bluuebunny/crossref_metadata_2025_split huggingface dataset:
Control of Hybrid Exciton Lifetime in MoSe2/WS2 Moiré Heterostructures
Authors: Xu Haowen , Wang Jiangcai , Liu Huan , Chen Shihong , Sun Zejun , Wang Chong , Han Rui , Wang Yong , Wang Yutang , Wang Zihao , Huang Shuchun , Ma Lingwei , Liu Dameng 
Published: July 2024

AbstractHybrid excitons, characterized by their strong oscillation strength and long lifetimes, hold great potential as information carriers in semiconductors. They offer promising applications in exciton‐based devices and circuits. MoSe2/WS2 heterostructures represent an ideal platform for studying hybrid excitons, but how to regulate the exciton lifetime has not yet been explored. In this study, layer hybridization is modulated by applying electric fields parallel or antiparallel to the dipole moment, enabling us to regulate the exciton lifetime from 1.36 to 4.60 ns. Furthermore, the time‐resolved photoluminescence decay traces are measured at different excitation power. A hybrid exciton annihilation rate of 8.9 × 10−4 cm2 s−1 is obtained by fitting. This work reveals the effects of electric fields and excitation power on the lifetime of hybrid excitons in MoSe2/WS2 1.5° moiré heterostructures, which play important roles in high photoluminescence quantum yield optoelectronic devices based on transition‐metal dichalcogenides heterostructures.
A Novel Thiazole‐Core Spacer Based Dion–Jacobson Perovskite with Type II Quantum Well Structure for Efficient Photovoltaics
Authors: Zhang Lin , Zhang Yiqing , Wu Haotian , Wang Fei , Yan Kangrong , Zhou Ying , Xu Xiaoyi , Fu Weifei , Hu Hanlin , Wu Gang , Du Miao , Chen Hongzheng 
Published: July 2024

Abstract2D Dion–Jacobson (DJ) perovskites show structural stability and tunability and are regarded as promising photovoltaic materials. The spacer cations play an important impact on exciton separation and charge transport of 2D perovskites. Herein, a novel spacer with thiazole as core, 2‐thiazolemethanammonium (AMT), owning characters of small molecular size, delocalized π‐electrons, and strong electron‐withdrawing ability, is introduced to construct 2D DJ perovskites. Owing to the strong orbital coupling between AMT spacer and inorganic layers, the AMT‐based perovskite exhibits type II quantum well structure, which is favorable for exciton separation. On contrary, such interaction does not appear in the DJ perovskite when aliphatic propyldiammonium (PDA), with a similar length, is used as spacer. The AMT spacer can also induce better crystallinity, resulting in reduced defect density and improved charge transport ability. The optimized device based on (AMT)MA3Pb4I13 exhibits a power conversion efficiency (PCE) of 19.69%, which is a record for 2D DJ perovskite solar cells (PSCs) (n ≤ 4). This work provides deep understanding of the impact of aromatic spacer on the electronic structure of 2D DJ perovskites and the corresponding photovoltaic performance and provides a new opportunity toward highly efficient and stable PSCs.
Interface Charge Regulation Enhancing Output and Durability of Triboelectric Nanogenerator for Efficient Wastewater Treatment
Authors: Liu Dongyang , Zhou Linglin , Gao Yikui , Liu Di , Qiao Wenyan , Shi Jianxun , Liu Xiaoru , Zhao Zhihao , Wang Zhong Lin , Wang Jie 
Published: July 2024

