bluuebunny/crossref_metadata_2025_split huggingface dataset:
Near‐Infrared Materials: The Turning Point of Organic Photovoltaics
Authors: Meng Dong , Zheng Ran , Zhao Yepin , Zhang Elizabeth , Dou Letian , Yang Yang 
Published: October 2021

AbstractNear‐infrared (NIR)‐absorbing organic semiconductors have opened up many exciting opportunities for organic photovoltaic (OPV) research. For example, new chemistries and synthetical methodologies have been developed; especially, the breakthrough Y‐series acceptors, originally invented by our group, specifically Y1, Y3, and Y6, have contributed immensely to boosting single‐junction solar cell efficiency to around 19%; novel device architectures such as tandem and transparent organic photovoltaics have been realized. The concept of NIR donors/acceptors thus becomes a turning point in the OPV field. Here, the development of NIR‐absorbing materials for OPVs is reviewed. According to the low‐energy absorption window, here, NIR photovoltaic materials (p‐type (polymers) and n‐type (fullerene and nonfullerene)) are classified into four categories: 700–800 nm, 800–900 nm, 900–1000 nm, and greater than 1000 nm. Each subsection covers the design, synthesis, and utilization of various types of donor (D) and acceptor (A) units. The structure–property relationship between various kinds of D, A units and absorption window are constructed to satisfy requirements for different applications. Subsequently, a variety of applications realized by NIR materials, including transparent OPVs, tandem OPVs, photodetectors, are presented. Finally, challenges and future development of novel NIR materials for the next‐generation organic photovoltaics and beyond are discussed.
Construction of 3D Conductive Network in Liquid Gallium with Enhanced Thermal and Electrical Performance
Authors: Xing Wenkui , Chen Shen , Wang Han , Liu Wendong , Zheng Jiashu , Zheng Feiyu , Li Xiaomin , Tao Peng , Shang Wen , Fu Benwei , Wu Jianbo , Song Chengyi , Li Baowen , Deng Tao 
Published: October 2021

AbstractThis paper reports the generation of 3D thermal and electrical conductive graphene network in gallium‐based liquid metal (LM) via a simple one‐step ball‐milling approach. In this work, 2D graphene nanoplates and their derivatives were employed to construct 3D thermal and electrical conductive filler networks. It is demonstrated that the obtained composite exhibits the highest 3D thermal conductivity (44.6 W m−1 K−1) among the other gallium‐based LM composites with 2D inorganic nanofillers and distinguished electrical conductivity (8.3 S µm−1) among gallium‐based LM composites at present. The enhanced thermal conductivity and wettability of gallium‐based composite lead to its beneficial usage as thermal interface materials with exquisite texture for LED chip heat dissipation. The electrochemical and magnetic experiments confirm that these LM‐based composites can also be controlled under external electrical or magnetic field, which potentially can help extend their application in external field‐driven systems. The findings of this work offer new insight in designing LM‐based composites with enhanced thermal, electrical, and magnetic properties for a wide range of applications, including thermal management systems, 3D printing, flexible conductors, soft robotic systems, and wearable energy technologies.
Air Quality Index Prediction Based on an Adaptive Dynamic Particle Swarm Optimized Bidirectional Gated Recurrent Neural Network–China Region
Authors: Li Ping , Wang Shengwei , Ji Hao , Zhan Yulin , Li Honghong 
Published: October 2021

AbstractAccurate predictions of the air quality index (AQI) is critical for pollution control and air quality warning. However, this is challenging because of the nonlinearity of data and the uncertainty between data relationships. This paper proposes a combinatorial model based on an improved adaptive dynamic particle swarm optimization (ADPSO) algorithm to optimize a bidirectional gated recurrent unit (BiGRU) neural network to predict AQI time series and capture data dependence. The ADPSO method incorporates a dynamic spatial search strategy into the standard particle swarm optimization method, allowing the parameters to be dynamically adjusted to balance global and local search capabilities, thus improving the performance and effectiveness of this optimization process. Compared to the BiGRU model, the PSO‐BiGRU model, and the radial basis neural,the results of the improved algorithm reveal that the root mean square error (RMSE), mean absolute error (MAE), and mean absolute percentage error (MAPE) of the ADPSO‐BiGRU predicted air pollution index are smaller than the errors of the other three models. The accuracy of the ADPSO‐BiGRU prediction model is higher than that of the other models, and it aids in the development of effective regional air quality management policies to reduce the negative impacts of pollution.
THOC2 and THOC5 Regulate Stemness and Radioresistance in Triple‐Negative Breast Cancer
Authors: Bai Xupeng , Ni Jie , Beretov Julia , Wang Shanping , Dong Xingli , Graham Peter , Li Yong 
Published: October 2021

