bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Bithiazole‐Substituted Donor for High‐Efficiency Thick Ternary Organic Solar Cells via Regulation of Crystallinity and Miscibility
Authors: Zou Wentao , Han Chenyang , Zhang Xu , Qiao Jiawei , Yu Jifa , Xu Huajun , Gao Huanhuan , Sun Yanna , Kan Yuanyuan , Hao Xiaotao , Lu Guanghao , Yang Yingguo , Gao Ke 
Published: May 2023

AbstractOrganic solar cells (OSCs) with thick active layers exhibit great potential for future roll‐to‐roll mass production. However, increasing the thickness of the active layer generally leads to unfavorable morphology, which decreases the device's performance. Therefore, it is a critical challenge to achieve OSCs with high efficiency and thick film simultaneously. Herein, a small molecular donor, ZW1, incorporating a bithiazole unit along with a thiophene group as a π‐bridge is reported. ZW1 with high crystallinity is employed to fabricate D18:ZW1:Y6 ternary devices, which enhances the crystallization, optimizes the morphology, and suppresses bimolecular recombination. Additionally, ZW1 shows better miscibility with D18, resulting in the preferred vertical phase distribution. As a result, an outstanding power conversion efficiency (PCE) of 18.50% is realized in ternary OSCs with 120 nm active layer thickness. Importantly, the thick ternary OSCs attain a high PCE of 16.67% (thickness ≈300 nm), significantly higher than the corresponding binary devices (13.50%). The PCE of 16.67% is one of the highest values for thick‐film OSCs reported to date. This work demonstrates that the incorporation of highly crystalline small‐molecule donors into ternary OSCs, possessing good miscibility with host materials, presents an effective strategy for fabricating highly efficient thick OSCs.
Carbon sequestration and water management in Texas—One size does not fit all
Authors: Bell Jourdan , DeLaune Paul B. , Fischer Bart L. , Foster Jamie L. , Lewis Katie L. , McCarl Bruce A. , Outlaw Joe L. 
Published: May 2023

AbstractClimate‐smart agriculture (CSA) is an integrated approach to sustainably meeting food, fiber, and feed production needs. The technical and socioeconomic feasibility of different CSA strategies depends on local conditions, and there is no one‐size‐fits‐all approach. Here, we review two key aspects of CSA with a focus on Texas: soil C sequestration and water management. Carbon sequestration potential is highly variable across Texas as it depends on local biophysical conditions and soil management practices in place, for example, tillage and cover crops. Grasslands also have an important role to play in C sequestration. Important co‐benefits of effective soil management for C sequestration, such as reduced CO2 emissions, enhanced soil structure, and increased microbial activity, can positively impact soil fertility and productivity. The economic and political realities of C sequestration will have a strong influence on the implementation of technically feasible strategies. The major challenge for water management is the sustainable allocation of increasingly scarce resources. Expanded irrigation is a short‐term solution, but in many cases, the existing water supply is insufficient to meet future demand. A drying Texas, and aquifer depletion, portends lower future supplies. The Panhandle, Llano Estacado, and Rio Grande regions have the greatest projected gaps between future supply and demand. Increasing water‐use efficiency and using drought‐tolerant crops are important management goals and precision agriculture with site‐specific management measures could help improve drought resiliency. Texas’ geographic diversity is reflected in the variety of agricultural commodities produced by the state, and CSA activities are likely to be equally diverse.
Influence of seed rate and row spacing on seed multiplication factor and yield of durum wheat in Ethiopia
Authors: Megerssa Shitaye Homma , Geleta Tesfaye , Bekele Nigusu 
Published: May 2023

