin das ursprüngliche Drainagesystem verpresst und ein neues System erstellt. In den 2010er‐Jahren ist festgestellt worden, dass diese Bohrungen im Felsuntergrund nicht mehr über ihre ursprüngliche Tiefe verfügen, da sie durch eisen‐ und manganhaltige Sedimente verstopft sind. Im Rahmen der aktuellen Sanierung werden die vorhandenen Drainage‐ und Kontrollbohrungen entweder bohrtechnisch aufgeweitet oder mit Zementsuspension verfüllt und durch neue Bohrprofile ersetzt. Anschließend werden alle Bohrungen zu Messstellen zur Erfassung des Wasserstands, des Sickerwassers und des Drucks ausgebaut. Die Durchführung der Bohrarbeiten stellt aufgrund der beengten Platzverhältnisse innerhalb des Absperrbauwerks eine besondere Herausforderung dar. Im Juli 2022 ist die Sanierung wegen des Antreffens von PAK‐haltigem chemischen Injektionsmitteln in einer Bohrung vorübergehend gestoppt worden. Die Arbeiten werden voraussichtlich im ersten Quartal 2024 im Schwarz‐Weiß‐Prinzip mit künstlicher Bewetterung und einer Flockungs‐ und Aktivkohlefilteranlage zur Reinigung der Bohrspülung fortgesetzt.
Haltung zur Erhaltung
Authors: Kunz Claus 
Published: March 2024

AbstractWasserbauwerke sind seit alters als langlebige Infrastrukturgüter konzipiert worden, was sich auch in aktuellen Regelwerken für neue Bauwerke widerspiegelt. Klimawandel und Klimaschutz bestätigen die Anforderungen nach dauerhaften Bauwerken mit einer möglichst langen Nutzungsdauer. Bestehende Wasserbauwerke sollten dieser Zielsetzung entsprechen und so lange erhalten werden, wie es technisch, betrieblich, wirtschaftlich und ökologisch sinnvoll ist. Die Erhaltung sollte nicht nur das Erreichen der geplanten Nutzungsdauer gewährleisten, sondern darüber hinaus eine Nutzungsdauerverlängerung bewirken. Diese kann bspw. durch realistischere statische Nachweise der Bauwerke, durch Wartung und durch optimierte Instandsetzungen erreicht werden.
Platform development for high‐throughput optimization of perfusion processes—Part II: Variation of perfusion rate strategies in microwell plates
Authors: Dorn Marie , Lucas Ciara , Klottrup‐Rees Kerensa , Lee Ken , Micheletti Martina 
Published: March 2024

AbstractThe biopharmaceutical industry is replacing fed‐batch with perfusion processes to take advantage of reduced capital and operational costs due to the operation at high cell densities (HCD) and improved productivities. HCDs are achieved by cell retention and continuous medium exchange, which is often based on the cell‐specific perfusion rate (CSPR). To obtain a cost‐productive process the perfusion rate must be determined for each process individually. However, determining optimal operating conditions remain labor‐intensive and time‐consuming experiments, as investigations are performed in lab‐scale perfusion bioreactors. Small‐scale models such as microwell plates (MWPs) provide an option for screening multiple perfusion rates in parallel in a semi‐perfusion mimic. This study investigated two perfusion rate strategies applied to the MWP platform operated in semi‐perfusion. The CSPR‐based perfusion rate strategy aimed to maintain multiple CSPR values throughout the cultivation and was compared to a cultivation with a perfusion rate of 1 RV d−1. The cellular performance was investigated with the dual aim (i) to achieve HCD, when inoculating at conventional and HCDs, and (ii) to maintain HCDs, when applying an additional manual cell bleed. With both perfusion rate strategies viable cell concentrations up to 50 × 106 cells mL−1 were achieved and comparable results for key metabolites and antibody product titers were obtained. Furthermore, the combined application of cell bleed and CSPR‐based medium exchange was successfully shown with similar results for growth, metabolites, and productivities, respectively, while reducing the medium consumption by up to 50% for HCD cultivations.
Regulated cell death‐amplified sonodynamic anti‐tumor immune nanotherapeutics
Authors: Zhou Liqiang , Chen Yangmengfan , Xie Dong , Li Kun , Cui Xinwu , Dietrich Christoph F. , Nüssler Andreas K. , Zhang Xuanjun 
Published: March 2024

AbstractNanomedicine‐assisted sonodynamic therapy (SDT) has emerged as one of the most promising cancer therapies due to its unique advantages of high penetration, non‐radiation, and excellent oxidative stress effect, but has always suffered from the self‐protection mechanism and apoptosis resistance characteristics of evolutionarily mutated cancer cells. Regulated cell death (RCD) has received increasing attention in precision cancer treatments because of its significant role in synergistically sensitizing apoptosis and reversing the immunosuppressive microenvironment during SDT nanomedicine‐triggered immunogenic cell death. Herein, paradigmatic research of RCD‐augmented sonodynamic tumor immunotherapeutics are typically introduced, such as autophagy blockade, ferroptosis targeting, pyroptosis induction, necroptosis initiation, cuproptosis actuation, PANoptosis trigger, and the coordinated anti‐tumor mechanisms are discussed in detail. Multiple analysis focusing on the currently unsolved problems and future development prospects of RCD‐based SDT nano‐oncology medicine are also discussed and prospected to further strengthen and expand the scope of its therapeutic applications.
Biodiversity management and stock price crash risk
Authors: Bassen Alexander , Buchholz Daniel , Lopatta Kerstin , Rudolf Anna R. 
Published: March 2024

AbstractThis study explores the link between corporate biodiversity management and the risk of sudden declines in future stock prices, an area largely overlooked in empirical research despite the societal significance of biodiversity loss. We posit that robust corporate biodiversity efforts mitigate the suppression of negative information, consequently reducing the risk of abrupt stock price declines. Leveraging a global dataset and innovative biodiversity management metrics from Moody's ESG Solutions (former Vigero Eiris), our multivariate regression analysis demonstrates that companies with stronger biodiversity structures and actions exhibit lower stock price crash risk. In an additional analysis, we focus on environmental inspections as a possible conduit for releasing negative information on biodiversity management. Using a subsample of North American firms that were inspected by the U.S. Environmental Protection Agency (EPA), we find that firms which experience an inspection record an increase in their stock price crash risk.