AbstractTriple‐negative breast cancer (TNBC) is the most aggressive subtype of breast cancer. Radioresistance and stemness are substantial obstacles to TNBC treatment. The THO complex (THOC) is a subunit of the TRanscription–EXport complex that functions in the coupling of transcription to nascent RNA splicing, elongation, and export. However, its role in regulating TNBC therapeutic resistance is not reported yet. In this study, the authors demonstrate that cancer stem cells are enriched in radioresistant TNBC cells and describe the role of the THOC in regulating TNBC radioresistance and stemness. The authors find that THOC2 and THOC5 are upregulated in radioresistant TNBC cells and associated with a poor prognosis in TNBC patients. Further investigation reveals that THOC2 promotes the stem‐like properties and radioresistance of TNBC cells in a THOC5‐dependent manner by facilitating the release of sex‐determining region Y (SRY)‐box transcription factor 2 (SOX2) and homeobox transcription factor (NANOG) transcripts from the nucleus. Silencing THOC2 or THOC5 expression decreases the protein expression of SOX2 and NANOG, depletes the stem‐like properties, and causes radiosensitization in these TNBC cells. Moreover, THOC2 or THOC5 depletion blocks the xenograft tumorigenesis and growth of radioresistant TNBC in vivo. These findings uncover the novel correlations of THOC with TNBC stemness and therapeutic resistance, proposing alternative therapeutic strategies against relapsed TNBC.
Engineering Catalytic CoSe–ZnSe Heterojunctions Anchored on Graphene Aerogels for Bidirectional Sulfur Conversion Reactions
Authors: Ye Zhengqing , Jiang Ying , Yang Tianyu , Li Li , Wu Feng , Chen Renjie 
Published: October 2021

AbstractSluggish sulfur reduction and lithium sulfide (Li2S) oxidation prevent the widespread use of lithium–sulfur (Li–S) batteries, which are attractive alternatives to Li−ion batteries. The authors propose that a transition metal selenide heterojunction (CoSe–ZnSe) catalytically accelerates bidirectional sulfur conversion reactions. A combination of synchrotron X‐ray absorption spectroscopy and density functional theory calculations show that a highly active heterointerface with charge redistribution and structure distortion effectively immobilizes sulfur species, facilitates Li ion diffusion, and decreases the sulfur reduction and Li2S oxidation energy barriers. The CoSe–ZnSe catalytic cathode exhibits high areal capacities, good rate capability, and superior cycling stability with capacity fading rate of 0.027% per cycle over 1700 cycles. Furthermore, CoSe–ZnSe heterojunctions anchored on graphene aerogels (CoSe–ZnSe@G) enhance ionic transport and catalytic activity under high sulfur loading and lean electrolyte conditions. A high areal capacity of 8.0 mAh cm−2 is achieved at an electrolyte/sulfur ratio of 3 µL mg−1. This study demonstrates the importance of bidirectional catalytic heterojunctions and structure engineering in boosting Li–S battery performances.
Controlled Synthesis of Ultrathin PtSe2 Nanosheets with Thickness‐Tunable Electrical and Magnetoelectrical Properties
Authors: Ma Huifang , Qian Qi , Qin Biao , Wan Zhong , Wu Ruixia , Zhao Bei , Zhang Hongmei , Zhang Zucheng , Li Jia , Zhang Zhengwei , Li Bo , Wang Lin , Duan Xidong 
Published: October 2021

