bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bifunctional Manipulation of Terahertz Waves with High‐Efficiency Transmissive Dielectric Metasurfaces
Authors: Wang Zhuo , Yao Yao , Pan Weikang , Zhou Haoyang , Chen Yizhen , Lin Jing , Hao Jiaming , Xiao Shiyi , He Qiong , Sun Shulin , Zhou Lei 
Published: December 2022

AbstractMultifunctional terahertz (THz) devices in transmission mode are highly desired in integration‐optics applications, but conventional devices are bulky in size and inefficient. While ultra‐thin multifunctional THz devices are recently demonstrated based on reflective metasurfaces, their transmissive counterparts suffer from severe limitations in efficiency and functionality. Here, based on high aspect‐ratio silicon micropillars exhibiting wide transmission‐phase tuning ranges with high transmission‐amplitudes, a set of dielectric metasurfaces is designed and fabricated to achieve efficient spin‐multiplexed wavefront controls on THz waves. As a benchmark test, the photonic‐spin‐Hall‐effect is experimentally demonstrated with a record high absolute efficiency of 92% using a dielectric metasurface encoded with geometric phases only. Next, spin‐multiplexed controls on circularly polarized THz beams (e.g., anomalous refraction and focusing) are experimentally demonstrated with experimental efficiency reaching 88%, based on a dielectric meta‐device encoded with both spin‐independent resonant phases and spin‐dependent geometric phases. Finally, high‐efficiency spin‐multiplexed dual holographic images are experimentally realized with the third meta‐device encoded with both resonant and geometric phases. Both near‐field and far‐field measurements are performed to characterize these devices, yielding results in agreement with full‐wave simulations. The study paves the way to realize multifunctional, high‐performance, and ultra‐compact THz devices for applications in biology sensing, communications, and so on.
Recent Advances of Transition Metal Sulfides/Selenides Cathodes for Aqueous Zinc‐Ion Batteries
Authors: Shuai Honglei , Liu Renzhi , Li Wenxuan , Yang Xiaojian , Lu Hui , Gao Yongping , Xu Jing , Huang Kejing 
Published: December 2022

AbstractRechargeable aqueous zinc‐ion batteries (ZIBs) have aroused tremendous attention in energy storage system due to their high safety, eco‐friendliness, low cost, and for their good compatibility. Transition metal sulfides and selenides are considered to be promising cathodes for aqueous ZIBs owing to their unique layered structure and tunable interlayer spacing for the accelerating diffusion and reversible intercalation of hydrated Zn2+. However, their practical applications are severely impeded by some defects, such as the inferior electronic conductivity, large ion diffusion energy barrier, and bad cyclic stability. In this review, the various modification strategies including phase engineering, defect engineering, interlayer intercalation, in situ electrochemical oxidation, hybridization, doping effects, and surface modification are categorized and highlighted to improve the electrochemical properties of transition metal sulfides and selenides cathode materials, which are discussed and summarized corresponding to particular modification strategies. Finally, several key breakthrough directions such as mechanism exploration technology, electrolyte strategies, synergistic engineering, high‐capacity conversion‐type, high‐voltage cathode materials, and rocking‐chair type batteries are proposed to further push forward the development of aqueous ZIBs, to guide the design of advanced‐properties cathode materials for aqueous ZIBs.
Is Nonflammability of Electrolyte Overrated in the Overall Safety Performance of Lithium Ion Batteries? A Sobering Revelation from a Completely Nonflammable Electrolyte
Authors: Jia Hao , Yang Zhijie , Xu Yaobin , Gao Peiyuan , Zhong Lirong , Kautz David J. , Wu Dengguo , Fliegler Ben , Engelhard Mark H. , Matthews Bethany E. , Broekhuis Benjamin , Cao Xia , Fan Jiang , Wang Chongmin , Lin Feng , Xu Wu 
Published: December 2022

