bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of Nanoparticle Size and Loading on Printability of Composite Inks for Direct Ink Writing
Authors: Li Yun , Flynn Aidan , Masternick Christopher , Kolanovic Brandon , Li Bin , Li Bo 
Published: December 2024

AbstractDirect ink writing (DIW) using polymer‐particle composite inks is a new research area enabling a wide range of new functionalities. Despite extensive studies, there remains a need for a deeper understanding of how particle size and loading specifically influence printability, especially in the nano range. This work aims to systematically evaluate the effects of SiO2 nanoparticle size (26–847 nm) and loading on printability within a polydimethylsiloxane (PDMS) matrix. For the single‐layer printing process, which is influenced by the substrate properties, a 3D printing line analysis (3D‐PLA) is developed to monitor the top and side views of printed lines. It is found that line width varies with ink composition and substrate, while the line height decreases with solvent evaporation, indicating a strong confinement effect from the substrate. For multilayer structures, dual‐layer printing analysis (DLPA) is utilized to evaluate the printability. It is shown that DLPA is independent of the substrate and can be used to compare the printabilities from different inks. Both 3D‐PLA and DLPA can be correlated to the rheological behavior of the ink through ink rheology analysis (IRA). Finally, this research defined the design space for DIW by benchmarking the minimum and maximum particle loadings for printable composite inks.
Water Molecules Adsorption, Stability, and Optoelectronic Characteristics of Pb‐Free Hybrid Double Perovskites Cs2AgInX6 (X = Br, Cl) for Solar Cells Application: A DFT Analysis
Authors: Babaei Maryam , Ahmadi Vahid , Pakzad Moghadam Seyed Mojtaba 
Published: December 2024

AbstractThe development of halide double perovskites has received a lot of interest from many researchers due to solving the problem of poor stability and toxicity of lead‐based perovskites, which hinders the commercialization of perovskite solar cells. Therefore, in this work, the adsorption of water molecules, stability, optical, and electronic properties of double perovskites Cs2AgInX6 (X = Br, Cl) are investigated using Density Functional Theory (DFT) calculations. Theoretical analysis shows that these double perovskites are thermodynamically stable. The diffusion coefficient of water in layers of Cs2AgInBr6 and Cs2AgInCl6 is much lower than that of MAPbI3 according to means square displacement analysis, and also based on values of adsorption energy, the hydrophilicity of the proposed structure is lower than that of PbI2‐terminated and MAI‐terminated surfaces. These materials demonstrate better ductility and mechanical stability than their corresponding 3D perovskites. For Cs2AgInBr6 and Cs2AgInCl6, direct bandgap values are 1.49 and 3.14 eV, respectively, using hybrid Perdew‐Berke‐Ernzerhof + spin‐orbit‐coupling(PBE0+SOC) functional. Calculations of key solar cell parameters predict that Cs2AgInBr6 may achieve efficiencies competitive with MAPbI3 due to its high short‐circuit current, making it a promising stable, non‐toxic perovskite absorber material. This work provides fundamental insights that can guide further research on double perovskites for lead‐free, moisture‐resistant perovskite solar technologies.
Chromatin Topological Domains Associate With the Rapid Formation of Tandem Duplicates in Plants
Authors: Ma Ni , Li Xiaopeng , Ci Dong , Zeng Hai Yue , Zhang Congxiao , Xie Xiaodong , Zhong Caihong , Deng Xing Wang , Li Dawei , He Hang 
Published: December 2024

