bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐performance Ternary Organic Solar Cells With Spectral Uniform Photocurrent Generation by Enhanced Förster Resonance Energy Transfer Induced Reverse Hole Transfer
Authors: Ran Guangliu , Lu Hao , Liu Yahui , Lv Tanjin , Bo Zhishan , Zhang Wenkai 
Published: December 2024

AbstractThe three‐in‐one strategy has obvious advantages in improving the power conversion efficiency of organic solar cells (OSCs). In this work, ternary OSCs are constructed with D18:BTP‐eC9‐4F as the host active layer and SM16, a non‐fullerene acceptor with 3D terminal groups and high fluorescence quantum yield (PLQY), as the ternary component. The optimal ternary OSCs have a power conversion efficiency (PCE) of 19.28%. The device performance and the excited state dynamics of ternary OSCs with various BTP‐eC9‐4F/SM16 weight ratios are studied. The device performance results show that the high PLQY of SM16 reduces the non‐radiative energy loss and improves the open circuit voltage. The 3D terminal group and high solubility of SM16 are conducive to adjusting the morphology and benefit in forming bi‐continuous interpenetrating networks, thus facilitating the photocurrent generation, and improving the fill factor. Femtosecond transient absorption spectra show that the proper introduction of SM16 can improve the Förster resonance energy transfer rate and thus improve the reverse hole transfer efficiency. This helps improve the charge generation efficiency and achieves a higher PCE. This study highlights the potential of the 3D terminal group acceptors with high PLQY as a ternary component material for improving the PCE of ternary OSCs.
Interfacial‐Aligned and High Conductive 1T‐MoS2@Ti3C2Tx Heterostructure Nonwoven Fabric for Robust Deformable Supercapacitors
Authors: Ye Siyuan , Zhang Yongzhe , An Chengzhi , Xiang Shuangfei , Wu Guan 
Published: December 2024

AbstractWith the urgent demand for wearable electronics and smart textiles in modern society, fabric‐based supercapacitors (FSCs) have attracted increasing attention due to their easy wearable integration, high power density, and long‐term stability. However, the low energy density and deformable capability of energy supply cause the limitations of actual applications. Here, a 1T‐MoS2@Ti3C2Tx heterostructure nonwoven fabric (NWF) with high interfacial adhesion, electrical conductivity, and mechanical deformability is developed, which is of great significance for the unitization as an advanced FSCs electrode. Owing to the designed heterostructure with aligned active interface, high conductive network, and in situ interfacial coupling, the 1T‐MoS2@Ti3C2Tx NWF exhibits low ion adsorption barrier, fast ion diffusion kinetics, and accelerated electron transport, resulting in large capacitance (425 F g−1) and high cycling stability (20 000 cycles) in 1 m H2SO4 electrolyte. Additionally, the corresponding solid‐state asymmetric deformable supercapacitors (D‐SCs) provide a high energy density of 119.3 µWh cm−2 at a power density of 800.8 µW cm−2, realizing the practical applications for powering electroluminescent device, 2‐D code, and sound‐controlled electronic fan. More importantly, the D‐SCs exhibit robust deformable power‐supply capability, maintaining 82.1%, 84.6%, and 89.9% capacity retentions after 2000 cycles of folding, twisting, and bending conditions, respectively.
Local Electron Spin‐State Modulation at Mn Site for Advanced Sodium‐Ion Batteries with Fast‐Kinetic NaNi0.33Fe0.33Mn0.33O2 Cathode
Authors: Yao Jun , Wang Xianshu , Hu Peng , Fan Jiahong , Yang Xiaoping , Jiang Weihong , Jiang Siwei , Dong Peng , Zhang Yingjie , Duan Jianguo , Zhou Zhongren 
Published: December 2024