AbstractIt has been widely assumed that the flammability of the liquid electrolyte is one of the most influential factors that determine the safety of lithium‐ion batteries (LIBs). Following this consideration, a completely nonflammable electrolyte is designed and adopted for graphite||LiFePO4 (Gr||LFP) batteries. Contrary to the conventional understanding, the completely nonflammable electrolyte with phosphorus‐containing solvents exhibits inferior safety performance in commercial Gr||LFP batteries, in comparison to the flammable conventional LiPF6‐organocarbonate electrolyte. Mechanistic studies identify the exothermic reactions between the electrolyte (especially the salt LiFSI) and the charged electrodes as the “culprit” behind this counterintuitive phenomenon. The discovery emphasizes the importance of reducing the electrolyte reactivity when designing safe electrolytes, as well as the necessity of evaluating safety performance of electrolytes on a battery level.
Thermal Activation of PEDOT:PSS/PM6:Y7 Based Films Leads to Unprecedent High Short‐Circuit Current Density in Nonfullerene Organic Photovoltaics
Authors: Moustafa Enas , Méndez Maria , Sánchez José G. , Pallarès Josep , Palomares Emilio , Marsal Lluis F. 
Published: December 2022

AbstractFinding an effective approach to suppress trap formation is a potential route for enhancing the performance of nonfullerene organic photovoltaic (NF‐OPVs) devices. Here, an extraordinary short‐circuit current density (JSC) value of 32.65 mA cm‐2 is achieved, higher than the state‐of‐the art NF‐OPVs reported, reaching a high power conversion efficiency (PCE) of 17.92%. This remarkable enhancement is exhibited through the fine‐tuning of PEDOT:PSS/PM6:Y7 films and interface morphologies via applying the prethermal treatment approach (Pre‐TT) to the devices, which exhibit JSC and PCE enhancement of 21% and 8%, respectively, compared to the pristine devices. Accordingly, the dependence of the JSC upon the Pre‐TT approach through a range of morphological, optical, electrical, and advanced transient measurements is investigated. The Pre‐TT‐based films are found to possess optimal smooth blend morphology with better dispersity owing to reduced domain size. Moreover, the measurements show that the optimized treated devices present higher exciton dissociation probabilities and generation rate of the free charge carriers, showing an ideal balanced electron/hole mobility that reveals the JSC and PCE enhancement. Hence, Pre‐TT approach provides a facile passivation strategy that reduces the trap state density of the blend film, improves interface charge transfer, allows balanced electron/hole mobility, and thus promotes device performance.
Device Performance of Emerging Photovoltaic Materials (Version 3)
Authors: Almora Osbel , Baran Derya , Bazan Guillermo C. , Cabrera Carlos I. , Erten‐Ela Sule , Forberich Karen , Guo Fei , Hauch Jens , Ho‐Baillie Anita W. Y. , Jacobsson T. Jesper , Janssen Rene A. J. , Kirchartz Thomas , Kopidakis Nikos , Loi Maria A. , Lunt Richard R. , Mathew Xavier , McGehee Michael D. , Min Jie , Mitzi David B. , Nazeeruddin Mohammad K. , Nelson Jenny , Nogueira Ana F. , Paetzold Ulrich W. , Rand Barry P. , Rau Uwe , Snaith Henry J. , Unger Eva , Vaillant‐Roca Lídice , Yang Chenchen , Yip Hin‐Lap , Brabec Christoph J. 
Published: December 2022

AbstractFollowing the 2nd release of the “Emerging PV reports,” the best achievements in the performance of emerging photovoltaic devices in diverse emerging photovoltaic research subjects are summarized, as reported in peer‐reviewed articles in academic journals since August 2021. Updated graphs, tables, and analyses are provided with several performance parameters, e.g., power conversion efficiency, open‐circuit voltage, short‐circuit current density, fill factor, light utilization efficiency, and stability test energy yield. These parameters are presented as a function of the photovoltaic bandgap energy and the average visible transmittance for each technology and application, and are put into perspective using, e.g., the detailed balance efficiency limit. The 3rd installment of the “Emerging PV reports” extends the scope toward triple junction solar cells.
Machine learning enabled integrated formulation and process design framework for a pharmaceutical 3D printing platform
Authors: Sundarkumar Varun , Nagy Zoltan K. , Reklaitis Gintaras V. 
Published: December 2022

AbstractThe pharmaceutical manufacturing sector needs to rapidly evolve to absorb the next wave of disruptive industrial innovations—Industry 4.0. This involves incorporating technologies like artificial intelligence and 3D printing (3DP) to automate and personalize the drug production processes. This study aims to build a formulation and process design (FPD) framework for a pharmaceutical 3DP platform that recommends operating (formulation and process) conditions at which consistent drop printing can be obtained. The platform used in this study is a displacement‐based drop‐on‐demand 3D printer that manufactures dosages by additively depositing the drug formulation as droplets on a substrate. The FPD framework is built in two parts: the first part involves building a machine learning model to simulate the forward problem—predicting printer operation for given operating conditions and the second part seeks to solve and experimentally validate the inverse problem—predicting operating conditions that can yield desired printer operation.
Mass transfer characterization for hydrocarbon liquid–particle collision based on sensitive tracing of fluorescent probe
Authors: Xu Liuqing , Sun Jingyuan , Wang Jingdai , Zhao Weijun , Yang Yongrong 
Published: December 2022