AbstractHarvesting mechanical energy through triboelectric nanogenerators (TENGs) for effectively purifying water, self‐powered wastewater treatment system presents a promising solution to address both energy and environmental crises. However, issues such as side‐discharge and wear, resulting from interfacial charge transfer, seriously hinder the output and durability of TENGs, and then reduce the efficiency of self‐powered wastewater treatment. Here, an interface charge regulation technique is introduced that simultaneously boosts both output performance and durability of TENG, enabling a greater efficiency in self‐powered wastewater treatment. The interface charge regulation method, suppressing side‐discharge around electrodes with an innovative insulator design as well as boosting charge density through secondary collection, fully utilizes surface charges for power output and results in minimum wear by reducing the interface electrostatic force. Surface charge density of 0.8 mC m−2 between the Ethyl tetrafluoro ethylene and copper (µ = 0.35), with a threefold enhancement under ambient conditions, and durability of 500 000 cycles (a 12.5‐fold enhancement) are achieved. Furthermore, the removal efficiency for proposed self‐powered sewage filter system is improved onefold, indicating the potential for sustainable and practical applications.
Longitudinal plasma phosphorylated‐tau217 and other related biomarkers in a non‐demented Alzheimer's risk‐enhanced sample
Authors: Du Lianlian , Langhough Rebecca E. , Wilson Rachael E. , Reyes Ramiro Eduardo Rea , Hermann Bruce P. , Jonaitis Erin M. , Betthauser Tobey J. , Chin Nathaniel A. , Christian Bradley , Chaby Lauren , Jeromin Andreas , Molfetta Guglielmo Di , Brum Wagner S. , Arslan Burak , Ashton Nicholas , Blennow Kaj , Zetterberg Henrik , Johnson Sterling C. 
Published: July 2024

AbstractINTRODUCTIONUnderstanding longitudinal change in key plasma biomarkers will aid in detecting presymptomatic Alzheimer's disease (AD).METHODSSerial plasma samples from 424 Wisconsin Registry for Alzheimer's Prevention participants were analyzed for phosphorylated‐tau217 (p‐tau217; ALZpath) and other AD biomarkers, to study longitudinal trajectories in relation to disease, health factors, and cognitive decline. Of the participants, 18.6% with known amyloid status were amyloid positive (A+); 97.2% were cognitively unimpaired (CU).RESULTSIn the CU, amyloid‐negative (A–) subset, plasma p‐tau217 levels increased modestly with age but were unaffected by body mass index and kidney function. In the whole sample, average p‐tau217 change rates were higher in those who were A+ (e.g., simple slopes(se) for A+ and A– at age 60 were 0.232(0.028) and 0.038(0.013))). High baseline p‐tau217 levels predicted faster preclinical cognitive decline.DISCUSSIONp‐tau217 stands out among markers for its strong association with disease and cognitive decline, indicating its potential for early AD detection and monitoring progression.Highlights
Phosphorylated‐tau217 (p‐tau217) trajectories were significantly different in people who were known to be amyloid positive.
Subtle age‐related trajectories were seen for all the plasma markers in amyloid‐negative cognitively unimpaired.
Kidney function and body mass index were not associated with plasma p‐tau217 trajectories.
Higher plasma p‐tau217 was associated with faster preclinical cognitive decline.
CSF proteomic profiles of neurodegeneration biomarkers in Alzheimer's disease
Authors: Delvenne Aurore , Gobom Johan , Schindler Suzanne E. , Kate Mara ten , Reus Lianne M. , Dobricic Valerija , Tijms Betty M. , Benzinger Tammie L. S. , Cruchaga Carlos , Teunissen Charlotte E. , Ramakers Inez , Martinez‐Lage Pablo , Tainta Mikel , Vandenberghe Rik , Schaeverbeke Jolien , Engelborghs Sebastiaan , Roeck Ellen De , Popp Julius , Peyratout Gwendoline , Tsolaki Magda , Freund‐Levi Yvonne , Lovestone Simon , Streffer Johannes , Barkhof Frederik , Bertram Lars , Blennow Kaj , Zetterberg Henrik , Visser Pieter Jelle , Vos Stephanie J. B. 
Published: July 2024