AbstractO3‐type cathode material with high theoretical capacity possesses significant potential for sodium ion batteries (SIBs). However, the irreversible phase transition, structural volume change and poor Na+ transmission efficiency, caused by Jahn–Teller distortion of Mn3+, lead to the inferior cycling lifespan. Herein, the nonequilibrium‐driven local electron spin‐state modulation at Mn site with Sn4+ substitution is proposed to stabilize the NaNi0.33Fe0.33Mn0.33O2 cathode. With this, the controlled irreversible phase transition and volume expansion during charge/discharge and fast Na+ transportation channel is achieved. Therefore, the modulated NaNi0.33Fe0.33Mn0.33O2 cathode can contribute to improved capacity of 144.8 mAh g−1 at 0.1 C rate and long‐term cycling over 200 cycles with 80.1% retention by comparison with the counterpart (132.5 mAh g−1 at 0.1 C) and 54.1% retention. Noted that the elevated Na+ diffusion kinetics corresponding to high‐rate capability is also demonstrated (93.2 mAh g−1 at 10 C rate). Furthermore, the full battery equipped with hard carbon anode shows an energy density of 381.05 Wh kg−1 and the 76.8% retention after 200 cycles. This work highlights the regulation of electron spin‐state from the insight of modification Jahn–Teller effect would shed a new perception on the design for the advanced layered cathode materials and SIBs.
Ultrathin Mesoporous Nanosheet‐Nanoconfined Low‐Crystallinity Framework Membranes for Ultrafast and Highly Selective Hydrogen Separation
Authors: Xiao Yihao , Feng Yongyan , Huang Xinxi , Niu Kun , Liu Hai , Li Wanbin 
Published: December 2024

AbstractMembrane processes are energy‐saving and promising for the purification of hydrogen, which is critical to clean energy supply and carbon capture. Developing high‐performance separation membranes is of great scientific and practical interest. In this study, a concept of using mesoporous graphene oxide (MGO) nanosheets to guide nanoconfined growth of low‐crystallinity metal‐organic framework (LCM) membranes for precise gas sieving is reported. By utilization of nanowire‐electrochemical perforation and oxidation for GO, the MGO nanosheets are reconstructed with in‐plane mesopores and abundant reactive groups and can provide nanoconfinement effects of limiting reaction region, offering anchoring sites, changing precursor diffusion, and squeezing crystallization, for in situ growth of amorphous LCM layers between adjacent mesoporous nanosheets. Benefiting from ultrathin, defect‐free, low‐crystallinity, and robust properties, combined with reduced tortuosity of MGO and adjusted transport pathways of LCM, the MGO/LCM membranes exhibit substantially enhanced long‐term stability, moisture resistance, and separation capability, with high H2/CO2 selectivity of 104 and ultrafast H2 permeance of ≈4000 gas permeation units, which can surpass those of most state‐of‐the‐art membranes.
Dynamic Modulation of Afterglow Emission in Polymeric Phosphors via Inverse Opal Photonic Structures
Authors: Che Mengfen , Chen Xue , Wu Zhongbin , Xu Weidong , Suh Yung Doug , Wu Suli , Liu Xiaowang , Huang Wei 
Published: December 2024

AbstractTuning the afterglow of polymeric phosphors is critical for advancing their use in optical data storage and display technologies. Despite advancements in polymer matrix design and dopant engineering, achieving dynamic control over afterglow intensity remains a significant challenge. In this study, a novel approach is introduced for dynamically tuning the afterglow of polymeric phosphors by integrating them into an inverse opal photonic structure. By precisely aligning the photonic stopband of the inverse opal structure with the afterglow band of the polymer film, a remarkable 15‐fold enhancement in afterglow intensity is achieved. This enhancement is tunable, decreasing from 15 to 1.2 by infiltrating the photonic structure with media of varying refractive indices ranging from 1.00 (air) to 1.37 (ethyl acetate). The tunability arises from reducing the mismatch between the stopband and the afterglow band, as the weighted refractive index shifts between 1.15 and 1.40. Additionally, the inverse opal photonic structure induces angle‐dependent structural colors in the Janus polymeric phosphors, modulated by the refractive index of the infiltrating media. This integration of dynamically tunable afterglow with angle‐dependent structural coloration unlocks new potential for advanced optoelectronic applications.
Tandem Photocatalyst‐Free Visible Light Aryl Azidation‐Intramolecular C−H Amination: One‐Pot Access to Carbazoles and Indoles from Areneazo‐2‐(2‐nitro)propanes
Authors: Patil Dilip V. , Patel Rahulkumar , Takizawa Shinobu , Kim Hun Y. , Oh Kyungsoo 
Published: December 2024