AbstractThe heat and mass transfer characteristics during the collision process of hydrocarbon droplets and polyethylene particles in a liquid‐containing gas–solid polyethylene fluidized bed reactor significantly affect the product quality. In this work, the mass transfer process of single‐component hydrocarbon and bi‐component hydrocarbon liquid films on the polyethylene particle surface were quantitatively characterized by a newly developed experimental approach, based on a novel synthesized hydrocarbon liquid soluble fluorescent probe for sensitive tracing of hydrocarbon liquid diffusion. It was found that the boiling point and surface tension of the liquid as well as the surface temperature of the particle are the key factors affecting the mass transfer properties of the liquid film. Marangoni convection was observed and characterized on the particle surface. The critical time for the onset of Marangoni flow is between 4 and 8 s.
Progressive brain atrophy and severe neurodevelopmental phenotype in siblings with biallelic COASY variants
Authors: Rosati Justin , Johnson Jessica , Stander Zinandre , White Amy , Tortorelli Silvia , Bailey Diana , Fong Chin‐To , Lee Bo Hoon 
Published: December 2022

AbstractBiallelic pathogenic variants in the COASY gene have been associated with two distinct disease phenotypes, that is, COASY‐protein associated neurodegeneration (CoPAN) and pontocerebellar hypoplasia type 12 (PCH 12). We present two siblings that independently presented with significant hypotonia and respiratory insufficiency at birth. Comprehensive genetic testing revealed homozygous variants within COASY, however, the progressive clinical and neuroradiologic findings described here are unique and have not been described previously. Magnetic resonance imaging showed progressive diffuse parenchymal loss throughout the bilateral cerebral hemispheres and atrophy of the basal ganglia and brainstem. As such, this article brings forth two additional cases of COASY‐related disorder with abnormal newborn screening acylcarnitine profiles resembling carnitine palmitoyl transferase 1a (CPT1a) deficiency in two siblings who presented at birth with contractures, marked hypotonia and absent respiratory drive.
A multifaceted exploration of ontogenetic variation in vertebral neural canal size across contemporary populations
Authors: Corron Louise K. , Wolfe Christopher A. , Stull Kyra E. 
Published: December 2022

AbstractObjectivesVertebral neural canal (VNC) dimensions are considered a reliable indicator of childhood stress. However, no study has characterized variation in VNC size or shape or the impact of extrinsic or intrinsic factors on their range of variation. The present study explores VNC dimensions of subadult samples varying in chronology, population of origin, geography, and socioeconomic backgrounds.Materials and MethodsAntero‐posterior (AP) and transverse (TR) diameters were measured on the tenth thoracic to the fifth lumbar vertebrae of 1404 contemporary individuals aged between birth and 22 years from Colombia (N = 28), France (N = 484), the Netherlands (N = 23), Taiwan (N = 31), and the United States (N = 838), and compared to lumbar diameters of subadults from the Spitalfields collection (N = 84) and the East Smithfield cemetery (N = 65). VNC variation was evaluated with skeletal growth profiles, principal component analyses (PCA), MANOVAs and ANOVAs.ResultsAP diameter growth ends during childhood, while TR diameter growth progressively slows before ending in adolescence. The Colombian sample presented the smallest VNC diameters compared to the other contemporary and historic samples. VNC shape (AP/TR ratio) was similar in contemporary samples. MANOVAs and ANOVAs revealed significant differences in VNC size according to country of origin and socio‐economic status, primarily differentiating the Colombian sample.DiscussionThe overall consistency in size and shape among groups is remarkable. While physiological stress may contribute to variability in VNC size, intrinsic ontogenetic processes and other individual and environmental factors also influence variability in VNC size.
Untersuchung des Häm‐bindenden bakteriellen Proteoms mittels chemischer Proteomik
Authors: Wilkinson Isabel V. L. , Bottlinger Max , El Harraoui Yassmine , Sieber Stephan A. 
Published: December 2022