AbstractINTRODUCTIONWe aimed to unravel the underlying pathophysiology of the neurodegeneration (N) markers neurogranin (Ng), neurofilament light (NfL), and hippocampal volume (HCV), in Alzheimer's disease (AD) using cerebrospinal fluid (CSF) proteomics.METHODSIndividuals without dementia were classified as A+ (CSF amyloid beta [Aβ]42), T+ (CSF phosphorylated tau181), and N+ or N− based on Ng, NfL, or HCV separately. CSF proteomics were generated and compared between groups using analysis of covariance.RESULTSOnly a few individuals were A+T+Ng−. A+T+Ng+ and A+T+NfL+ showed different proteomic profiles compared to A+T+Ng− and A+T+NfL−, respectively. Both Ng+ and NfL+ were associated with neuroplasticity, though in opposite directions. Compared to A+T+HCV−, A+T+HCV+ showed few proteomic changes, associated with oxidative stress.DISCUSSIONDifferent N markers are associated with distinct neurodegenerative processes and should not be equated. N markers may differentially complement disease staging beyond amyloid and tau. Our findings suggest that Ng may not be an optimal N marker, given its low incongruency with tau pathophysiology.Highlights
In Alzheimer's disease, neurogranin (Ng)+, neurofilament light (NfL)+, and hippocampal volume (HCV)+ showed differential protein expression in cerebrospinal fluid.
Ng+ and NfL+ were associated with neuroplasticity, although in opposite directions.
HCV+ showed few proteomic changes, related to oxidative stress.
Neurodegeneration (N) markers may differentially refine disease staging beyond amyloid and tau.
Ng might not be an optimal N marker, as it relates more closely to tau.
Variable Spatial Dynamics of Optical Vortices Produced by a Double Fork‐Shaped Grating
Authors: Darmaev Erdeny C. , Ikonnikov Denis A. , Myslivets Sergey A. , Arkhipkin Vasily G. , Vyunishev Andrey M. 
Published: July 2024

AbstractLight diffraction is studied numerically and experimentally on a double fork‐shaped grating representing a periodic grating containing two spaced dislocations. The spatial dynamics of the phase singularities (optical vortices) has been investigated as a function of dislocation parameters. Produced optical vortices affect each other while propagating in a free space. For dislocations of the same topological charge, the propagation trajectories and their transverse displacement coordinates depend on the dislocation spacing, and the larger the dislocation spacing, the smaller the relative displacement of the optical vortices and the smaller their trajectory curvatures. For oppositely charged dislocations, three types of spatial behavior of optical vortices are found. The numerical results agree well with the experimental data.
Cone Angles Quantify and Predict the Affinity and Reactivity of Anion Complexes between Trifluoroborates and Rigid Macrocycles
Authors: Zhang Zhao , Sheetz Edward G. , Pink Maren , Yamamoto Nobuyuki , Flood Amar H. 
Published: July 2024

AbstractSteric manipulation is a known concept in molecular recognition but there is currently no linear free energy relationship correlating sterics to the stability of receptor‐anion complexes nor to the reactivity of the bound anion. By analogy to Tolman cone angles in cation coordination chemistry, we explore how to define and correlate cone angles of organo‐trifluoroborates (R−BF3−) to the affinities observed for cyanostar‐anion binding. We extend the analogy to a rare investigation of the anion's reactivity and how it changes upon binding. The substituent on the anion is used to define the cone angle, θ. A series of 10 anions were studied including versions with ethynyl, ethylene, and ethyl substituents to tune steric bulk across the sp, sp2 and sp3 hybridized α‐carbons bearing 0, 1 and 2 hydrogen atoms. A linear relationship between affinity and cone angle is observed for anions bearing substituents larger than the −BF3− headgroup. This correlation predicted affinities of two new anions to within ±5 %. We explored how complexation affects the reactivity of fluoride exchange. The yield of fluoride transfer from R−BF3− to Lewis acid triphenylborane is correlated with cone angle. We predict that other rigid macrocycles, like commercially available bambusuril, could follow these trends.
Regional Functionalization Molecular Design Strategy: A Key to Enhancing the Efficiency of Multi‐Resonance OLEDs
Authors: Wu Lin , Mu Xilin , Liu Denghui , Li Wei , Li Deli , Zhang Jiashen , Liu Chunyu , Feng Tingting , Wu Yujie , Li Jiuyan , Su Shi‐Jian , Ge Ziyi 
Published: July 2024