AbstractOptimum seeding rate and row spacing are important for uniform crop establishment and harvest of quality seed. Field experiment was conducted at three locations in 2014 and 2015 to study the influence of seed rate and row spacing on seed multiplication factor and yield of durum wheat. Triplicate split plot design was used. The highest seed yield was found at a seed rate of 125 kg ha−1 with a row spacing of 10 cm in 2014 but not significant with the seed rates of 100 kg ha−1 at 10 cm spacing, 75 kg ha−1 at 20 cm row spacing in 2014, and 150 kg ha−1 at 10 cm row spacing in 2015 at Debre Zeit. At Chefe Donsa, the highest seed yield (4.75 ton) was harvested at a seed rate of 100 kg ha−1. At Minjar, seed yield was not affected by seeding rate. Seed multiplication factor was higher at a seed rate of 50 kg ha−1 and spacing of 20 cm at Debre Zeit. At Chefe Donsa, the highest seed multiplication ratio (97.3) was observed in 2015 at a seed rate of 50 kg ha−1 with row spacing of 30 cm. Seed multiplication factor decreased with increasing seed rate at all testing locations. Sowing of 100 kg seeds per hectare with 20 cm spacing gave optimum seed yield over the testing locations. With limited seed availability of nucleus seed, 50 and 75 kg ha−1 with a spacing of 20 cm is appropriate to upsurge seed multiplication ratio.
A new hybrid quantitative structure property relationships‐support vector regression (QSPR‐SVR) approach for predicting the solubility of drug compounds in supercritical carbon dioxide
Authors: Euldji Imane , Belghait Aicha , Si‐Moussa Cherif , Benkortbi Othmane , Amrane Abdeltif 
Published: May 2023

AbstractThe purpose of this work was to compare the performance of 7 meta‐heuristics algorithms namely: Dragonfly (DA), Ant Lion (ALO), Grey Wolf (GWO), Artificial Bee Colony (ABC), Particle Swarm (PSO), Whale (WAO), and a hybrid Particle Swarm with Grey Wolf (HPSOGWO) optimizers in terms of fine‐tuning hyper‐parameters of a hybrid quantitative structure property relationships (QSPR)‐support vector regression (SVR) for the prediction of molar fraction solubilities of drug compounds in supercritical carbon dioxide (SC‐CO2). A dataset of 168 drug compounds, 13 inputs, and 4490 experimental data points was used to achieve the goal. All 7 models were statistically and graphically approved while the HPSOGWO‐SVR was found to over‐perform with an average absolute relative deviation (AARD) of 0.706% and an AIC of −14,434,249. The model was subjected to an external test (validation) using 160 experimental data points that were not used in the training and the test set. The overall results proved that the obtained model has good predictivity ability and robustness.
The first Gondwanan Euphorbiaceae fossils reset the biogeographic history of the Macaranga‐Mallotus clade
Authors: Wilf Peter , Iglesias Ari , Gandolfo María A. 
Published: May 2023

AbstractPremiseThe spurge family Euphorbiaceae is prominent in tropical rainforests worldwide, particularly in Asia. There is little consensus on the biogeographic origins of the family or its principal lineages. No confirmed spurge macrofossils have come from Gondwana.MethodsWe describe the first Gondwanan macrofossils of Euphorbiaceae, represented by two infructescences and associated peltate leaves from the early Eocene (52 Myr ago [Ma]) Laguna del Hunco site in Chubut, Argentina.ResultsThe infructescences are panicles bearing tiny, pedicellate, spineless capsular fruits with two locules, two axile lenticular seeds, and two unbranched, plumose stigmas. The fossils' character combination only occurs today in some species of the Macaranga‐Mallotus clade (MMC; Euphorbiaceae), a widespread Old‐World understory group often thought to have tropical Asian origins. The associated leaves are consistent with extant Macaranga.ConclusionsThe new fossils are the oldest known for the MMC, demonstrating its Gondwanan history and marking its divergence by at least 52 Ma. This discovery makes an Asian origin of the MMC unlikely because immense oceanic distances separated Asia and South America 52 Ma. The only other MMC reproductive fossils so far known are also from the southern hemisphere (early Miocene, southern New Zealand), far from the Asian tropics. The MMC, along with many other Gondwanan survivors, most likely entered Asia during the Neogene Sahul‐Sunda collision. Our discovery adds to a substantial series of well‐dated, well‐preserved fossils from one undersampled region, Patagonia, that have changed our understanding of plant biogeographic history.
Triplications of chromosome 1p36.3, including the genes GABRD and SKI, are associated with a developmental disorder and a facial gestalt
Authors: Pelgrims Elise , Lynch Sally Ann , Hannes Laurens , Hoffer Mariëtte J. V. , Melotte Cindy , Van Haeringen Arie , Swillen Ann , Breckpot Jeroen 
Published: May 2023

