bluuebunny/crossref_metadata_2025_split huggingface dataset:
CsPbBr3 Superstructures with Circularly Polarized Photolumines‐Cence Obtained by the Self‐Assembly and Annealing of Nanoclusters
Authors: Zhang Baowei , Xiao Jian , Xie Zhengkun , Jiang Maowei , Song Haoqiang , Toso Stefano , Zang Shuangquan , Manna Liberato , Lu Siyu 
Published: January 2025

AbstractWe report a two‐step approach to fabricate CsPbBr3 superstructures with strongly circularly polarized photoluminescence by self‐assembly of nanoclusters on a substrate, followed by their annealing. In the first step, the nanoclusters self‐assemble upon solvent evaporation, a process that forms mesoscopic superstructures whose geometrical arrangement at the μm‐scale confers them optical chirality. In the second step, mild annealing of such superstructures induces the coalescence of the nanoclusters, accompanied by a continuous red shift of the photoluminescence up to 530 nm, with preservation of the μm‐scale wires bundles and the chiral properties of the sample (glum=0.1). The successful chirality transfer from the initial nanoclusters assemblies to these final CsPbBr3 superstructures provides a convenient way to obtain circularly polarized emitters.
Cationic Magnetically Active Nitrogen‐Doped Polycyclic Aromatic Hydrocarbon with Record Low Band Gap
Authors: Huang Yanxia , Zhou Laiyun , Zhang Ruiying , Ding Yeda , Shi Dan , Zhu Lingyun , Lin Lisen , Li Yuanming , Wang Qing 
Published: January 2025

AbstractPolycyclic aromatic hydrocarbons (PAHs) have attracted significant interest in material chemistry, particularly if they own extremely low band gaps and magnetic properties. However, challenges remain regarding the synthetic accessibility and energy saturation issues. In this study, we introduce NR‐11, which consists of eleven aromatic rings in its main conjugation and is separately doped with two electron‐rich nitrogen atoms. This unique structure imparts intriguing oxidation characteristics to NR‐11. The cationic radical NR‐11+⋅ exhibits enhanced stability and demonstrates strong absorption in the range of 1250 nm to 3000 nm, peaking at 2570 nm. As a result, the optical energy gap of NR‐11+⋅ is one of the lowest reported to date. Additionally, X‐ray crystal structure analysis reveals that NR‐11+⋅ displays unusual symmetry‐broken charge separation. For the dication, variable‐temperature NMR and variable‐temperature EPR studies indicate that NR‐112+ exhibits a high diradical character with a ▵ES‐T of approximately −1 kcal/mol. Additionally, its spins are polarized at two ends of the PAH. Meanwhile, its strong absorption in the near‐infrared II region suggests promise in photoacoustic (PA) conversion applications. This work underscores the significance of cationic species of extended long PAHs, highlighting their exceptional properties and potential applications.
Revealing Intrinsic Free Charge Generation: Promoting the Construction of Over 19% Efficient Planar p‐n Heterojunction Organic Solar Cells
Authors: Wang Junjie , Li Yonghai , Bi Fuzhen , Yang Chunpeng , Vasilopoulou Maria , Chu Junhao , Bao Xichang 
Published: January 2025