AbstractThickness‐dependent chemical and physical properties have gained tremendous interest since the emergence of two‐dimensional (2D) materials. Despite attractive prospects, the thickness‐controlled synthesis of ultrathin nanosheets remains an outstanding challenge. Here, a chemical vapor deposition (CVD) route is reported to controllably synthesize high‐quality PtSe2 nanosheets with tunable thickness and explore their thickness‐dependent electronic and magnetotransport properties. Raman spectroscopic studies demonstrate all Eg, A1g, A2u, and Eu modes are red shift in thicker nanosheets. Electrical measurements demonstrate the 1.7 nm thick nanosheet is a semiconductor with room temperature field‐effect mobility of 66 cm2 V−1 s−1 and on/off ratio of 106. The 2.3–3.8 nm thick nanosheets show slightly gated modulation with high field‐effect mobility up to 324 cm2 V−1 s−1 at room‐temperature. When the thickness is over 3.8 nm, the nanosheets show metallic behavior with conductivity and breakdown current density up to 6.8 × 105 S m–1 and 6.9 × 107 A cm−2, respectively. Interestingly, magnetoresistance (MR) studies reveal magnetic orders exist in this intrinsically non‐magnetic material system, as manifested by the thickness‐dependent Kondo effect, where both metal to insulator transition and negative MR appear upon cooling. Together, these studies suggest that PtSe2 is an intriguing system for both developing novel functional electronics and conducting fundamental 2D magnetism study.
Viable Mixing Protocol Based on Formulated Equations for Achieving Desired Molecular Weight and Maximal Charge Separation of Photovoltaic Polymer
Authors: Lee Byongkyu , Kim Seoyoung , Nho Hak‐Won , Oh Jiyeon , Park Geunhyung , Jeong Mingyu , Cho Yongjoon , Lee Sang Myeon , Kwon Oh‐Hoon , Yang Changduk 
Published: October 2021

AbstractA major difficulty in the polymer solar cell (PSC) community is discovering a methodology capable of accessing polymeric photovoltaic materials with controllable/predictable molecular weights. Effective mathematical equations that enable the reproduction of polymer batches with precisely controlled molecular weight, by mixing as‐synthesized polymer batches with the ones that have different molecular weights, are formulated in this study. The properties of both the as‐synthesized and mixed‐different‐molecular weight PM6 polymer series are systematically investigated to determine the effect of molecular weight on the performance of related PSCs. The power conversion efficiencies (PCEs) improve monotonically with an increase in weight average molecular weight (Mw) up to 120 kDa, but a further increase in Mw results in a sharp decline in PCE. This trend in PCEs is correlated with the charge‐separation efficacy as a function of the balance between the counteracting domain size and packing in the blends. Further, decreasing the polydispersity index in the optimal‐molecular weight PM6 sample produces a small but noticeable positive effect on device performance, yielding the best PCE of 16.5%. This viable mixing approach is useful in producing desirable molecular weight polymers, facilitating the development of high‐quality, high‐reproducibility photovoltaic polymers.
Iron deficiency and fatigue among adolescents with bleeding disorders
Authors: Zia Ayesha , Stanek Joseph , Christian‐Rancy Myra , Savelli Stephanie , O'Brien Sarah H. 
Published: October 2021

AbstractIron deficiency anemia is associated with heavy menstrual bleeding (HMB) and, by extension, a bleeding disorder (BD). It is unknown if iron deficiency without anemia is associated with a BD in adolescents. Moreover, the threshold of ferritin associated with fatigue in adolescents with HMB is unclear. In this multicenter study, we enrolled adolescents with HMB without BD. Participants underwent BD and anemia work‐up in Young Women's Hematology Clinics and completed the Peds QL™ fatigue scale. BDs were defined as von Willebrand Disease, platelet function defect, clotting factor deficiencies, and hypermobility syndrome. Two hundred and fifty consecutive adolescents were enrolled, of whom 196 met eligibility criteria. Overall, 43% (95% confidence interval: 36%–50%) were diagnosed with BD. A total of 61% (n = 119) had serum ferritin levels < 15 ng/mL, 23.5% (n = 46) had iron deficiency only, and 37% (n = 73) had iron deficiency anemia. Low ferritin or ferritin dichotomized as < 15 or ≥ 15 ng/mL was not associated with BD on univariable analysis (p = .24) or when accounting for age, race, ethnicity, body mass index, and hemoglobin (p = .35). A total of 85% had total fatigue score below the population mean of 80.5, and 52% (n = 102) were > 2 SD (or < 54) below the mean, the cut‐off associated with severe fatigue. A ferritin threshold of < 6 ng/mL had a specificity of 79.8% but a sensitivity of 36% for severe fatigue. In conclusion, iron deficiency without anemia is not a predictor of BD in adolescents with HMB in a specialty setting. Severe fatigue, especially sleep fatigue, is prevalent in adolescents with BD. Ferritin of < 6 ng/mL has ~80% specificity for severe fatigue in adolescents with HMB.
Expanding the genetic and phenotypic spectrum of CHD2‐related disease: From early neurodevelopmental disorders to adult‐onset epilepsy
Authors: De Maria Beatrice , Balestrini Simona , Mei Davide , Melani Federico , Pellacani Simona , Pisano Tiziana , Rosati Anna , Scaturro Giusi M. , Giordano Lucio , Cantalupo Gaetano , Fontana Elena , Zammarchi Cristina , Said Edith , Leuzzi Vincenzo , Mastrangelo Mario , Galosi Serena , Parrini Elena , Guerrini Renzo 
Published: October 2021