AbstractThe visible light‐induced one‐pot tandem photolysis of areneazo‐2‐(2‐nitro)propanes was achieved to give carbazole and indole derivatives. The aryl azidation followed by an intramolecular C−H amination smoothly proceeded under visible light irradiation without any photocatalyst, demonstrating the synthetic versatility of areneazo‐2‐(2‐nitro)propanes. The in situ generation of aryl azide intermediates was executed under mild visible light photolysis conditions, showcasing the synthetic versatility of areneazo‐2‐(2‐nitro)propanes, a safe alternative of diazonium salts.
A Study of the Reaction Kinetics and Solar Concentrator‐Based Reactor Design for Photocatalytic Conversion of CO2 Into Fuel
Authors: V. Ragulkrishnan , Mohanty Ananya , P.K. Aswathi , Thomas Tiju , Srinivasan M.S. , Roy Somnath C. 
Published: December 2024

AbstractSolar powered conversion of CO2 into fuel and other value‐added chemicals is considered a holy grail toward a sustainable future. Development of materials that can catalytically convert CO2 and water vapor into hydrocarbons under sunlight has been one of the most formidable challenges in the 21st century. This study have recently demonstrates that by introducing hydrophilic and hydrophobic sites on nanostructured TiO2‐reduced graphene oxide nanocomposite surfaces, yield of methane from photoreduction of CO2 can be enhanced by ≈30%. Here this study reports the study of reaction kinetics for TiO2‐rGO photocatalysts through pressure and temperature dependent measurements of the product yield. By applying the Langmuir–Hinshelwood model on the pressure dependent CO2 conversion data, the reaction rates are calculated for selective adsorption of CO2 and H2O on the photocatalyst surface. These data are correlated with charge transport studies done through current‐voltage (I–V) characteristics of the photocatalyst measured in presence of CO2 and H2O. On the other hand, a unique solar‐concentrator based reactor design is developed. Such a prototype allows about a 20 °C rise in the temperature that enhances the rates of photocatalytic reactions. A comparative study of the CO2 photoreduction experiments in absence and in presence of the concentrated sunlight are presented.
S‐PLM: Structure‐Aware Protein Language Model via Contrastive Learning Between Sequence and Structure
Authors: Wang Duolin , Pourmirzaei Mahdi , Abbas Usman L. , Zeng Shuai , Manshour Negin , Esmaili Farzaneh , Poudel Biplab , Jiang Yuexu , Shao Qing , Chen Jin , Xu Dong 
Published: December 2024

AbstractProteins play an essential role in various biological and engineering processes. Large protein language models (PLMs) present excellent potential to reshape protein research by accelerating the determination of protein functions and the design of proteins with the desired functions. The prediction and design capacity of PLMs relies on the representation gained from the protein sequences. However, the lack of crucial 3D structure information in most PLMs restricts the prediction capacity of PLMs in various applications, especially those heavily dependent on 3D structures. To address this issue, S‐PLM is introduced as a 3D structure‐aware PLM that utilizes multi‐view contrastive learning to align the sequence and 3D structure of a protein in a coordinated latent space. S‐PLM applies Swin‐Transformer on AlphaFold‐predicted protein structures to embed the structural information and fuses it into sequence‐based embedding from ESM2. Additionally, a library of lightweight tuning tools is provided to adapt S‐PLM for diverse downstream protein prediction tasks. The results demonstrate S‐PLM's superior performance over sequence‐only PLMs on all protein clustering and classification tasks, achieving competitiveness comparable to state‐of‐the‐art methods requiring both sequence and structure inputs. S‐PLM and its lightweight tuning tools are available at https://github.com/duolinwang/S-PLM/.
Multistage Regulation Strategy via Fluorine‐Rich Small Molecules for Realizing High‐Performance Perovskite Solar Cells
Authors: Chang Xiong , Li Kunpeng , Han Yong , Wang Guohua , Li Zhishan , Li Dongfang , Li Fashe , Zhu Xing , Wang Hua , Chen Jiangzhao , Zhu Tao 
Published: December 2024