AbstractDue to high binding energy and extremely short diffusion distance of Frenkel excitons in common organic semiconductors at early stage, mechanism of interface charge transfer‐mediated free carrier generation has dominated the development of bulk heterojunction (BHJ) organic solar cells (OSCs). However, considering the advancements in materials and device performance, it is necessary to reexamine the photoelectric conversion in current‐stage efficient OSCs. Here, we propose that the conjugated materials with specific three‐dimensional donor‐acceptor conjugated packing potentially exhibit distinctive charge photogeneration mechanism, which spontaneously split Wannier‐Mott excitons to free carriers in pure phases. Subsequently, the pure planar p‐n heterojunction (PHJ) OSCs based on green orthogonal solvents were prepared and exhibited comparable even greater performance to that of BHJ OSCs. More interestingly, by introducing PVDF‐TrFE as intrinsic region to regulate built‐in electric field of the device, the planar p‐i‐n PHJ OSCs achieved much higher efficiency (>18%) and stability. Moreover, a prominent efficiency of over 19% has been obtained via ternary optimization, which is the new efficiency record for PHJ OSCs up to date. This study points towards the distinguishing intrinsic free charge generation mechanism, opens up a new avenue for OSCs to collectively realize high‐efficiency, long‐term duration, and simplified device engineering for future commercialization.
Hydrogen‐Localization Transfer Regulation in 3D COFs Enhances Photocatalytic Acetylene Semi‐Hydrogenation to Ethylene
Authors: Huang Pei , Yang Ming‐Yi , Zhang Shuai‐Bing , Li Ze‐Hui , Zhang Han , Wang Si‐Miao , Peng Yan‐Yu , Zhang Mi , Li Shun‐Li , Lu Meng , Lan Ya‐Qian 
Published: January 2025

AbstractIn this work, a series of new crystalline three‐dimensional covalent organic frameworks (3D COFs) based on [8+4] construction was designed and successfully realized efficient photocatalytic acetylene (C2H2) hydrogenation to ethylene (C2H4). By regulating the hydrogen‐localization transfer effect in these 3D COFs, the Cz−Co−COF−H containing cobalt glyoximate active centers exhibited excellent C2H2‐to‐C2H4 performance, with an average C2H4 yield of 1755.33 μmol g−1 h−1 in pure C2H2, also showed near 100 % conversion of C2H2 in 1 % C2H2 contained crude C2H4 mixtures (industry‐relevant conditions), and finally obtain polymer grade C2H4. In contrast, the Cz−Co−COF−BF2 only showed one fifth activity due to lack of hydrogen‐localization transfer. The density functional theory (DFT), projected density of states (PDOS) and molecular dynamics “slow‐growth” kinetic calculations based on precise 3D COF structures confirmed that the rapid hydrogen species transfer, enhanced water dissociation and suitable C2H2 adsorption in COFs jointly contributed efficient photocatalytic acetylene hydrogenation (PAH). This work provides new opportunity towards rational design and development of crystalline photocatalysts for C2H2 hydrogenation.
Anion‐Responsive π‐Conjugated Macrocycles That Form Ordered Structures
Authors: Horita Hiroki , Okano Hiroki , Kikkawa Yoshihiro , Haketa Yohei , Maeda Hiromitsu 
Published: January 2025

AbstractIn this study, anion‐responsive π‐conjugated macrocycles were synthesized to demonstrate anion‐binding and ion‐pairing properties along with the ordered structures. Ion‐pairing charge‐by‐charge assembly of a [1+2]‐type complex of a macrocycle as a pseudo π‐electronic anion and a countercation was revealed by single‐crystal X‐ray analysis. Further, two‐dimensional (2D) arrays of the macrocycles bearing alkoxy chains, exhibiting anion‐driven disordered structures, were constructed on a highly oriented pyrolytic graphite (HOPG) substrate as observed by scanning tunneling microscopy (STM).
Searching the Non‐Accreting White Dwarf Population in eROSITA Data
Authors: Friedrich S. , Maitra C. , Dennerl K. , Schwope A. , Werner K. , Stelzer B. 
Published: January 2025

