bluuebunny/crossref_metadata_2025_split huggingface dataset:
Top Stack Optimization for Cu2BaSn(S, Se)4 Photovoltaic Cell Leads to Improved Device Power Conversion Efficiency beyond 6%
Authors: Teymur Betul , Kim Yongshin , Huang Jialiang , Sun Kaiwen , Hao Xiaojing , Mitzi David B. 
Published: September 2022

AbstractEarth‐abundant and air‐stable Cu2BaSnS4−xSex (CBTSSe) and related thin‐film absorbers are regarded as prospective options to meet the increasing demand for low‐cost solar cell deployment. Devices based on vacuum‐deposited CBTSSe absorbers have achieved record power conversion efficiency (PCE) of 5.2% based on a conventional device structure using CdS buffer and i‐ZnO/indium tin oxide (ITO) window layers, with open‐circuit voltage (VOC) posing the major bottleneck for improving solar cell performance. The current study demonstrates a >20% improvement in VOC (from 0.62 to 0.75 V) and corresponding enhancement in PCE (from 5.1% to 6.2% without antireflection coating; to 6.5% with MgF2 antireflection coating) for solution‐deposited CBTSSe solar cells. This performance improvement is realized by introducing an alternative successive ionic layer adsorption and reaction‐deposited Zn1−xCdxS buffer combined with sputtered Zn1−xMgxO/Al‐doped ZnO window/top contact layer, which offers lower electron affinities relative to the conventional CdS/i‐ZnO/ITO stack and better matching with the low electron affinity of CBTSSe. A combined experimental (temperature‐ and light intensity‐dependent VOC measurements) and device simulation (SCAPS‐1D) evaluation points to the importance of addressing relative band offsets for both the buffer and window layers relative to the absorber in mitigating interfacial recombination and optimizing CBTSSe solar cell performance.
Vacuum‐Free and Solvent‐Free Deposition of Electrodes for Roll‐to‐Roll Fabricated Perovskite Solar Cells
Authors: Sutherland Luke J. , Vak Doojin , Gao Mei , Peiris Thelge Anton Nirmal , Jasieniak Jacek , Simon George P. , Weerasinghe Hasitha 
Published: September 2022

AbstractPerovskite solar cells (PSCs) are attracting widespread attention due to their exceptional photovoltaic performance and their potential for large‐scale production via low‐cost, high‐throughput roll‐to‐roll (R2R) methods. Full realization of this production approach requires replacement of the evaporated metal electrode commonly used in PSCs. Here, a novel vacuum‐free R2R‐compatible method is introduced to fabricate and deposit printed electrodes based on electrically conductive pastes, which avoids potential loss of PSC performance due to solvent migration from the pastes. Flexible R2R‐fabricated PSCs with record power conversion efficiencies (PCEs) of up to 16.7% are produced by vacuum‐free deposition of all functional layers, apart from the transparent conductive electrode. This performance compares very favorably with that of control flexible PSCs comprising an evaporated gold electrode, which displays PCEs of up to 17.4%. Furthermore, the PSCs comprising a printed electrode demonstrate outstanding operational and mechanical stability, with negligible loss of PCE after 24 h of continuous 1‐sun illumination and retention of more than 90% of their initial PCE after 3000 cyclic bends.
Advanced In Situ Induced Dual‐Mechanism Heterointerface Towards Ultrastable Aqueous Rocking‐Chair Zinc‐Ion Batteries
Authors: Cai Peng , Wang Kangli , Ning Jing , He Xin , Chen Manlin , Li Qixing , Li Haomiao , Zhou Min , Wang Wei , Jiang Kai 
Published: September 2022