AbstractTriplication of chromosomal region 1p36.3 is a rare genomic rearrangement. In this report, we delineate the phenotypic spectrum associated with 1p36.3 triplications. We describe four patients with microtriplications of variable size, but with a strong phenotypic overlap, and compare them to previously described patients with an isolated triplication or duplication of this region. The 1p36.3 triplication syndrome is associated with a distinct phenotype, characterized by global developmental delay, moderate intellectual disability, seizures, behavioral problems, and specific facial dysmorphic features, including ptosis, hypertelorism, and arched eyebrows. The de novo occurrence of these microtriplications demonstrates the reduced reproductive fitness associated with this genotype, in contrast to 1p36.3 duplications which are mostly inherited and can be associated with similar facial features but with a less severe developmental phenotype. The shared triplicated region encompasses four disease‐related genes of which GABRD and SKI are most likely to contribute to the phenotype.
Recent Advances in Indole Synthesis and the Related Alkylation
Authors: Ma Jie , Feng Rong , Dong Zhi‐Bing 
Published: May 2023

AbstractThe derivatives of indoles are very useful intermediates in pharmaceuticals and organic synthesis. The efficient synthesis of the indole blocks and related functionalizations, especially the alkylation of indoles are hot topics in recent years. This review will focus on the following two aspects: i) new developments for the synthesis of indoles which was catalyzed by transition metals, the alkylation of indoles, including the one on N1‐position, C2‐position, as well as C3‐position. 1. Introduction 2. Synthesis of indoles catalyzed by various metals 2.1. Synthesis of indoles by palladium catalysts 2.2. Synthesis of indoles by other metal catalysts 3. Alkylation of indoles 3.1. N1‐alkylation of indoles 3.2. C2‐alkylation of indoles 3.3. C3‐alkylation of indoles
Reducing stress and stereotypic behaviors in captive female pygmy slow lorises (Nycticebus pygmeaus)
Authors: Alejandro Josue , Yamanashi Yumi , Nemoto Kei , Mouri Keiko , Huang Ching‐wen , Bercovitch Fred B. , Huffman Michael A. 
Published: May 2023

AbstractImproving captive conditions of pygmy slow lorises (Nekaris and Nijman have recently suggested that the pygmy slow loris should be called the pygmy loris and is distinctive enough to warrant a new genus, Xanthonycticebu) (Nycticebus pygmeaus) poses many challenges because detailed aspects of their lives in the wild are incomplete. This hinders efforts to replicate sustainable environments for them. To improve their well‐being in captivity, eight rescued female pygmy slow lorises at the Japan Monkey Center (JMC) were socially housed in two types of groups following their solitary housing: two pairs and one group of four individuals. They spent much of their time in affiliative behaviors, as well as sharing sleeping sites after placement in a social group. The purpose of my study was to examine whether social housing helped in reducing stress by comparing fecal glucocorticoids and stereotypic behaviors when housed alone and when with conspecifics. Overall, the levels of fecal glucocorticoids were significantly lower when socially housed than when kept alone. One individual exhibited stereotypic behavior when housed alone, but this behavior disappeared after social housing. These findings support recent evidence that pygmy slow lorises are social animals and will benefit from group housing in captivity. We conclude that social housing of pygmy slow lorises improves their well‐being by reducing stress levels, and that their group housing in captivity can provide dividends for the conservation of this endangered nocturnal primate because lorises intended for release should find it easier to adapt to natural conditions.
Mixed Conductive, Injectable, and Fluorescent Supramolecular Eutectogel Composites
Authors: Criado‐Gonzalez Miryam , Alegret Nuria , Fracaroli Alejandro M. , Mantione Daniele , Guzmán‐González Gregorio , Del Olmo Rafael , Tashiro Kentaro , Tomé Liliana C. , Picchio Matias L. , Mecerreyes David 
Published: May 2023