ABSTRACTeROSITA is the soft X‐ray instrument aboard the Spectrum Roentgen Gamma (SRG) satellite that is most sensitive in the energy range between 0.2 and 2.3 keV. Between December 2019 and December 2021, eROSITA completed four all‐sky surveys, producing all‐sky X‐ray source lists and sky maps of unprecedented depth. In the energy range between 0.2 keV and 1 keV, we detected about 38,000 sources with a hardness ratio below −0.94, covering a small sample of known white dwarfs found with eROSITA in the dataset to which the German eROSITA consortium has rights (half sky). Two hundred and sixty four of these soft sources have a probability of more than 90% to be a white dwarf. This is more than the 175 white dwarfs ROSAT found in the whole sky. Here we present the results of a pilot study to increase the sensitivity of eROSITA for soft sources by extending the detection threshold down to 0.1 keV. First tests with dedicated sky regions are promising.
Demographic Correlates of Autism: How Do Associations Compare Between Diagnosis and a Quantitative Trait Measure?
Authors: Lyall Kristen , Dickerson Aisha S. , Green Annette M. , Frndak Seth , Croen Lisa A. , Ames Jennifer L. , Avalos Lyndsay A. , Aschner Judy L. , Bush Nicole R. , Camargo Carlos A. , D'Sa Viren , Dager Stephen R. , Dunlop Anne L. , Ferrara Assiamira , Ganiban Jody M. , Gern James E. , Gissandaner Tre D. , Graff J. Carolyn , Hertz‐Picciotto Irva , Hipwell Alison E. , Ma Tengfei , Miller Meghan , Murphy Laura , Karagas Margaret R. , Kelly Rachel S. , Margolis Amy , Koinis‐Mitchell Daphne , McEvoy Cindy T. , Messinger Daniel , Nguyen Ruby , Oken Emily , Ozonoff Sally , Page Grier P. , Schantz Susan L. , Schmidt Rebecca J. , Shuster Coral L. , Schweitzer Julie B. , Sheinkopf Stephen J. , Stanford Joseph B. , Trevino Cindy O. , Weiss Scott T. , Volk Heather E. , Joseph Robert M. ,   program collaborators for Environmental influences on Child Health Outcomes
Published: January 2025

ABSTRACTPrevalence of autism diagnosis has historically differed by demographic factors. Using data from 8224 participants drawn from the Environmental influences on Child Health Outcomes (ECHO) Program, we examined relationships between demographic factors and parent‐reported autism‐related traits as captured by the Social Responsiveness Scale (SRS; T score > 65) and compared these to relations with parent‐reported clinician diagnosis of ASD, in generalized linear mixed effects regression analyses. Results suggested lower odds of autism diagnosis, but not of SRS T > 65, for non‐Hispanic Black children (adjusted odds ratio [OR] = 0.76, 95% CI 0.55, 1.06) relative to non‐Hispanic White children. Higher maternal education was associated with reduced odds of both outcomes (OR = 0.73, 95% CI 0.51, 1.05 for ASD autism diagnosis and 0.4, 95% CI 0.29, 0.55 for SRS score). In addition, results suggested a lower likelihood of autism diagnosis but a higher likelihood of an SRS score > 65 in Black girls. Findings suggest lower diagnostic recognition of autism in non‐Hispanic Black children, despite a similar degree of SRS‐assessed autism‐related traits falling in the clinically elevated range. Further work is needed to address this disparity.
Farfarae Flos Mitigates Cigarette Smoking‐Induced Lung Inflammation by Regulating the Lysophosphatidylcholine Biosynthesis and Tryptophan Metabolism
Authors: Liu Aoqi , Li Siyao , Dong Xianlong , Qin Xuemei , Li Zhenyu 
Published: January 2025

ABSTRACTAn increased risk of developing respiratory diseases has been linked to exposure to cigarette smoking (CS). The flower buds of Tussilago farfara L., also known as Farfarae Flos (FF), can be used for the treatment of cough, bronchitis, and asthmatic disorders in China. In the present study, we used lung and fecal metabolomics, as well as the intestinal flora analysis, aimed to investigate the protective effect of FF against the CS exposure induced lung inflammation on mice. The results showed that FF administration could relieve the lung inflammation as demonstrated by lung index, interleukin‐6 (IL‐6), and interleukin‐1β (IL‐1β) levels, as well as the pulmonary pathological change. The lung metabolomics coupled with molecular docking showed that FF could alleviate lung inflammation by regulating lysophosphatidylcholine biosynthesis through the caffeoyl quinic acids distributed in the lung tissue. In addition, fecal metabolome coupled with 16S rRNA gene sequencing showed that FF could regulate the tryptophan metabolism by regulating the intestinal flora disorders. This study provided new insights of FF to relieve CS‐induced pulmonary inflammation with the multimechanism.
Polymer Electrolytes for Compatibility With NCM Cathodes in Solid‐State Lithium Metal Batteries: Challenges and Strategies
Authors: Lin Zhiyuan , Li Yunhang , Ding Peipei , Lin Chenxiao , Chen Fang , Yu Ruoxin , Xia Yonggao 
Published: January 2025