AbstractHerein, we propose a regional functionalization molecular design strategy that enables independent control of distinct pivotal parameters through different molecule segments. Three novel multiple resonances thermally activated delayed fluorescence (MR‐TADF) emitters A‐BN, DA‐BN, and A‐DBN, have been successfully synthesized by integrating highly rigid and three‐dimensional adamantane‐containing spirofluorene units into the MR framework. These molecules form two distinctive functional parts: part 1 comprises a boron‐nitrogen (BN)‐MR framework with adjacent benzene and fluorene units forming a central luminescent core characterized by an exceptionally rigid planar geometry, allowing for narrow FWHM values; part 2 includes peripheral mesitylene, benzene, and adamantyl groups, creating a unique three‐dimensional “umbrella‐like” conformation to mitigate intermolecular interactions and suppress exciton annihilation. The resulting A‐BN, DA‐BN, and A‐DBN exhibit remarkably narrow FWHM values ranging from 18 to 14 nm and near‐unity photoluminescence quantum yields. Particularly, OLEDs based on DA‐BN and A‐DBN demonstrate outstanding efficiencies of 35.0 % and 34.3 %, with FWHM values as low as 22 nm and 25 nm, respectively, effectively accomplishing the integration of high color purity and high device performance.
A novel binuclear Zn2+ and Cd2+ complexes of carbothiohydrazide chelating agent for the corrosion protection of carbon steel alloy in 15% HCl solution
Authors: El‐Sawaf Ayman K. , Madkour Metwally , Nassar Amal A. , Shalabi Kamal , Nazeer Ahmed Abdel , Shaaban Saad , El‐Samanody El‐Sayed A. 
Published: July 2024

Equimolar reactions of Zn2+ and Cd2+acetates with the carbothiohydrazide, [2‐HO‐C6H4‐C(H) = N‐N(H)‐C(=S)‐N(C2H4)2O] chelating agent (H2L) have produced the binuclear [M(L)]2 metal chelates. The isolated compounds have been evaluated by elemental analyses, XRD, molar conductivities, 1H and 13C‐NMR, FTIR, FAB‐MS, UV–Vis, and thermal analyses. The crystal structure of the chelating agent has been resolved and indicates the presence of the chelating agent exclusively in its E conformer regarding the C(H) = N bond. Elemental analyses and molar conductance data indicated that the investigated metal chelates are nonelectrolytes and were formed with 2 M:2 L stoichiometry. FT‐IR along 1H‐NMR spectral data gave evidence for a di‐anionic chelating agent that bonded with central metal ions via azomethine N, deprotonated phenolic O, and thiolate S atoms. The anti‐corrosion performance of the chelating agent and its metal chelates have been evaluated for protecting carbon steel (CS) in 15% HCl aqueous solution using electrochemical examination (EIS and PDP), surface examination (SEM and XPS) and theoretical approach (DFT calculations and MC simulation). The results revealed that [Zn(L)]2 complexes remarkably performed with an inhibition efficiency of about 94.7%, which was better than those for [Cd(L)]2 complex (93.0%) and H2L (88.2%), respectively. The EIS results revealed the gradual rise of charge transfer resistance (Rct) with concentration, while the PDP proved the mixed‐type inhibition performance with cathodic advantage consistent with the Langmuir adsorption model. It was verified that the Zn (II) complex could adsorb on the metallic surface, forming a protective layer responsible for mitigating the corrosion reaction and ions diffusion. This study provided novel inhibitors with structures designed and developed for inhibiting the corrosion process with marked performance. The results derived from various methodologies contribute to a substantiated interpretation of the mechanism of inhibition.
Flame‐retardant rigid polyurethane foam composites with the incorporation of steel slag and DMMP: A novel strategy for utilizing metallurgical solid waste
Authors: Shen Haifeng , Jiang Shudong , Gao Shun , Xu Zichen , Chen Qiuyu , Hou Yanbei , Zhang Shihua , Liu Jiayang , Liu Xiuyu , Tang Gang 
Published: July 2024