AbstractHäm ist ein Cofaktor mit unzähligen Funktionen, der für fast alle lebenden Organismen essentiell ist. Neben dem klassischen Transport von Gasen und katalytischen Funktionen wird Häm zunehmend als streng kontrolliertes Signalmolekül wahrgenommen, das die Proteinexpression reguliert. Häm‐Akquisition, ‐Biosynthese und ‐Regulation sind jedoch nur in wenigen Modellorganismen gut erforscht und darüber hinaus ist das Häm‐bindende Proteom in Bakterien noch nicht vollständig charakterisiert. Da die Häm‐Homöostase jedoch für das Überleben von Bakterien essentiell ist, sind Häm‐bindende Proteine vielversprechende Angriffspunkte für Medikamente. In dieser Publikation beschreiben wir eine chemische Proteomik Methode für die umfassende Untersuchung des Häm‐bindenden Proteoms in lebenden Zellen. Der Einsatz einer Auswahl von sowohl klickbaren Häm‐basierten Sonden und Photoaffinitätssonden ermöglichte die Untersuchung von bis zu 32–54 % des bereits bekannten Häm‐bindenden Proteoms in grampositiven und gramnegativen Bakterien. Diese einfach zu implementierende Methode könnte auf verschiedene Zelltypen und Systeme angewandt werden und die künftige Erforschung im Feld der Häm Biologie vorantreiben.
Bidirectional Tandem Electrocatalysis Manipulated Sulfur Speciation Pathway for High‐Capacity and Stable Na‐S Battery
Authors: Zhang Hong , Song Bin , Zhang Weiwei , An Bowen , Fu Lin , Lu Songtao , Cheng Yingwen , Chen Qianwang , Lu Ke 
Published: December 2022

AbstractThe sluggish polysulfide redox kinetics and the uncontrollable sulfur speciation pathway, leading to serious shuttling effect and high activation barrier associated with sulfur cathode. We describe here the use of core–shell structured composite matrixes containing abundant catalytic sites for nearly fully reversible cycling of sulfur cathodes for Na‐S batteries. The bidirectional tandem electrocatalysis provide successive reversible conversion of both long‐ and short‐chain polysulfides, whereas Fe2O3 accelerates Na2S8/Na2S6 to Na2S4 conversion and the redox‐active Fe(CN)64−‐doped polypyrrole shell catalyzes Na2S4 reduction to Na2S. The electrochemically reactive Na2S can be readily charged back to sulfur with minimal overpotential. Simultaneously, stable cycling of Na‐S pouch cell with a high reversible capacity of 696 mAh g−1 is also demonstrated. The bidirectional confined tandem catalysis renders the manipulation of sulfur redox electrochemistry for practical Na‐S cells.
Electronic Control of the Scholl Reaction: Selective Synthesis of Spiro vs Helical Nanographenes
Authors: Izquierdo‐García Patricia , Fernández‐García Jesús M. , Perles Josefina , Fernández Israel , Martín Nazario 
Published: December 2022

AbstractScholl oxidation has become an essential reaction in the bottom‐up synthesis of molecular nanographenes. Herein, we describe a Scholl reaction controlled by the electronic effects on the starting substrate (1 a, b). Anthracene‐based polyphenylenes lead to spironanographenes under Scholl conditions. In contrast, an electron‐deficient anthracene substrate affords a helically arranged molecular nanographene formed by two orthogonal dibenzo[fg,ij]phenanthro‐[9,10,1,2,3‐pqrst]pentaphene (DBPP) moieties linked through an octafluoroanthracene core. Density Functional Theory (DFT) calculations predict that electronic effects control either the first formation of spirocycles and subsequent Scholl reaction to form spironanographene2, or the expected dehydrogenation reaction leading solely to the helical nanographene3. The crystal structures of four of the new spiro compounds (syn2,syn9,anti9andsyn10) were solved by single crystal X‐ray diffraction. The photophysical properties of the new molecular nanographene3reveal a remarkable dual fluorescent emission.
Mechanical and radiation shielding properties of SWCNT reinforced polymer/glass fiber fabric‐based nanocomposite containing different filler materials: A comparative study
Authors: Sürücü Ali Murat , Subaşı Serkan , Danish Aamar , Gencel Osman , Subaşı Azime , Ozbakkaloglu Togay 
Published: December 2022