AbstractThe practical application of infancy‐stage rocking‐chair Zn‐ion batteries is predominately retarded by the strong electrostatic interaction between traditional anode materials with bivalent Zn2+, resulting in irreversible serious structural damage, unsatisfactory cycling stabilities, and poor rate performances. Herein, an advanced dual electric field in situ induced intercalation/conversion dual‐mechanism Na1.6TiS2/CuSe2 heterointerface anode towards ultrastable aqueous rocking‐chair zinc‐ion batteries is successfully constructed. The rational constructions of huge heterointerfaces between different phases generate built‐in electric fields, reducing the energy barrier for ion migration, facilitating electron/ion diffusion, decreasing charge transfer resistances, and establishing an excellent conducting network. The enhanced interactions of different atoms at the phase interface alleviate the tensile strain and stabilize the lattice, achieving superior Zn2+ diffusion kinetics. The dual‐mechanism Na1.6TiS2/CuSe2 heterostructures can reach a discharge capacity of 142 mAh g−1 at 0.2 A g−1. It still reaches a discharge capacity of 133 mAh g−1 when the current density recovers to 0.2 A g−1 after a high current evaluation of 10 A g−1 with remarkable capacity retention (83.8% at 5A g−1 after 12 000 cycles). This breakthrough opens a new avenue for the targeted design of rocking‐chair zinc‐ion batteries and provides insights into the evolution of heterointerfaces.
Thermally Stable and Dendrite‐Resistant Separators toward Highly Robust Lithium Metal Batteries
Authors: Sun Shiyi , Wang Jianan , Chen Xin , Ma Qianyue , Wang Yanyao , Yang Kai , Yao Xuhui , Yang Zhipeng , Liu Jianwei , Xu Hao , Cai Qiong , Zhao Yunlong , Yan Wei 
Published: September 2022

AbstractHigh‐level safety is of vital importance to the continuous pursuit of high‐energy‐density batteries in the increasingly electrified world. The thermal instability and dendrite‐induced issues of conventional polypropylene (PP) separators often cause internal short circuits and thermal runaway in batteries. Herein, a thermally stable and dendrite‐resistant separator (F‐PPTA@PP) is constructed using a dual‐functional and easy‐to‐commercialize design strategy of thermally safe poly‐p‐phenylene‐terephthamide nanofibers and plasma‐induced lithiophilic fluorine‐containing groups. In situ thermal monitoring, in situ optical observation, and multiphysics simulation demonstrate that F‐PPTA@PP can suppress thermal shrinkage of the separator and the formation of hotspots, and also promote uniform lithium deposition. Subsequently, lithium metal batteries are assembled, featuring an initial capacity of 194.1 mAh g–1 at 0.5 C with a low‐capacity attenuation of 0.02% per cycle over 1000 cycles. When operating under extreme conditions, i.e., −10 and 100 °C, ultrafast charging/discharging rates up to 30 C, lean electrolyte (2.4 µL mg–1)/high mass‐loading (10.77 mg cm–2) or lithium‐sulfur batteries, F‐PPTA@PP separator still enables competitive electrochemical performance, highlighting its plausible processing scalability for high‐safety energy storage systems.
Zinc‐Catalyzed [4+2] Annulation of 2‐Aminoarylnitriles with Ynamides: An Easy Access to Polysubstituted Quinolines
Authors: Zhao Ximei , Li Zengzeng , Jia Jian , Yu Mingwu , Wang Guanghui , Liu Gang 
Published: September 2022

AbstractThe zinc‐catalyzed [4+2] annulation of 2‐aminoarylnitriles with ynamides offers an easy one‐step access to polysubstituted quinolines. In this new protocol, inexpensive ZnCl2 is used for the first time as an efficient alternative of noble‐metal catalysts. This zinc catalytic system offers the desired polysubstituted quinolines in yields up to 87% with a broad substrate scope and good functional group tolerance. The large‐scale experiment proves the practical utility of this method. Interestingly, the newly synthesized product decorated with an o‐fluorophenyl substituent is transformed to 11‐aminoindolo[2,3‐b]quinoline by deprotection of the benzenesulfonyl group and subsequent regioselective aromatic nucleophilic substitution in combined yield of 62%.
External Validation of e‐ASPECTS Software for Interpreting Brain CT in Stroke
Authors: Mair Grant , White Philip , Bath Philip M. , Muir Keith W. , Al‐Shahi Salman Rustam , Martin Chloe , Dye David , Chappell Francesca M. , Vacek Adam , von Kummer Rüdiger , Macleod Malcolm , Sprigg Nikola , Wardlaw Joanna M. 
Published: September 2022