AbstractPerovskite solar cells (PSCs) are an ideal candidate for next‐generation photovoltaic applications but face many challenges for their wider application, including uncontrolled fast crystallization, trap‐assisted nonradiative recombination, and inefficient charge transport. Herein, a multistage regulation (MSR) strategy for addressing these challenges is proposed via the introduction of fluorine‐rich small molecules with multiple active points (i.e., 1‐[Bis(trifluoromethanesulfonyl)methyl]‐ 2,3,4,5,6‐pentafluorobenzene (TFSP)) into the precursor solution of the perovskite film. The addition of TFSP effectively delays and regulates the crystallization and growth process of the perovskite film for larger grains and fewer defects, and it effectively improves the coverage of self‐assembled molecules for efficient charge transport. The multiple active points of TFSP induce a strong binding affinity with uncoordinated defects in the perovskite film. Moreover, the high fluorine content of TFSP induces strong electronegativity to establish a high binding strength between the perovskite film and electron transport layer. Finally, PSCs prepared by the MSR strategy demonstrated an optimal power conversion efficiency (PCE) of 25.46% and maintained 91.16% of the initial PCE under nonpackaged air conditions and at a relative humidity of 45% after 3000 h.
Palmitic Acid Accelerates Endothelial Cell Injury and Cardiovascular Dysfunction via Palmitoylation of PKM2
Authors: He Yu , Li Senlin , Jiang Lujing , Wu Kejue , Chen Shanshan , Su Linjie , Liu Cui , Liu Peiqing , Luo Wenwei , Zhong Shilong , Li Zhuoming 
Published: December 2024

AbstractHigh serum level of palmitic acid(PA) is implicated in pathogenesis of cardiovascular diseases. PA serves as the substrate for protein palmitoylation. However, it is still unknown whether palmitoylation is involved in PA‐induced cardiovascular dysfunction. Here, in clinical cohort studies of 1040 patients with coronary heart disease, high level of PA is associated with risk of major adverse cardiovascular events (MACE) and death. In ApoE−/−mice, 10 mg/kg−1 PA treatment induces blood pressure elevation, cardiac contractile dysfunction, endothelial dysfunction and atherosclerotic plaqueformation. In endothelial cells, inhibition of palmitoylation bypalmitoyl‐transferase inhibitor 2‐BP eliminates PA‐induced endothelial injury, whereas promotion of palmitoylation by depalmitoylase inhibitor ML349 exacerbates the harmful effect of PA. Palmitoyl‐proteomics analysis identifies pyruvate kinase isozyme type M2 (PKM2) as the palmitoylated protein responsible for PA‐induced endothelial injury, and Cys31 as the predominant palmitoylated site. PKM2‐C31S mutants (cysteine replaced by serine) prevents PA‐induced endothelial injury. Endothelial‐specific AAV‐C31S PKM2endo ameliorates cardiovascular dysfunction caused by PA in ApoE−/− mice. Mechanistically, PKM2‐C31 palmitoylation impairs PKM2 tetramerization to inhibit its pyruvate kinase activity and endothelial glycolysis. Finally, zDHHC13 is identified as the palmitoyl acyltransferase of PKM2. In conclusion, these findings suggest that PKM2‐C31 palmitoylation contributes to PA‐induced endothelial injury and cardiovascular dysfunction.
Flame Retardant Polyurethane‐Based Semi‐Interpenetrating Network Electrolyte with Continuous Ion Channel for High‐Voltage Lithium‐Metal Batteries
Authors: Zhang Zexian , Zhao Tingting , Huang Sheng , Wang Shuanjin , Han Dongmei , Guo Hui , Xiao Min , Meng Yuezhong 
Published: December 2024