AbstractCHD2 encodes the chromodomain helicase DNA‐binding protein 2, an ATP‐dependent enzyme that acts as a chromatin remodeler. CHD2 pathogenic variants have been associated with various early onset phenotypes including developmental and epileptic encephalopathy, self‐limiting or pharmacoresponsive epilepsies and neurodevelopmental disorders without epilepsy. We reviewed 84 previously reported patients carrying 76 different CHD2 pathogenic or likely pathogenic variants and describe 18 unreported patients carrying 12 novel pathogenic or likely pathogenic variants, two recurrent likely pathogenic variants (in two patients each), three previously reported pathogenic variants, one gross deletion. We also describe a novel phenotype of adult‐onset pharmacoresistant epilepsy, associated with a novel CHD2 missense likely pathogenic variant, located in an interdomain region. A combined review of previously published and our own observations indicates that although most patients (72.5%) carry truncating CHD2 pathogenic variants, CHD2‐related phenotypes encompass a wide spectrum of conditions with developmental delay/intellectual disability (ID), including prominent language impairment, attention deficit hyperactivity disorder and autistic spectrum disorder. Epilepsy is present in 92% of patients with a median age at seizure onset of 2 years and 6 months. Generalized epilepsy types are prevalent and account for 75.5% of all epilepsies, with photosensitivity being a common feature and adult‐onset nonsyndromic epilepsy a rare presentation. No clear genotype–phenotype correlation has emerged.
Genetically Determined Low‐Density Lipoprotein Cholesterol and Risk of Subarachnoid Hemorrhage
Authors: Acosta Julián N. , Both Cameron P. , Szejko Natalia , Leasure Audrey C. , Abdelhakim Safa , Torres‐Lopez Victor M. , Brown Stacy C. , Matouk Charles C. , Gunel Murat , Sheth Kevin N. , Falcone Guido J. 
Published: October 2021

We evaluated whether genetically elevated low‐density lipoprotein cholesterol (LDL‐C) levels are associated with lower risk of intracranial aneurysms and subarachnoid hemorrhage (IA/SAH). We conducted a 2‐sample Mendelian randomization (MR) study. Our primary analysis used the inverse‐variance weighted method. In secondary analyses, we implemented the MR‐PRESSO method, restricted our analysis to LDL‐C–specific instruments, and performed multivariate MR. A 1‐mmol/l increase in genetically instrumented LDL‐C levels was associated with a 17% lower risk of IA/SAH (odds ratio = 0.83, 95% confidence interval = 0.73–0.94, p = 0.004). Results remained consistent in secondary and multivariate analyses (all p < 0.05). Our results provide evidence for an inverse causal relationship between LDL‐C levels and risk of IA/SAH. ANN NEUROL 2022;91:145–149
Crossed Regio‐ and Enantioselective Iron‐Catalyzed [4+2]‐Cycloadditions of Unactivated Dienes
Authors: Braconi Elena , Cramer Nicolai 
Published: October 2021

AbstractThe cyclohexene motif is ubiquitous in nature and specialty chemicals. A straightforward selective access to chiral cyclohexenes from unactivated dienes and dienophiles is not feasible by classical Diels–Alder reaction and constitutes an unsolved synthetic challenge. We report a mild and enantioselective iron‐catalyzed cross‐[4+2]‐cycloaddition of unactivated dienes providing access to chiral 1,3‐substituted vinyl‐cyclohexenes. The development of bis‐dihydroisoquinoline ligands was vital to obtain iron complexes that display high reactivities and excellent chemo‐, regio‐ and enantioselectivities towards the targeted cyclohexenes. A range of diene substrates is well accommodated including feedstocks like butadiene, isoprene and myrcene. The structures of different iron complexes are mapped by X‐ray crystallographic analysis and linked to their performance.
Highly Processable Covalent Organic Framework Gel Electrolyte Enabled by Side‐Chain Engineering for Lithium‐Ion Batteries
Authors: Liu Ziya , Zhang Kun , Huang Guoji , Xu Bingqing , Hong You‐lee , Wu Xiaowei , Nishiyama Yusuke , Horike Satoshi , Zhang Gen , Kitagawa Susumu 
Published: October 2021