AbstractSteel slag (SS) as solid waste, has low resource utilization efficiency and seriously endangers environmental safety and human health. To explore the potential utilization value of SS and address the flammability challenge of rigid polyurethane foam (RPUF), with a novel flame‐retardant system composed by SS and dimethyl methyl phosphonate (DMMP) was explored. The DMMP/SS system effectively improved the high temperature stability of the RPUF composites. When the mass ratio of SS and DMMP was 1:1, the limiting oxygen index of RPUF/DMMP/SS reached 23.1 vol% and UL‐94 vertical combustion tests passed V‐2 level. Upon incorporation of 15 wt% DMMP, the initial decomposition temperature (T−5 wt%) reduced to 165.3°C, a decrease of 32.2%, while the Tmax2 and residue yield at 700°C exhibited negligible alteration. The peak heat release rate of RPUF/DMMP/SS composite (118.20 W g−1) was 11.02% lower than that of pure RPUF, indicating the significant enhancement of fire safety of the composites. Results confirmed that a synergistic flame‐retardant mechanism was existed between DMMP and SS in enhancing the fire safety of RPUF composite. Introducing a 20 wt% SS content reduces the ID/IG ratio to 1.85, thereby markedly enhancing its heat resistance. This work provides a new application field of SS and paves a novel approach to enhance fire safety of polymers.
Construction of polyimide films with highly linear structures using a structural reorganization approach
Authors: Li Tao , Ke Zhao , Xu Ke , Li Dongpeng , Qian Guangtao , Deng Zhiqing , Li Dandan , Chen Chunhai 
Published: July 2024

AbstractTo improve the thermodynamic and mechanical properties of asymmetric polyimide (PI), a method to enhance the linearity of PI by using a structural reorganization approach was designed. First, two novel diamines containing benzimidazole and benzoxazole groups, namely PADBZ and PDBOA, were constructed and synthesized. Thereafter, two new kinds of PI films (PADBZ‐PMDA and PDBOA‐PMDA) were prepared and polymerized with 1,2,4,5‐benzenetetracarboxylic anhydride (PMDA). Based on structural reorganization, PADBZ‐PMDA and PDBOA‐PMDA had repeating units of the same chemical composition and different linearity with PABZ‐BPDA and BOA‐BPDA, respectively. Comparing PADBZ‐PMDA and PABZ‐BPDA, due to the transfer in the position of benzene, PADBZ‐PMDA with high linearity showed the improved heat resistance (Tg up to 448°C), dimensional stability (CTE down to 2.3 ppm/K) and mechanical properties. PDBOA‐PMDA and BOA‐BPDA had the same situation. This study provided a unique solution to enhance the performances of PI by increasing the linearity using a structural reorganization approach.
Effects of branched chains on plasticization properties of trioctyl citrate: Experiments and molecular dynamic simulations
Authors: Gao Li , Yuan Rui , Tu Chang , Tan Rui , Xu Shiai 
Published: July 2024