AbstractEutectogels are an emerging family of soft ionic materials alternative to ionic liquid gels and organogels, offering fresh perspectives for designing functional dynamic platforms in water‐free environments. Herein, the first example of mixed ionic and electronic conducting supramolecular eutectogel composites is reported. A fluorescent glutamic acid‐derived low‐molecular‐weight gelator (LMWG) was found to self‐assemble into nanofibrillar networks in deep eutectic solvents (DES)/poly(3,4‐ethylenedioxythiophene) (PEDOT): chondroitin sulfate dispersions. These dynamic materials displayed excellent injectability and self‐healing properties, high ionic conductivity (up to 10−2 S cm−1), good biocompatibility, and fluorescence imaging ability. This set of features turns the mixed conducting supramolecular eutectogels into promising adaptive materials for bioimaging and electrostimulation applications.
Multi‐Domain versus Single‐Domain: A Magnetic Field is Not a Must for Promoting Spin‐Polarized Water Oxidation
Authors: Ge Jingjie , Ren Xiao , Chen Riccardo Ruixi , Sun Yuanmiao , Wu Tianze , Ong Samuel Jun Hoong , Xu Zhichuan J. 
Published: May 2023

AbstractThe reaction kinetics of spin‐polarized oxygen evolution reaction (OER) can be enhanced by ferromagnetic (FM) catalysts under an external magnetic field. However, applying a magnetic field necessitates additional energy consumption and creates design difficulties for OER. Herein, we demonstrate that a single‐domain FM catalyst without external magnetic fields exhibits a similar OER increment to its magnetized multi‐domain one. The evidence is given by comparing the pH‐dependent increment of OER on multi‐ and single‐domain FM catalysts with or without a magnetic field. The intrinsic activity of a single‐domain catalyst is higher than that of a multi‐domain counterpart. The latter can be promoted to approach the former by the magnetization effect. Reducing the FM catalyst size into the single‐domain region, the spin‐polarized OER performance can be achieved without a magnetic field, illustrating an external magnetic field is not a requirement to reap the benefits of magnetic catalysts.
Kinetic Control via Binding Sites within the Confined Space of Metal Metalloporphyrin‐Frameworks for Enhanced Shape‐Selectivity Catalysis
Authors: Zhang Weijie , Lu Zhou , Wojtas Lukasz , Chen Yu‐Sheng , Baker Alexander A. , Liu Yi‐Sheng , Al‐Enizi Abdullah M. , Nafady Ayman , Ma Shengqian 
Published: May 2023

AbstractOne striking feature of enzyme is its controllable ability to trap substrates via synergistic or cooperative binding in the enzymatic pocket, which renders the shape‐selectivity of product by the confined spatial environment. The success of shape‐selective catalysis relies on the ability of enzyme to tune the thermodynamics and kinetics for chemical reactions. In emulation of enzyme's ability, we showcase herein a targeting strategy with the substrate being anchored on the internal pore wall of metal‐organic frameworks (MOFs), taking full advantage of the sterically kinetic control to achieve shape‐selectivity for the reactions. For this purpose, a series of binding site‐accessible metal metalloporphyrin‐frameworks (MMPFs) have been investigated to shed light on the nature of enzyme‐mimic catalysis. They exhibit a different density of binding sites that are well arranged into the nanospace with corresponding distances of opposite binding sites. Such a structural specificity results in a facile switch in selectivity from an exclusive formation of the thermodynamically stable product to the kinetic product. Thus, the proposed targeting strategy, based on the combination of porous materials and binding events, paves a new way to develop highly efficient heterogeneous catalysts for shifting selectivity.
Frenkel Defect‐modulated Anti‐thermal Quenching Luminescence in Lanthanide‐doped Sc2(WO4)3
Authors: Wei Yang , Pan Yue , Zhou Enlong , Yuan Ze , Song Hao , Wang Yilin , Zhou Jie , Rui Jiahui , Xu Mengjiao , Ning Lixin , Liu Zhanning , Wang Hongyu , Xie Xiaoji , Tang Xiaobin , Su Haiquan , Xing Xianran , Huang Ling 
Published: May 2023