AbstractIn this study, polymer/glass fiber fabric‐based nanocomposite plates were fabricated with 0.01%–0.1% single‐walled carbon nanotubes (SWCNTs) and filler materials (barite, magnetite, and colemanite) using a hand layup process. Mechanical properties (e.g., tensile strength, flexural strength, and Charpy impact strength), thermal conductivity, and radiation shielding properties (e.g., gamma radiation and neutron radiation) of the specimens were determined. The results revealed that the specimens containing barite and magnetite managed to exhibit adequate mechanical properties (especially Charpy impact strength). Among different filler materials used, barite‐filled specimens outperformed colemanite and magnetite‐filled specimens in terms of mechanical properties. The mechanical performance of filler‐modified specimens can be further enhanced by adopting efficient dispersion techniques to disperse filler material and SWCNTs throughout the composite plates. The thermal conductivity of barite, magnetite, and colemanite‐filled specimens (with/without SWCNTs) increased by 30.56%–60% as compared to specimens only containing SWCNTs and neat polymer, which avoids the accumulation of heat required for radiation shielding applications. Similar to thermal conductivity, specimens containing filler materials (with and without SWCNTs) provided higher gamma and neutron radiation shielding properties as compared to neat polymer‐ and SWCNT‐modified specimens. In the case of gamma and neutron radiation shielding, barite‐ and colemanite‐filled specimens provided better results, respectively.
High resistivity‐temperature effect of resistivity for economical and facile conductive polymer composites with low percolation threshold via self‐constructed dual continuous structure
Authors: Zhao Lei , Feng Yunhu , Zou Jian , Zhang Peng 
Published: December 2022

AbstractIn this work, electrically conductive polyethylene/polypropylene‐flake graphite composites with different ratios (HDPE/PP‐FG) were prepared by simple mechanical blending (Mec) and melt blending (Mel) technologies, combining with the grinding technique. According to the effect of preparation technique, dual continuous microstructures for Mec‐HDPE/PP‐FG composites were self constructed by controlling specific molding temperature. As a result, the percolation threshold of 1.33 wt% of Mec‐HDPE1/PP4‐FG was achieved, much lower than that of Mel‐HDPE1/PP4‐FG (7.02 wt%) and the maximum in conductivity was over 10−3 S/m at about FG content of 6 wt%. However, Mel‐HDPE1/PP4‐FG only showed the electrical conductivity of about 8.0 × 10−11 S/m when FG content was 6 wt%. Meanwhile, Mec‐HDPE/PP‐FG composites presented obvious positive temperature coefficient (PTC) effect of electrical resistivity, without negative temperature coefficient (NTC) effect and PTC intensity was up to 6.57 orders of magnitude, far higher than those of Mel‐HDPE/PP‐FG composites. In addition, the excellent repeatability in PTC behaviors for Mec‐HDPE/PP‐FG was achieved after several run cycles. Therefore, the study on economical and facile polymer materials with high performance PTC characteristics had the great significance in practical application.
Curcumenol improves renal function in 5/6 nephrectomy‐induced chronic renal failure rats via the SIRT1/NF‐κB pathway
Authors: Zhong Guanghui , Cai Xudong , Wei Renxiong , Wei Sheng , Cao Xiaodan 
Published: December 2022

AbstractThe present work aimed to explore the protective effects of curcumenol and evaluate its pharmacological mechanisms in 5/6 nephrectomy‐induced chronic renal failure (CRF). Rats with CRF were administrated curcumenol and the effects on renal functions were investigated. Renal function examinations were carried out, whereas serum levels of inflammatory mediators, including NF‐κB, MCP‐1 and IL‐1β were analyzed by ELISA. The mRNA expression levels of SIRT1, p65 and IκBα were measured by qRT‐PCR, and the SIRT1 protein levels were analyzed by western blot and immunohistochemistry. Our results indicated that curcumenol significantly improved the renal functions in the CRF rats. Compared to the sham group, serum levels of NF‐κB, MCP‐1, IL‐1β, and the mRNA expression levels of p65 were significantly increased (p < 0.01), whereas the mRNA expression level of IκBα was significantly decreased (p < 0.01) and the SIRT1 levels were dramatically down‐regulated (p < 0.05) in the CRF groups. Treatment with curcumenol remarkably inhibited inflammatory responses as reflected by the reduced levels of inflammatory mediators (p < 0.01) and SIRT1 up‐regulation (p < 0.05). Our findings suggested that curcumenol could improve the renal function in 5/6 nephrectomy‐induced CRF rats, and the mechanisms might involve suppressing the associated inflammation and modulating the SIRT1 and NF‐κB signaling pathways.