ObjectiveThe purpose of this study was to test e‐ASPECTS software in patients with stroke. Marketed as a decision‐support tool, e‐ASPECTS may detect features of ischemia or hemorrhage on computed tomography (CT) imaging and quantify ischemic extent using Alberta Stroke Program Early CT Score (ASPECTS).MethodsUsing CT from 9 stroke studies, we compared software with masked experts. As per indications for software use, we assessed e‐ASPECTS results for patients with/without middle cerebral artery (MCA) ischemia but no other cause of stroke. In an analysis outside the intended use of the software, we enriched our dataset with non‐MCA ischemia, hemorrhage, and mimics to simulate a representative “front door” hospital population. With final diagnosis as the reference standard, we tested the diagnostic accuracy of e‐ASPECTS for identifying stroke features (ischemia, hyperattenuated arteries, and hemorrhage) in the representative population.ResultsWe included 4,100 patients (51% women, median age = 78 years, National Institutes of Health Stroke Scale [NIHSS] = 10, onset to scan = 2.5 hours). Final diagnosis was ischemia (78%), hemorrhage (14%), or mimic (8%). From 3,035 CTs with expert‐rated ASPECTS, most (2084/3035, 69%) e‐ASPECTS results were within one point of experts. In the representative population, the diagnostic accuracy of e‐ASPECTS was 71% (95% confidence interval [CI] = 70–72%) for detecting ischemic features, 85% (83–86%) for hemorrhage. Software identified more false positive ischemia (12% vs 2%) and hemorrhage (14% vs <1%) than experts.InterpretationOn independent testing, e‐ASPECTS provided moderate agreement with experts and overcalled stroke features. Therefore, future prospective trials testing impacts of artificial intelligence (AI) software on patient care and outcome are required before widespread implementation of stroke decision‐support software. ANN NEUROL 2022;92:943–957
Midazolam Prevents the Adverse Outcome of Neonatal Asphyxia
Authors: Welzel Björn , Schmidt Ricardo , Johne Marie , Löscher Wolfgang 
Published: September 2022

ObjectiveBirth asphyxia (BA) is the most frequent cause of neonatal death as well as central nervous system (CNS) injury. BA is often associated with neonatal seizures, which only poorly respond to anti‐seizure medications and may contribute to the adverse neurodevelopmental outcome. Using a non‐invasive rat model of BA, we have recently reported that the potent benzodiazepine, midazolam, prevents neonatal seizures in ~50% of rat pups. In addition to its anti‐seizure effect, midazolam exerts anti‐inflammatory actions, which is highly relevant for therapeutic intervention following BA. The 2 major aims of the present study were to examine (1) whether midazolam reduces the adverse outcome of BA, and (2) whether this effect is different in rats that did or did not exhibit neonatal seizures after drug treatment.MethodsBehavioral and cognitive tests were performed over 14 months after asphyxia, followed by immunohistochemical analyses.ResultsAll vehicle‐treated rats had seizures after asphyxia and developed behavioral and cognitive abnormalities, neuroinflammation in gray and white matter, neurodegeneration in the hippocampus and thalamus, and hippocampal mossy fiber sprouting in subsequent months. Administration of midazolam (1 mg/kg i.p.) directly after asphyxia prevented post‐asphyctic seizures in ~50% of the rats and resulted in the prevention or decrease of neuroinflammation and the behavioral, cognitive, and neurodegenerative consequences of asphyxia. Except for neurodegeneration in the thalamus, seizures did not seem to contribute to the adverse outcome of asphyxia.InterpretationThe disease‐modifying effect of midazolam identified here strongly suggests that this drug provides a valuable option for improving the treatment and outcome of BA. ANN NEUROL 2023;93:226–243
Untersuchungen zur Substrattoleranz von Sactisynthasen für die Generierung Thioether‐verbrückter Sactipeptide mit neuen Eigenschaften
Authors: Ali Ataurehman , Happel Dominic , Habermann Jan , Schoenfeld Katrin , Macarrón Palacios Arturo , Bitsch Sebastian , Englert Simon , Schneider Hendrik , Avrutina Olga , Fabritz Sebastian , Kolmar Harald 
Published: September 2022