ABSTRACTPolymer electrolytes (PEs) compatible with NCM cathodes in solid‐state lithium metal batteries (SSLMBs) are gaining recognition as key candidates for advanced electrochemical storage, offering significant safety and stability. Nevertheless, the inherent properties of PEs and interactions at the interface with NCM cathodes are pivotal in influencing SSLMBs' overall performance. This review offers an in‐depth examination of PEs, focusing on design strategies that leverage electron‐group electronegativity for molecular structure adjustments. Furthermore, it delves into the challenges presented by the interface between PEs and NCM cathodes, including issues like poor interface contact, interface reactions, and elevated resistance. The review also discusses a range of strategies aimed at stabilizing these interfaces, such as applying surface coatings to NCM, optimizing the structure of PEs, and employing in situ polymerization techniques to improve compatibility and battery efficiency. The conclusion offers insights into future developments, highlighting the importance of electron‐group optimization and the adoption of effective methods to enhance interface stability and contact, thus advancing the practical implementation of high‐performance SSLMBs.
Cumulative Risk and Cumulative Protection: Relative Contributions to Predicting Substance Use, Antisocial Behaviour and Mental Health Across Development
Authors: Halvorson Max A. , Caouette Justin D. , Briney John S. , Kuklinski Margaret R. , Oesterle Sabrina , Hawkins J. David 
Published: January 2025

ABSTRACTBackgroundCumulative risk scores predict negative outcomes including antisocial behaviour and mental health. Less work has examined the role of cumulative protection, despite the availability of preventive interventions focused on bolstering protection across domains. Understanding links between cumulative risk and protection measured in childhood and later outcomes can help to guide the timing of prevention programmes.AimsThe study aimed to understand the relative contributions of early adolescent cumulative risk and cumulative protection in Grade 6 on distal outcomes six to seven years later, at ages 18–19.MethodsData are from the Community Youth Development Study, a community‐randomised trial of the Communities That Care prevention system. The analysis sample consisted of 2002 participants from 12 control communities. Logistic regression models were estimated to quantify the main and interactive effects of Grade 6 cumulative risk and protection on alcohol, tobacco and cannabis use; antisocial behaviour, and depression at ages 18–19.ResultsWhen considered in separate models, cumulative risk and protection were each associated with later alcohol, tobacco and cannabis misuse; antisocial behaviour and depression. When considered together, coefficients for cumulative protection were attenuated, whereas coefficients for cumulative risk remained similar in magnitude. Cumulative risk was associated with larger outcome prevalence differences (average of 9%) than cumulative protection (average of 2%). Evidence for risk‐protection interactions was not observed.ConclusionsAlthough early adolescent cumulative protection was associated with later outcomes, these associations were largely reduced when considering cumulative risk. Findings emphasise the importance of addressing cumulative risk when designing preventive interventions.
Mechanical Circulatory Support With Impella in High‐Risk Patients With Chronic Total Occlusion and Complex Multivessel Disease
Authors: Gallo Ignacio , Azzalini Lorenzo , González‐Manzanares Rafael , Moscardelli Silvia , Jurado‐Román Alfonso , Maestre Luis Carlos , Suarez de Lezo Javier , Hidalgo Francisco , Perea Jorge , Díaz Manuel , Ojeda Soledad , Pan Manuel 
Published: January 2025