AbstractAlthough large amount of effort has been invested in combating thermal quenching that severely degrades the performance of luminescent materials particularly at high temperatures, not much affirmative progress has been realized. Herein, we demonstrate that the Frenkel defect formed via controlled annealing of Sc2(WO4)3:Ln (Ln=Yb, Er, Eu, Tb, Sm), can work as energy reservoir and back‐transfer the stored excitation energy to Ln3+ upon heating. Therefore, except routine anti‐thermal quenching, thermally enhanced 415‐fold downshifting and 405‐fold upconversion luminescence are even obtained in Sc2(WO4)3:Yb/Er, which has set a record of both the Yb3+‐Er3+ energy transfer efficiency (>85 %) and the working temperature at 500 and 1073 K, respectively. Moreover, this design strategy is extendable to other hosts possessing Frenkel defect, and modulation of which directly determines whether enhanced or decreased luminescence can be obtained. This discovery has paved new avenues to reliable generation of high‐temperature luminescence.
Atomically Precise Defective Copper Nanocluster Catalysts for Highly Selective C−C Cross‐Coupling Reactions
Authors: Nematulloev Saidkhodzha , Sagadevan Arunachalam , Alamer Badriah , Shkurenko Aleksander , Huang Renwu , Yin Jun , Dong Chunwei , Yuan Peng , Yorov Khursand E. , Karluk Azimet A. , Mir Wasim J. , Hasanov Bashir E. , Nejib Hedhili Mohamed , Halappa Naveen M. , Eddaoudi Mohamed , Mohammed Omar F. , Rueping Magnus , Bakr Osman M. 
Published: May 2023

AbstractPoint defects in nanoparticles have long been hypothesized to play an important role in governing the particle's electronic structure and physicochemical properties. However, single point defects in material systems usually exist with other heterogeneities, obscuring the chemical role of the effects. Herein, we report the synthesis of novel atomically precise, copper hydride nanoclusters (NCs), [Cu28H10(C7H7S)18(TPP)3] (Cu28; TPP: triphenylphosphine; C7H7S: o‐thiocresol) with a defined defect in the gram scale via a one‐pot reduction method. The Cu28 acts as a highly selective catalyst for C−C cross‐couplings. The work highlights the potential of defective NCs as model systems for investigating individual defects, correlating defects with physiochemical properties, and rationally designing new nanoparticle catalysts.
Mucin‐Inspired Single‐Chain Polymer (MIP) Fibers as Potent SARS‐CoV‐2 Inhibitors
Authors: Bej Raju , Nie Chuanxiong , Ludwig Kai , Ahmadi Vahid , Trimpert Jakob , Adler Julia M. , Povolotsky Tatyana L. , Achazi Katharina , Kagelmacher Marten , Vidal Ricardo Martin , Dernedde Jens , Kaufer Benedikt B. , Haag Rainer 
Published: May 2023