AbstractSactipeptide sind ribosomal synthetisierte Peptide, die eine einzigartige Verknüpfung von Schwefel und α‐Kohlenstoffen enthalten. Die Bildung von Thioetherbrücken wird in diesen Molekülen durch Sactisynthasen katalysiert. Diese spezielle Art der Verknüpfung verleiht Sactipeptiden eine erhöhte strukturelle, thermische und proteolytische Stabilität, was sie zu attraktiven Gerüsten für die Entwicklung neuer Biotherapeutika macht. In diesem Artikel berichten wir über eine Studie zur Substrattoleranz der Sactisynthase AlbA, die die Bildung von Thioetherbrücken im Sactipeptid Subtilosin A katalysiert. Wir haben eine Modifikationsstelle innerhalb dieses Sactipeptids identifiziert, die ein Peptid‐Engineering ohne Beeinträchtigung der Bildung von Thioetherbrücken ermöglicht. Eine Reihe von natürlichen und hybriden Sactipeptidkonstrukten wurde hergestellt, um die AlbA vermittelte Bildung von Thioetherbrücken zu untersuchen und diese massenspektrometrisch zu identifizieren. In einer Proof‐of‐Principle‐Studie haben wir Subtilosin A mit einer neue Funktion ausgestattet, ein Thioether‐verbrücktes Streptavidin‐bindendes Peptid generiert und damit die Tür für das funktionelle Engineering von Sactipeptiden weiter geöffnet.
Stimulus‐Responsive Tubular Conjugated Polymer 2D Nanosheets
Authors: Jang Daewoong , Heo Jung‐Moo , Jannah Fadilatul , Khazi Mohammed Iqbal , Son Young Ji , Noh Jaegeun , An Hyosung , Park Soon Mo , Yoon Dong Ki , Kadamannil Nila Nandha , Jelinek Raz , Kim Jong‐Man 
Published: September 2022

AbstractCreation of new two‐dimensional (2D) architectures has attracted significant attention in the field of self‐assembly for structural diversity and new functionalization. Although numerous 2D polymer nanosheets have been reported, 2D nanosheets with tubular channels have been unexplored. Herein, we describe a new strategy for the fabrication of stimulus‐responsive conjugated polymer 2D nanosheets with hollow cavities. Amphiphilic macrocyclic diacetylenes self‐assembled in an aqueous solution in a columnar manner to afford bilayered 2D nanosheets with intrinsically tubular nanochannels. UV‐induced polymerization resulted in the generation of blue‐colored tubular conjugated polydiacetylene 2D nanosheets. Immobilization of gold nanoparticles, fluorescence labeling with FRET phenomenon and colorimetric DNA sensing were demonstrated with these new 2D nanosheets. In addition, the free NH2 containing polymerized 2D nanosheet was utilized for conductivity behavior and grafting on graphene oxide (GO).
Mild and Chemoselective Carboxylic Acid Reduction Promoted by Borane Catalysis
Authors: Lunic Danijela , Sanosa Nil , Funes‐Ardoiz Ignacio , Teskey Christopher J. 
Published: September 2022

AbstractAlthough considerable advances have been made in developing chemoselective transformations of ubiquitous carboxylic acid groups, many challenges still exist. For instance, their selective reduction is problematic if both more nucleophilic and more electrophilic groups are present in the starting material. Here, we address this problem with a simple and mild protocol using bench‐stable reagents at ambient temperatures. This platform is able to tolerate a diverse range of functionality, leaving ketones, esters, nitro‐groups, olefins, nitriles and amides untouched. A combination of experimental and computational mechanistic experiments demonstrate that this reaction proceeds via hidden borane catalysis with small quantities of in situ generated BH3playing a key role in the exquisite selectivity that is observed.
Making Polyisoprene Self‐Healable through Microstructure Regulation by Rare‐Earth Catalysts
Authors: Wang Haobing , Yang Yang , Nishiura Masayoshi , Hong You‐lee , Nishiyama Yusuke , Higaki Yuji , Hou Zhaomin 
Published: September 2022