AbstractTo replace traditional phthalate plasticizers, our previous research revealed that trioctyl citrate (CA) with an alkyl chain containing 8 carbon atoms (C8) exhibited excellent plasticizing properties. In order to delve deeper into the plasticization effects of CA isomers, CA with different side‐chain structures (C8‐Line, C8‐Branch, and C8‐Star) were synthesized by esterification reactions, and various CA/polyvinyl chloride (PVC) composite films with different CA contents were prepared using a solution casting method. The plasticization mechanisms of these isomers were systematically explored through experimental and molecular dynamics simulations. The results indicate that C8‐Branch demonstrates the optimal plasticizing effect, followed by C8‐Line, while C8‐Star exhibits poorer performance. The C8‐Branch/PVC composite system displays the best plasticizing effect, attributed to the strong interaction forces between the Cl atoms of PVC and the COO groups of CA. On the contrary, the formation of stable dipole pairs between C8‐Star and PVC is impeded by steric hindrance effects. The interaction between the two is predominantly dependent on the intertwining of the alkyl chains in C8‐Star with the PVC chains, also elucidating the observed higher migration rate in the C8‐Star/PVC system. This study provides technical guidance and theoretical basis for the optimized design of high‐performance CA/PVC composites.
Preparing novel polylactic acid based bone scaffold composites with enhanced calcium phosphate deposition behavior and bioactivity via simple one‐step melt extrusion
Authors: Fang Yong‐Gan , Lin Jian‐Yun , Zhou Yong‐Jun , Li Ze‐Hao , Liang Yong‐Tong , Zeng Yu , Wang Zhao‐Yang 
Published: July 2024

AbstractPolylactic acid (PLA) is regarded as the most representative biomedical polymer materials. However, some problems, that is, its big brittleness, high hydrophobicity, and poor bioactivity, limit its application. Here, using poly(butylene adipate‐co‐terephthalate) (PBAT) as toughening agent, and incorporating ethylene diamine tetra(methylene phosphonic acid) (EDTMPA) for the first time with nano‐hydroxyapatite (nHA) as reinforcement filler, series of PLA/PBAT/nHA/EDTMPA as novel bone scaffold composites are successfully prepared via simple one‐step melt extrusion. The chemical composition, microstructures, thermodynamic properties, mechanical properties, hydrophilicity, and bioactivities of PLA/PBAT/nHA/EDTMPA were characterized. The test results show that these developed PLA‐based composites from safe biosources are greatly potential raw materials for bone scaffold because the existence of EDTMPA can chelate with calcium ions to promote calcium phosphate (CaP) deposition on the surface of bone scaffold composites. Especially, when the content of EDTMPA is 6 wt%, the comprehensive performance of the bone scaffold composite is the best. The research results indicate that these developed PLA‐based materials are greatly potential raw materials for bone scaffold composites.
Polyethersulfone mixed matrix membrane with abundant sponge pores for high‐separation performance with high flux retention and cycling stability
Authors: Zhang Mingyu , Hadi Mohammed Kamal , Guo Dongli , Yao Tao , Ran Fen 
Published: July 2024

AbstractIn recent years, a series of high‐performance ultrafiltration membranes have been developed, but maintaining high flux and high pollutant retention rate without sacrificing service life remains a long‐standing challenge. In this study, a porous polyethersulfone ultrafiltration membrane enriched with ZIF‐8 and TiO2 additives is prepared based on a non‐solvent induced phase separation method. During the phase transition process, the addition of organic nanocrystals ZIF‐8 and inorganic nanocrystals TiO2 delayed the phase transition rate, resulting in the transformation of the polyethersulfone modified membrane from a finger‐like pore structure to a sponge‐like pore structure. Compared to other structures, the sponge‐like modified membrane has a uniform and narrow pore size distribution, fewer surface defects, stable retention performance, and can simultaneously improve membrane permeability and mechanical strength. Therefore, the polyethersulfone modified membrane with a sponge‐like pore structure prepared in this research exhibits high flux for small molecules and good retention rate for large molecules. Long‐term cycling stability tests of the modified membrane shows high retention rate (over 98%), high flux, long service life, and good cycling stability for solute molecules. The study indicates that the prepared polyethersulfone modified membrane has high potential for application in relevant environmental separation processes.