AbstractAlthough covalent organic frameworks (COFs) with a graphene‐like structure present unique chemical and physical properties, they are essentially insoluble and infusible crystalline powders with poor processability, hindering their further practical applications. How to improve the processability of COF materials is a major challenge in this field. In this contribution, we proposed a general side‐chain engineering strategy to construct a gel‐state COF with high processability. This method takes advantages of large and soft branched alkyl side chains as internal plasticizers to achieve the gelation of the COF. We systematically studied the influence of the length of the side chain on the COF gel formation. Benefitting from their machinability and flexibility, this novel COF gel can be easily processed into gel‐type electrolytes with specific shape and thickness, which were further applied to assemble lithium‐ion batteries that exhibited high cycling stability.
Synthesis, characterization, antimicrobial, and docking study of novel 1‐(furanyl)‐3‐(pyrrolyl)propenone‐based ligand and its chelates of 3d‐transition metal ions
Authors: Zayed Ehab M. , Zayed Mohamed A. , Radwan Mohamed A. A. , Alminderej Fahad M. 
Published: October 2021

AbstractThe novel ligand (L) 1‐(furanyl)‐3‐(pyrrolyl)propenone had been synthesized, and its novel chelates of some 3d series of transition metal ions had been prepared and characterized. The structural properties of the titled compounds were explored using elemental analyses, spectroscopic techniques (UV–visible, MS, and FT‐IR), molar conductivity, and magnetic susceptibility measurements. The scanning electron microscope (SEM) showed that the ligand and its metal chelates exist in stick crystallized structures and sizes of their molecules can exist in nanoform. Thermal analyses techniques (TG and DTA) measured the investigated chelates during their thermal degradation to elucidate their structures. It was proved that ligand (L) acts as bibasic bidentate ligand coordinating to metal cations via its two oxygen atoms of carbonyl and epoxy groups. The optimization of the structural formula for the examined ligand had been performed by using Gaussian 09 program. The energy gaps were calculated using the DFT/B3LYP method. The ligand and its chelates had been fixed to have consistent bond lengths and bond angles that proved via quantum chemical factors. The ligand (L) and its transition metal chelates had been tested for their antibacterial activities. In vitro biological properties for ligand (L) and its transition metal complexes were carried out against Gram‐positive bacteria (Bacillus subtilis and Staphylococcus aureus) and Gram‐negative bacteria (Escherichia coli and Pseudomonas aeruginosa) by agar diffusion technique. The results showed that title compounds are biologically active than the parent ligand in their sticks crystalline and possible nanostructures and consequently large surface interactions. Molecular docking showed favorable interaction between ligand and crystal structures of 3t88 E. coli, 3ty7 S. aureus, 5h67 B. subtilis, and 5i39 P. aeruginosa. This docking study proved that nanosize of ligand helps it to interact efficiently with proteins of bacteria.
Synthesis of tannic acid‐terephthalyl chloride modified rubber powder for the fabrication of tannic acid‐terephthalyl chloride‐rubber/styrene‐butadiene‐styrene modified asphalt
Authors: Wang Shanshan , Muhammad Yaseen , Mao Canyun , Xing Susu , Xiong Wei , Jiang Hao , Li Jing 
Published: October 2021

AbstractHerein, tannic acid‐terephthalyl chloride (TA‐TPC) was prepared and was applied for the preparation of TA‐TPC‐Rubber to composite styrene butadiene styrene (SBS)‐modified asphalt (SBSMA). Fourier transform infrared spectroscopy and scanning electron microscopy indicated that TA‐TPC successfully attached to the surface of rubber powder (RP), which improved the bonding between RP and SBSMA. Fluorescence microscopy analysis showed that TA‐TPC‐Rubber formed a complete crosslinking network structure in SBSMA, while thermogravimetry analysis proved the higher thermal stability of TA‐TPC‐Rubber/SBSMA. Dynamic shear rheometer and multi‐stress creep recovery tests confirmed that compared with SBSMA, the storage modulus (G') and loss modulus (G") of 12% TA‐TPC‐Rubber/SBSMA at 46°C were increased by 37.14% and 34.36%, respectively, the recovery rate was increased by 35.49% (0.1 kPa) and 31.91% (3.2 kPa) while the average creep compliance was decreased by 68.67% (0.1 kPa) and 59.87% (3.2 kPa). The phase segregation test proved that the compatibility between RP and SBSMA was improved by the modification of TA‐TPC, and the difference between the upper and lower softening points were reduced by 53.85%. The findings of this study can be of great significance for designing modified asphalt from cost‐effective raw materials through a convenient process for highways and construction applications.