AbstractHigh‐nickel cathode materials is known to have high specific capacity but poor stability and safety due to nickel diffusion. While Al‐doped high‐nickel cathode (NCMA) particles exhibit enhanced stability, their durability under high‐charge cut‐off voltages remains uncertain. Herein, a polymer electrolyte with semi‐interpenetrating network (SIPN) structure is designed for high‐voltage lithium‐metal battery application. The matrix of the polymer electrolyte is composed of a CO2‐derived thermoplastic polyurethane (TPU) and an in situ polymerized polyacrylonitrile (PAN), where the PAN provides strength and the TPU offers excellent high‐voltage resistance and abundant ion‐complexing sites. With the assistance of additives, the PAN‐TPU‐based electrolyte performs excellent flame retardancy, wide electrochemical stability window (>5.1 V) and can lead to stable organic–inorganic hybrid cathode‐electrolyte interface during cycling. The Li‖PAN‐TPU/TEP‐E‖Li cell lasts over 3400 h at 0.2 mA cm−2. With the construction of well‐connected ion pathway by incorporating of the TPU as binder for cathode and in situ forming the PAN‐TPU‐based electrolyte. The NCMA@TPU‖PAN‐TPU/triethyl phosphate‐based electrolyte (TEP‐E)‖Li cell shows outstanding performances, which maintains a capacity of 186 mAh g−1 at a 4.3 V charging cut‐off voltage, retaining 82% capacity after 300 cycles at 0.5 C. Even at a 4.5 V cut‐off voltage, it retains 78% capacity after 200 cycles at 0.5 C.
Intracranial ependymoma: A retrospective analysis of clinical features, treatment modalities, and long‐term outcome
Authors: Badary Amr , Kurdi Sarah Zuhair , Almealawy Yasser F. , Alrubaye Sura N. , Sanker Vivek , Chaurasia Bipin , Atallah Oday 
Published: December 2024

AbstractObjectiveEpendymomas, rare neuroglial tumors originating from ependymal cells, can occur in the CNS and typically affect the brain's ventricles or spinal cord. Prognosis is influenced by tumor grade, location, resection extent, and preoperative Karnofsky Performance Status Scale (KPSS) scores. This study evaluates clinical features, treatment outcomes, and factors affecting prognosis in patients with intracranial ependymomas.MethodsA retrospective review of 23 patients with intracranial ependymomas, treated from 2018 to 2023, was conducted. Data included demographics, clinical presentations, KPSS scores, imaging findings, and treatment details. Outcomes assessed were postoperative complications, recurrence rates, and functional status. Statistical analysis used SPSS version 26, with significance set at p < 0.05.ResultsThe cohort was predominantly male (87.0%), with a mean age of 27 years. Tumors were mostly in the fourth ventricle (82.6%), with an average diameter of 68.9 mm. Complete resection was achieved in 87.0% of cases. Postoperative radiotherapy was given to 91.0% of grade 2 and all grade 3 tumors. Recurrence occurred in 17.4% of grade 2 ependymomas, but none of grade 3. The seven‐month mortality rate was 4.3%. Higher preoperative KPSS scores correlated with better outcomes.ConclusionComplete tumor resection and postoperative radiotherapy are crucial for improved outcomes in ependymomas. Higher preoperative KPSS scores and tumor location significantly impact prognosis. Tumors in the lateral ventricles are associated with higher recurrence risks. These findings highlight the need for aggressive surgical management and personalized adjuvant therapy to enhance patient outcomes.
Aromatizaiton of 2‐Carbonyl‐1‐Tetralones and Analogues via Aerobic Oxidation under Basic Conditions
Authors: Wang Tianqi , Su Fangyao , Yin Shuting , Zhang Boxiao , Liu Yongguo , Sun Baoguo , Tian Hongyu , Liang Sen 
Published: December 2024