AbstractIn eukaryotes, chromatin is compacted within nuclei under the principle of compartmentalization. On top of that, condensin II establishes eukaryotic chromosome territories, while cohesin organizes the vertebrate genome by extruding chromatin loops and forming topologically associating domains (TADs). Thus far, the formation and roles of these chromatin structures in plants remain poorly understood. This study integrates Hi‐C data from diverse plant species, demonstrating that nuclear DNA content influences large‐scale chromosome conformation and affects the finer details of compartmental patterns. These contrasting compartmental patterns are distinguished by gene‐to‐gene loops and validated through cytological observations. Additionally, a novel chromatin domain type associated with tandem duplicate gene clusters is identified. These domains are independent of H3K27me3‐mediated chromatin compartmentalization and exhibit evolutionary conservation across species. Gene pairs within TAD‐like domains are younger and show higher levels of coexpression. These domains potentially promote the formation of tandem duplicates, a property appears unique to the Actinidia family. Overall, this study reveals functional chromatin domains in plants and provides evidence for the role of three‐dimensional chromatin architecture in gene regulation and genome evolution.
Super‐enhancer Activates Master Transcription Factor NR3C1 Expression and Promotes 5‐FU Resistance in Gastric Cancer
Authors: Yu Junxian , Chen Mengdi , Sang Qingqing , Li Fangyuan , Xu Zhuoqing , Yu Beiqin , He Changyu , Su Liping , Dai Wentao , Yan Chao , Zhu Zheng‐gang , Xia Jiazeng , Li Jianfang , Feng Haoran , Chen Yunqin , Li Yuan‐Yuan , Liu Bingya 
Published: December 2024

AbstractPoor response to 5‐fluorouracil (5‐FU) remains an obstacle in the treatment of gastric cancer (GC). Super enhancers (SEs) are crucial for determining tumor cell survival under drug pressure. SE landscapes related to 5‐FU‐resistance are mapped to GC using chromatin immunoprecipitation‐sequencing (ChIP‐Seq). SiRNA transcription factors (TFs) screen determines master TF Nuclear Receptor Subfamily 3 Group C Member 1 (NR3C1) activated by SE. High NR3C1 expression driven by SE correlated with 5‐FU resistance in patient‐derived organoids (PDOs). Phase separation formed by NR3C1 is observed using fluorescence recovery after photobleaching (FRAP). NR3C1 protein and Mediator promoted SE‐related gene transcription via phase separation. SEs and NR3C1 co‐binding patterns are explored using Cleavage Under Targets and Tagmentation (CUT&Tag) sequencing. 5‐FU‐related genes driven by NR3C1 are identified using epigenetic reader inhibitor JQ1 and NR3C1 specific inhibitor Cort108297. NR3C1 knockdown increases 5‐FU sensitivity and alters the SE landscape through enhancer reprogramming, reducing downstream 5‐FU‐related target genes. JQ1 and Cort108297 both improve 5‐FU efficacy in PDOs and patient‐derived xenografts (PDXs) by destroying SEs or inhibiting NR3C1. In conclusion, SE‐driven NR3C1 promotes 5‐FU resistance in GC. SE destruction and NR3C1 inhibition lead to enhancer reconstruction and reduce 5‐FU‐related gene transcription, providing alternative therapeutic strategies for improving 5‐FU sensitivity.
A Modular Engineered DNA Nanodevice for Precise Profiling of Telomerase RNA Location and Activity
Authors: Zhang Shi‐Yi , Lv Jian , Zhou Ze‐Rui , Geng Peter X. , Li Da‐Wei , Qian Ruo‐Can , Ju Huangxian 
Published: December 2024

AbstractIncreased telomerase activity has been considered as a conspicuous sign of human cancers. The catalytic cores of telomerase involve a reverse transcriptase and the human telomerase RNA (hTR). However, current detection of telomerase is largely limited to its activity at the tissue and single‐cell levels. To reveal the precise distribution of subcellular hTR and telomerase activity, here a modular engineered DNA nanodevice (DNA‐ND) is designed capable of imaging hTR and telomerase activity in cytoplasm and nucleus, enabling colocalization analysis. DNA‐ND is a modular DNA complex comprising hTR and telomerase activity detection modules, which respectively sense intercellular hTR and telomerase activity via target‐sensitive allosteric transition of DNA switches, actuating orthogonal activation of fluorescence signals to achieve in situ co‐imaging of hTR and telomerase activity. By integrating DNA‐ND with specific localized signals, the DNA‐ND based precise profiling of colocalization of hTR and telomerase activity in different cell lines as well as their dynamic changes during pharmacological interventions is demonstrated. Notably, the results suggest that the locations of hTR and telomerase activity are not exactly overlapped, indicating the influence of intracellular environment on the binding of hTR to telomerase.
Spatially Selective Imaging in Color: What You See is What You Want
Authors: Chan John You En , Rajesh Akshaya , Lin Xiaoyu , Wang Hao , Wang Hongtao , Zhou Xiaoyan , Qiu Cheng‐Wei , Yang Joel K.W. 
Published: December 2024