ABSTRACTBackgroundThe therapeutic management of patients with multivessel disease and severe left ventricular dysfunction is complex and controversial.AimsThe aim of this study was to analyze the clinical outcomes and the changes in left ventricular ejection fraction (LVEF) in patients with severe left ventricular dysfunction and at least one chronic total occlusion (CTO) undergoing percutaneous coronary intervention (PCI) with hemodynamic support provided by Impella.MethodsRetrospective, multicenter study enrolling patients with severe left ventricular dysfunction and severe coronary artery disease with at least one CTO who required percutaneous mechanical circulatory support with Impella, from January 2019 to December 2023. The primary endpoints were the incidence of MACE (composite of cardiovascular death, acute myocardial infarct, and target lesion revascularization) at 90 days. The secondary endpoint was changes in LVEF and functional class during the same period.ResultsA total of 27 patients (34 CTOs) were included in the study. The mean SYNTAX score was 35 ± 11. The median J‐CTO score of 2 (1–3). At 90 day of follow‐up, there were three MACE (11%), two cardiovascular deaths and one TLR; three vascular complications were related to access for the Impella device (only one required invasive treatment); and LVEF improved significantly after revascularization (delta LVEF: 10% [CI 95% 6, 15]). A total of 81% of patients improved their angina or dyspnea status at 90 days.ConclusionsIn high‐risk patients with severe left ventricular dysfunction with complex coronary disease including CTO, PCI with mechanical circulatory support using the Impella device is associated with favorable safety and efficacy outcomes at short‐term follow‐up.
DNA Origami Adsorption and Lattice Formation on Different SiOx Surfaces
Authors: Pothineni Bhanu Kiran , Theile‐Rasche Chantal , Müller Hendrik , Grundmeier Guido , de los Arcos Teresa , Keller Adrian 
Published: January 2025

AbstractSelf‐assembled DNA origami lattices on silicon oxide surfaces have great potential to serve as masks in molecular lithography. However, silicon oxide surfaces come in many different forms and the type and history of the silicon oxide has a large effect on its physicochemical surface properties. Therefore, we here investigate DNA origami lattice formation on differently fabricated SiOx films on silicon wafers after wet‐chemical oxidation by RCA1. Despite having similar oxide compositions and hydroxylation states, of all surfaces tested, only thermally grown SiOx performs similarly well as native oxide. For the other SiOx films deposited by plasma‐enhanced chemical vapor deposition and magnetron sputtering, DNA origami adsorption is strongly suppressed. This is attributed to an increased surface roughness and a lower oxide density, respectively. Our results demonstrate that the employed SiOx surface may decide over the outcome of an experiment and should be considered as an additional parameter that may require optimization and fine‐tuning before high‐quality lattices can be assembled. In particular, our observations suggest that efficient DNA origami lattice assembly on SiOx surfaces requires a low surface roughness and a high oxide density.
Construction of UCST‐Responsive Claw‐Like Polysulfobetaines for Efficient Capture of Cellulase
Authors: Li Feiyun , Liang Huinan , Li Helin , Tang Yanjun 
Published: January 2025

AbstractThe high cost of enzymatic glycolysis has seriously restricted the industrialization of lignocellulose‐based sugar platform technology. Recovering and recycling cellulase can reduce the cost. Here, a thermo‐responsive claw‐type polysulfobetaine (PSPA) was constructed for hydrophobic grasping and efficient recycling of cellulase. Compared with the linear sulfobetaine homopolymer (PSPE), PSPA had more sensitive temperature response and strong cellulase recovery ability. PSPE‐3 (Mw=355.1 kDa) was added to the hydrolysis system of corncob residue (CCR) (50 °C), at 0.4 mass ratio of PSPE‐3 to cellulase, and after enzymatic hydrolysis, 50 % of the cellulase was saved when cooling to 25 °C. But only 0.05 times PSPA‐1 (Mw=30.0 kDa) was added to the CCR system, and 70 % of the cellulase was saved when cooling to 25 °C. This work presents a claw shaped protein‐capture agent, polysulfobetaine for capturing cellulase, which is of great significance to reduce the lignocellulosic hydrolysis cost, and efficiently separate enzyme proteins.
[1+5] Cyclization of Indoline‐Derived Azadienes with 1,3,5‐Triazinanes: An Efficient Protocol for the Synthesis of Indoline‐Spiro‐Hexahydropyrimidines
Authors: Wang Chuan‐Chuan , Wang Qing‐Long , Ren Meng‐Ru , Xue Yao‐Jie , Wang Zhi‐Hao , Hou Xue‐Hui , Ma Zhi‐Wei , Xie Ying‐Xin , Chen Ya‐Jing 
Published: January 2025