Abstract1‐Tetralone‐2‐carboxylates have been shown to undergo aromatization in the presence of sodium hydride under blue light irradiation in DMSO, yielding 1‐hydroxy‐2‐naphthoates with yields ranging from 30 % to 92 %. This method is also effective for the aromatization of 2‐acyl‐1‐tetralones, 1‐tetralone‐2‐carboxamides, and related structures containing heteroarenes. Thus, it serves as a valuable synthetic approach for the preparation of 2‐carbonyl substituted 1‐naphthols. The proposed mechanism involves aerobic oxidation under light irradiation, leading to the formation of α,β‐unsaturated hydroperoxide intermediates, which subsequently produce the aromatized products.
A Small‐Molecule Approach Enables RNA Aptamers to Function as Sensors for Reactive Inorganic Targets
Authors: Aggarwal Tushar , Wang Liming , Gutierrez Bryan , Guven Hakan , Erguven Huseyin , Cho Sarah , Izgu Enver Cagri 
Published: December 2024

AbstractFluorescent light‐up aptamer (FLAP) systems are promising (bio)sensing platforms that are genetically encodable. However, FLAP‐mediated detection of each distinct target necessitates either in vitro selection or engineering of nucleic acid sequences. Furthermore, an aptamer that binds an inorganic target or a chemical species with a short lifetime is challenging to realize. Here, we describe a small‐molecule approach that makes it possible for a single FLAP system to detect chemically unique, non‐fluorogenic, and reactive inorganics. We developed functionalized pre‐ligands of RNA aptamers that bind benzylidene imidazolinones (Baby Spinach, Broccolli, Squash). Reactive inorganics, hydrogen sulfide (H2S/HS−) and hydrogen peroxide (H2O2), can specifically convert these pre‐ligands into native ligands that fluoresce with FLAPs. Adaptation of this platform to live cells opened an opportunity for constructing whole‐cell sensors: Escherichia coli transformed with a Baby Spinach‐encoding plasmid and incubated with pre‐ligands generated fluorescence in response to exogenous H2S/HS− or H2O2. Leveraging the functional group reactivity of small molecules eliminates the requirement of in vitro selection of a new aptamer sequence or oligonucleotide scaffold engineering for distinct molecular targets. Our method allows for detecting inorganic, short‐lived species, thereby advancing FLAP systems beyond their current capabilities.
Photochromic Dysprosium Single‐Molecule Magnet Featuring Reversible Redox Transformation of Polyoxomolybdate Moiety
Authors: Kong Hui , Wang Jing‐Yu , Liu Jia‐Chuan , Zhang Lu , Liao Pei‐Yu , Qi Yu‐Quan , Liu Zheng , Wu Si‐Guo , Tong Ming‐Liang 
Published: December 2024

AbstractA photochromic dysprosium‐based single‐molecule magnet [Dy(CyPh2PO)2(H2O)5](PMo12O40) ⋅ 3CyPh2PO⋅H2O (1‐Dy) is synthesized via cocrystal engineering of a polyoxomolybdate (POMo) anion and an Ising‐type cation with pseudo pentagonal bipyramidal geometry. Upon ultraviolet irradiation, MoVI‐to‐MoV single‐electron photoreduction occurs in the POMo moiety, resulting in significant changes of optical and magnetic properties. The emergence of intervalence charge‐transfer transitions in heteropoly blue state 1‐Dy* facilitates photothermal conversion in near‐infrared region. Meanwhile, the coercive field of hysteresis loop is altered from 0.72 T (1‐Dy) to 0.04 T (1‐Dy*) at 2 K, which might be contributed to the magnetic interaction between DyIII and MoV. After dark treatment, 1‐Dy* can convert to the initial state with the recovery of magnetic memory effect. These results presented herein provide a blueprint for developing versatile opto‐magnetic materials via the coupling of photochemical regulation and magnetic interaction.