AbstractSpatially selective imaging (SSI) involves sampling a group of pixels from different positions on an encoded object to display a decoded image. Here, SSI is achieved by using off‐axis cylindrical Fresnel lens arrays to decode multiple images from an encoded print of structural color pixels. Each image is optically retrieved by separately placing different “keys” (arrays of lenses in different pseudorandom configurations) over the same encoded print, and then each image is digitally reconstructed for visualization. In addition, a detailed analysis is presented on the designed lenses and pixels, which are all fabricated by two‐photon polymerization lithography. Though Fresnel lenses are susceptible to chromatic aberrations, the results show that they can be used for imaging pixels that produce a wide range of colors at low numerical aperture (NA ≈0.2). The images have acceptable color contrast, corresponding to a simulated normalized modulation transfer function (MTF) of ≈0.6 averaged across wavelengths in the visible spectrum. This work can find applications in optical information security devices.
Direct Observation of Hybridization Between Co 3d and S 2p Electronic Orbits: Moderating Sulfur Covalency to Pre‐Activate Sulfur‐Redox in Lithium–Sulfur Batteries
Authors: Wang Di , Jia Yaozu , Jin Qi , Tian Fengying , Gao Qiong , Xu Xu , Lu Huiqing , Wu Lili , Ma Xinzhi , Zhang Xitian 
Published: December 2024

AbstractLithium–sulfur batteries (LSBs) offer high energy density and environmental benefits hampered by the shuttle effect related to sluggish redox reactions of long‐chain lithium polysulfides (LiPSs). However, the fashion modification of the d‐band center in separators is still ineffective, wherein the mechanism understanding always relies on theoretical calculations. This study visibly probed the evolution of the Co 3d‐band center during charge and discharge using advanced inverse photoemission spectroscopy/ultraviolet photoemission spectroscopy (IPES/UPS), which offers reliable evidence and are consistent well with theoretical calculations. This, coupled with in situ Raman and X‐ray diffraction (XRD) and electrochemical data, co‐evidences a novel pre‐activating S redox mechanism in LSBs: LiPSs desert/insert in C‐N matrixes within a series of Co@NCNT‐based separators. The insight of the S redox pre‐activation is discovered that the Co 3d‐band center downshifts to hybridized with S 2p orbitals in LiPSs, giving rise to a more pronounced S covalency and thus accelerating the conversion of LiPSs to S₈. Benefiting from these advantages, the optimized LSB possesses a minimal decay rate of 0.0058% after 200 cycles at a high discharge rate of 10 C. This study provides new insights into LSB mechanisms and supports conventional theoretical models of the d‐band center's impact on LSB performance.
Action Potential Firing Patterns Regulate Dopamine Release via Voltage‐Sensitive Dopamine D2 Autoreceptors in Mouse Striatum In Vivo
Authors: Sun Xiaoxuan , Yin Lili , Qiao Zhongjun , Younus Muhammad , Chen Guoqing , Wu Xi , Li Jie , Kang Xinjiang , Xu Huadong , Zhou Li , Li Yinglin , Gao Min , Du Xingyu , Hang Yuqi , Lin Zhaohan , Sun Liyuan , Wang Qinglong , Jiao Ruiying , Wang Lun , Hu Meiqin , Wang Yuan , Huang Rong , Li Yiman , Wu Qihui , Shang Shujiang , Guo Shu , Lei Qian , Shu Haifeng , Zheng Lianghong , Wang Shirong , Zhu Feipeng , Zuo Panli , Liu Bing , Wang Changhe , Zhang Quanfeng , Zhou Zhuan 
Published: December 2024