AbstractAn unprecedented formal [1+5] cyclization of indoline‐derived azadienes with 1,3,5‐triazinanes has been realized, providing a facile access to biologically important indoline‐spiro‐hexahydropyrimidines with good to excellent yields (up to 99 % yield). Different from previous reports, this is the first study that indoline‐derived azadienes could participate in cyclizations as one‐atom synthons. This methodology is also distinguished by not involving any additive or catalyst, readily available starting materials, wide range of substrate applicability, operational simplicity and simultaneously reassembling two C−N and two C−C bonds in one‐step reaction.
Seeing in the Future – a Perspective on Combining Light with Chemical Biology Approaches to Treat Retinal Pathologies
Authors: Specht Alexandre , Klimezak Maxime , Cambridge Sidney 
Published: January 2025

AbstractNew concepts to treat eye diseases have emerged that elegantly combine unnatural light exposure with chemical biology approaches to achieve superior cellular specificity and, as a result, improvement of visual function. Historically, light exposure without further molecular eye treatment has offered limited success including photocoagulation to halt pathological blood vessel growth or low light exposure to stimulate retinal cell viability. To add cellular specificity to such treatments, researchers have introduced various biological or chemical light‐sensing molecules and combined those with light exposure. (Pre‐)clinical trials describe the use of optogenetics and channelrhodpsins, i. e. light‐sensitive ion channels, in patient vision restoration. In the chemical arena, pharmacological agents, rendered light‐sensitive by reversible modification with photosensitive protecting compounds (“caging”), have been applied to eyes of living mice to photo‐release specific cellular activities. Among these were successful proof‐of‐principle experiments that were conducted to establish photo‐sensitive gene therapies in the eye. For light‐mediated treatment in combination with chemical biology, we wish to describe here the current frontiers of research in vision restoration with an eye on differences between biological and chemical light‐sensing molecules, patient requirements, and future outlooks.
Redox Dependent Color Modulating Copper(I) Complex for Flexible Electrochromic Device
Authors: Kharabe Laxman Sarjerao , Sahu Bhumika , Mishra Shivendu , Kumar Rajesh , Raghuvanshi Abhinav 
Published: January 2025

AbstractPursuing the development of eco‐friendly, cost‐effective and flexible materials that offer high‐color contrast and low power consumption is a promising approach for advancing the next‐generation optoelectronic devices. Herein, we report the synthesis of a heteroleptic copper(I) complex [Xantphos‐Cu‐cmdf]PF6 (C1), in high yield, using Xantphos and cmdf ligands. The complex has high thermal stability and displays low‐energy absorption between 360 and 470 nm due to the metal‐to‐ligand charge transfer (MLCT) transition. The electrochemical analysis confirmed the electrochromic properties of C1. A bilayer electrochromic device (ECD) incorporating P3HT and C1 demonstrated excellent color modulation (45 %) and rapid switching times (less than one second). Furthermore, the flexible ECD utilizing C1 showed superior performance compared to its solid‐state counterpart, with high efficiency (~200 cm2/C), color modulation (69 %) and sub‐second switching times. The high coloration efficiency and fast switching time of the ECDs developed from stable and cost‐effective Cu(I) complex, C1, make it a promising candidate for real‐world electrochromic applications.