AbstractMucins are the key component of the defensive mucus barrier. They are extended fibers of very high molecular weight with diverse biological functions depending strongly on their specific structural parameters. Here, we present a mucin‐inspired nanostructure, produced via a synthetic methodology to prepare methacrylate‐based dendronized polysulfates (MIP‐1) on a multi gram‐scale with high molecular weight (MW=450 kDa) and thiol end‐functionalized mucin‐inspired polymer (MIP) via RAFT polymerization. Cryo‐electron tomography (Cryo‐ET) analysis of MIP‐1 confirmed a mucin‐mimetic wormlike single‐chain fiber structure (length=144±59 nm) in aqueous solution. This biocompatible fiber showed promising activity against SARS‐CoV‐2 and its mutant strain, with a remarkable low half maximal (IC50) inhibitory concentration (IC50=10.0 nM). Additionally, we investigate the impact of fiber length on SARS‐CoV‐2 inhibition by testing other functional polymers (MIPs) of varying fiber lengths.
All‐Solid‐State Rechargeable Air Batteries Using Dihydroxybenzoquinone and Its Polymer as the Negative Electrode
Authors: Yonenaga Makoto , Kaiwa Yusuke , Oka Kouki , Oyaizu Kenichi , Miyatake Kenji 
Published: May 2023

AbstractA proof‐of‐concept study was conducted on an all‐solid‐state rechargeable air battery (SSAB) using redox‐active 2,5‐dihydroxy‐1,4‐benzoquinone (DHBQ) and its polymer (PDBM) and a proton‐conductive polymer (Nafion). DHBQ functioned well in the redox reaction with the solid Nafion ionomer at 0.47 and 0.57 V vs. RHE, similar to that in acid aqueous solution. The resulting air battery exhibited an open circuit voltage of 0.80 V and a discharge capacity of 29.7 mAh gDHBQ−1 at a constant current density (1 mA cm−2). With PDBM, the discharge capacity was much higher, 176.1 mAh gPDBM−1, because of the improved utilization of the redox‐active moieties. In the rate characteristics of the SSAB‐PDBM, the coulombic efficiency was 84 % at 4 C, which decreased to 66 % at 101 C. In a charge/discharge cycle test, the capacity remaining after 30 cycles was 44 %, which was able to be significantly improved, to 78 %, by tuning the Nafion composition in the negative electrode.
Atroposelective Silylation of 1,1′‐Biaryl‐2,6‐diols by a Chiral Counteranion Directed Desymmetrization Enhanced by a Subsequent Kinetic Resolution
Authors: Zhu Min , Jiang Hua‐Jie , Sharanov Illia , Irran Elisabeth , Oestreich Martin 
Published: May 2023

AbstractA desymmetrizing silylation of aromatic diols is reported. The previously unknown asymmetric silyl ether formation of phenol derivatives is achieved by applying List's counteranion directed silylation technique. A silylium‐ion‐like silicon electrophile generated from an allylic silane paired with an imidodiphosphorimidate (IDPi) enables enantioselective discrimination of achiral 1,1′‐biaryl‐2,6‐diols. The enantioselectivity of that desymmetrization is further improved by a downstream kinetic resolution, converting the monosilylated minor enantiomer into the corresponding, again achiral bissilylated diol.
Cluster Light‐Emitting Diodes Containing Copper Iodine Cube with 100 % Exciton Utilization Using Host‐Cluster Synergy
Authors: Zhang Nan , Li Ying , Han Sanyang , Wei Ying , Hu Huan , Huo Ran , Duan Chunbo , Zhang Jing , Han Chunmiao , Xie Guohua , Xu Hui 
Published: May 2023

AbstractClusters combine the advantages of organic molecules and inorganic nanomaterials, which are promising alternatives for optoelectronic applications. Nonetheless, recently emerged cluster light‐emitting diodes require further excited state optimization of cluster emitters, especially to reduce population of the cluster‐centered triplet quenching state (3CC). Here we report that redox‐active ligands enhance reverse intersystem crossing (RISC) of Cu4I4 cluster for triplet‐to‐singlet conversion, and thermally activated delayed fluorescence (TADF) host can provide an external RISC channel. It indicates that the complementarity between TADF host and cluster in RISC transitions gives rise to 100 % triplet conversion efficiency and complete singlet exciton convergence, rendering 100‐fold increased singlet radiation rate constant and tenfold decreased triplet non‐radiation rate constant. We achieve a photoluminescence quantum yield of 99 % and a record external quantum efficiency of 29.4 %.