AbstractDopamine (DA) in the striatum is vital for motor and cognitive behaviors. Midbrain dopaminergic neurons generate both tonic and phasic action potential (AP) firing patterns in behavior mice. Besides AP numbers, whether and how different AP firing patterns per se modulate DA release remain largely unknown. Here by using in vivo and ex vivo models, it is shown that the AP frequency per se modulates DA release through the D2 receptor (D2R), which contributes up to 50% of total DA release. D2R has a voltage‐sensing site at D131 and can be deactivated in a frequency‐dependent manner by membrane depolarization. This voltage‐dependent D2R inhibition of DA release is mediated via the facilitation of voltage‐gated Ca2+ channels (VGCCs). Collectively, this work establishes a novel mechanism that APs per se modulate DA overflow by disinhibiting the voltage‐sensitive autoreceptor D2R and thus the facilitation of VGCCs, providing a pivotal pathway and insight into mammalian DA‐dependent functions in vivo.
Novel Insights into Enhanced Stability of Li‐Rich Layered and High‐Voltage Olivine Phosphate Cathodes for Advanced Batteries through Surface Modification and Electron Structure Design
Authors: Liang Zhili , Baubaid Abdulaziz , Radtke Mariusz , Mellin Maximilian , Maheu Clément , Maiti Sandipan , Sclar Hadar , Píš Igor , Nappini Silvia , Magnano Elena , Bondino Federica , Winkler Robert , Hausbrand René , Hess Christian , Alff Lambert , Markovsky Boris , Aurbach Doron , Jaegermann Wolfram , Cherkashinin Gennady 
Published: December 2024

AbstractThe design of cathode/electrolyte interfaces in high‐energy density Li‐ion batteries is critical to protect the surface against undesirable oxygen release from the cathodes when batteries are charged to high voltage. However, the involvement of the engineered interface in the cationic and anionic redox reactions associated with (de‐)lithiation is often ignored, mostly due to the difficulty to separate these processes from chemical/catalytic reactions at the cathode/electrolyte interface. Here, a new electron energy band diagrams concept is developed that includes the examination of the electrochemical‐ and ionization‐ potentials evolution upon batteries cycling. The approach enables to forecast the intrinsic stability of the cathodes and discriminate the reaction pathways associated with interfacial electronic charge‐transfer mechanisms. Specifically, light is shed on the evolution of cationic and anionic redox in high‐energy density lithium‐rich 0.33Li2MnO3·0.67LiNi0.4Co0.2Mn0.4O2 (HE‐NCM) cathodes, particularly those that undergo surface modification through SO2 and NH3 double‐gas treatment to suppress the structural degradation. The chemical composition and energy distribution of the occupied and unoccupied electronic states at the different charging/discharging states are quantitatively estimated by using advanced spectroscopy techniques, including operando Raman spectroscopy. The concept is successfully demonstrated in designing artificial interfaces for high‐voltage olivine structure cathodes enabling stable battery operation up to 5.1 V versus Li+/Li.
Confined water accelerated alkene epoxidation inside channels of Ti‐beta zeolite
Authors: Lin Dong , Zheng Xiuhui , Zong Ze , Xu Yang , He Qiuming , Ma Zhe , Chen De , Yang Chaohe , Feng Xiang 
Published: December 2024

AbstractComprehensive mechanistic explorations and profound understandings of the interactions between water molecules and active intermediates harbors tremendous significance in the field of zeolite catalysis. Herein, we envision a strategy to accelerate alkene epoxidation reactions (e.g., 1‐pentene, 1‐hexene, cyclohexene, cyclooctene) with preformed H2O2 inside confined channels of Ti‐beta by water molecules. Combined with in situ UV–vis, kinetic experiments, and DFT calculations, it is found that keen control of water molecules could effectively enhance H2O2 adsorption and stabilize crucial oxygen intermediates (Ti‐OOH) by hydrogen bonding interactions. As a result, the yields of corresponding epoxides increased up to 20.5%. However, excessive water clusters construct a dense and robust hydrogen‐bond network, blocking the activation of reactants and further epoxidation over Ti sites. This finding not only sheds new light on the mechanism of water‐accelerated reaction, but also opens up new opportunities to enhance the efficiency of industrial epoxidation reactions involving H2O2.
Electrochemical Dicarboxylation of Vinyl Epoxide with CO2 for the Facile and Selective Synthesis of Diacids
Authors: Yang Deyong , Sun Ying , Feng Nan , Zhong Yuqing , Zhou Jian , Zhou Feng 
Published: December 2024