AbstractThe creation of self‐healing polymers from commodity olefins is of great interest and importance but has remained a challenge to date. We report here for the first time the synthesis of self‐healing polymers by catalyst‐controlled polymerization of a simple commodity diene, isoprene. We found that polyisoprenes having an appropriate mixture (ca. 70/30) of 3,4‐ and cis‐1,4‐microstructures synthesized by using a half‐sandwich scandium catalyst could act as excellent self‐healing elastomers without any external intervention. The unprecedented self‐healability could be ascribed to nanoscale heterogeneities formed by microphase separation of the relatively hard 3,4‐segments from a flexible cis‐1,4‐segment matrix. The hydrogenated polyisoprenes (without C=C bonds) with the analogous microstructures also exhibited excellent mechanical and self‐healing properties, further demonstrating that even simple polyolefins can be made self‐healable if the microstructures are appropriately regulated.
A novel bio‐based, flame retardant and latent imidazole compound—Its synthesis and uses as curing agent for epoxy resins
Authors: Yang Bo , Wei Yi , Qiu Yiping , Ramakrishna Seeram , Liu Yanbo 
Published: September 2022

AbstractComposite industry is constantly seeking multifunctional, high performance and environmentally friendly materials. Herein reported is a novel bio‐based, flame retardant and latent epoxy curing agent synthesized from wood vanillin, phosphate ester and imidazole. Experiment data from combustion test demonstrated that the cured epoxy resin with this new curing agent, designated as VAIP, rendered effective flame retardant property with limit of oxygen of 38.4%, UL‐94 V‐0 rating, total heat release of 48 MJm−2 and peak heat release rate of 435 KWm−2. Thermal mechanical tests showed its significantly higher char yield of 35% at 800°C and thermal stability with the temperature of initial weight loss rate of above 350°C, compared to reference epoxy resins cured by conventional cyano‐imidazole (CEMI). This new phosphorus containing imidazole curing agent also demonstrated potential application in fiber‐reinforced composite by rendering comparable Tg, for both dry and hot‐wet conditions, as well as higher interlaminar and shear strengths, when compared with the reference composite. Dynamic rheological isothermal measurement of the epoxy resin viscosity further concluded that VAIP had significantly better latency of 580 min at 60°C and 14 days at room temperature, resulting in much longer pot life or shelf life for the formulated resins and their prepreg.
PFAS Challenges and Novel Research: A Conversation With the Editorial Board of the AWWA Water Science Topical Collection on PFAS Analytics and Treatment
Authors: Crimi Michelle , Speth Thomas F. , Chowdhury Zaid K. , Dickenson Eric R.V. , Knappe Detlef R.U. , Liu Jinxia 
Published: September 2022

Key TakeawaysPer‐ and polyfluoroalkyl substances, “forever chemicals” commonly known as PFAS and used in countless products, have become a significant environmental and public health concern.Among especially alarming PFAS issues are their pervasive presence, the low concentrations at which they are found to be hazardous, and the challenges and limitations of remediation.A roundtable interview with water industry experts—guest editors of an AWWA Water Science article collection—presents their candid, comprehensive take on the PFAS picture.
Serum pharmacochemistry and pharmacokinetics of major components after oral administration of Luhong recipe in rats using ultra‐performance liquid chromatography–tandem mass spectrometry
Authors: Li Suli , Liu Hanze , Zhang Congcong , An Dingbang , Zhao Xiang , Liu Wei , Cheng Xuemei , Qu Huiyan , Zhou Hua , Yang Tao , Wang Changhong 
Published: September 2022

AbstractLuhong recipe (LHR) is has been used as an empirical prescription for treating chronic heart failure for long, with safety, reliability, and significant efficacy. However, its pharmacokinetics has not yet been studied. This study aims to establish a ultra performance liquid chromatography/tandem mass spectrometry (UPLC–MS/MS) method for the simultaneous analysis of epimedin A, epimedin B, epimedin C, icariin, psoralen, and isopsoralen in rat plasma and apply it to the pharmacokinetic study of LHR after oral administration. These six analytes were ionized using positive electrospray ionization (ESI+). The MS/MS transitions used for monitoring are successively converted to m/z 839.3 → 369.1, m/z 809.2 → 369.1, m/z 823.3 → 369.1, m/z 677.2 → 205.2, m/z 187.1 → 115.2, and m/z 230 → 120.9. Linearity, precision, accuracy, stability, matrix effect, and recovery of the established method were within the acceptable range. The method was suitable for the determination of six analytes after oral administration of LHR. The pharmacokinetic results showed that the time to reach the peak concentration (Tmax) was from 0.17 to 13.5 h, the peak concentration (Cmax) was 109.23–980 ng/mL, the area under the concentration–time curve (AUC[0 − t]) was 65.48–8846.08 ng·h/mL, and the apparent distribution volume (Vd) was 24,772–896,132 mL/kg. These results provided a meaningful basis for formulating the clinical dose regimen of LHR.
Nickel Catalysts for Non‐Alternating CO‐Ethylene Copolymerization
Authors: Zhu Linhui , Gaire Sanjay , Ziegler Christopher J. , Jia Li 
Published: September 2022

AbstractTransition metal‐catalyzed copolymerization of CO and ethylene has a strong inherent propensity to produce the strictly alternating copolymer. In this work, nickel catalysts capable of both homopolymerization of ethylene and alternating copolymerization of CO and ethylene are developed to explore the possibility of non‐alternating copolymerization of CO and ethylene under the assumption that comonomer incorporation in the polymer chain can be adjusted by the concentrations of the comonomers. Both polyketones with slightly more than 50 % ethylene and “polyethylenes” with a small amount of CO incorporation are obtained but only under carefully controlled conditions and in low yields.
Activity Levels of Amine Transaminases Correlate with Active Site Hydrophobicity
Authors: Kollipara Manideep , Matzel Philipp , Bornscheuer Uwe , Höhne Matthias 
Published: September 2022

AbstractAmine transaminases (ATAs) are biocatalysts for the synthesis of chiral amines and can be identified in sequence databases by specific sequence motifs. This study shows that the activity level towards the model substrate 1‐phenylethylamine can be predicted solely from the sequence. To demonstrate this, 15 putative ATAs with a different distribution of hydrophobic or hydrophilic amino acid side chains near the active site were characterized. Hydrophobic side chains were associated with a high activity level and were a better predictor of activity than global sequence identity to known ATAs with high or low activities. Enzyme stability investigations revealed that four out of the 15 ATAs showed a good operational stability.
Non‐Classical Conversion of Methanol to Formaldehyde
Authors: Deitermann Michel , Huang Zjian , Lechler Sebastian , Merko Mariia , Muhler Martin 
Published: September 2022

AbstractNon‐classical alternatives to the silver contact and the Formox processes comprise the thermal non‐oxidative dehydrogenation of methanol, for which new catalysts are needed to achieve high formaldehyde selectivity at high conversion at temperatures below 600 °C. The electro‐ or photocatalytic conversion of methanol to formaldehyde is not applied either industrially but is attractive because of mild reaction conditions and high formaldehyde selectivities. Novel gas‐phase approaches yielding (anhydrous) formaldehyde are presented describing lab‐scale setups and the challenges for up‐scaling.
Elektrostatische Aufladung verhindern
Authors: Schultz Stephan 
Published: September 2022

AbstractExplosionsfähige Atmosphären können in allen industriellen Bereichen, in denen brennbare Flüssigkeiten oder feinkörnige brennbare Schüttgüter gehändelt werden, entstehen. Die richtige Erdungstechnik spielt eine zentrale Rolle, um eine elektrostatische Aufladung zur verhindern. Sie muss durch die sichere Ableitung bzw. Erdung energiereicher elektrostatischer Potenziale verhindern, dass unkontrollierte Entladungen zu Zündgefahren führen.