AbstractWe present a novel electrochemical dicarboxylation of epoxides with CO2, characterized by the cleavage of two C−O single bonds. Not only are vinyl epoxides viable, but cyclic carbonates also serve as effective substrates, facilitating the synthesis of E‐configured adipic and octanedioic acids with high chemo‐, regio‐, and stereoselectivity. The synthetic practicality is further highlighted by the diverse functionalizations of the resulting multifunctional diacids. Mechanistic studies support the single‐electron transfer reduction of CO2 to its radical anion, which undergoes radical addition to the vinyl moiety of epoxides. The subsequent reductive cleavage of two C−O bonds, coupled with a nucleophilic attack on CO2, culminates in the formation of the desired diacid products.
Fabric Reinforced Polybenzoxazine Aerogel Composite With Lightweight, High Compressive Strength, and High‐Temperature Resistance to 1100°C
Authors: Liu Chun , Ji Hui , Wang Jing , Wang Mingkang , Xiao Yunyun , Zhang Sizhao , Ding Feng 
Published: December 2024

ABSTRACTHigh‐temperature resistance polymer composites are crucial for application in aerospace field. Polybenzoxazine (PBz) aerogel is a novel insulation material with excellent mechanical properties, low bulk density, and low thermal conductivity, which has potential application in thermal protection systems. However, the improvement of high residual char rates for shape‐keeping purposes at high‐temperature is still a critical challenge. Herein, a novel kind of PBz aerogel composite reinforced with mullite‐fiber fabric (PBZ‐MF) is prepared by sol‐immersion‐gel strategy. The prepared composite integrates the nanoporous structure of aerogel with the fascinating properties of mullite‐fiber fabric, resulting in relatively low thermal conductivity (0.0557–0.0647 W m−1 K−1 at 25°C and normal pressure), lightweight (0.41–0.47 g cm−3), outstanding flame resistance (self‐extinguishing time as short as 0.7 s), and high compressive modulus (20.611–32.656 MPa). Furthermore, PBz‐MF demonstrates exceptional high‐temperature resistance and shape‐keeping properties even at 1100°C. This work provides valuable insights into the development of lightweight insulation materials and expands the potential applications of aerogel composites in thermal protection systems within the aerospace field.
Effects of Infill Strategies on the Tensile Properties and Fracture Behavior of 3D‐Printed Polylactic Acid
Authors: Li Fazong , Ji Yingping , Wang Fei , Long Liangping , Huang Heng 
Published: December 2024

ABSTRACTIn this study, eight infill strategies with multiple infilling modes (line, grid, and honeycomb) were used in manufacturing 3D printing of a polylactic acid (PLA) by fused deposition modeling (FDM) process, and the resulting surface topographies and tensile properties were reported. The results showed that the grid/line/grid and honeycomb/line/ honeycomb samples with sandwich structures had the best tensile fracture resistance, which depended directly on the degree of quality of the interlayer. Based on the analysis of the scanning electron microscopy (SEM) of the fracture surface, the improving tensile properties of 3D samples in sandwich structures with line in core were attributed to effective raster, layer bonding, and fewer voids. The finite element (FE) simulation was performed on 3D‐printed parts to predict von Mises stress and tensile strength, which made it possible to reduce the design time to improve the tensile behavior of 3D‐printed structures.
Dopamine‐Assisted Polyethyleneimine Deposition Modification of Hypercrosslinked Polystyrene for Enhanced Adsorption of the Dye Congo Red
Authors: Huang Suning , Xie Zicheng , Zhu Haixin , Jiang Shanshan , Lu Sheng , Huang Yuewen , Wang Bin 
Published: December 2024

ABSTRACTCongo red dye wastewater is highly toxic and nondegradable, posing a significant threat to the environment. Hypercrosslinked porous materials (HCP) are effective candidates for the removal of dyes from wastewater. In this study, hypercrosslinked polystyrene (HCPS) with high specific area (1073.08 m2/g) was synthesized by using waste expanded polystyrene (EPS) as starting material. HCPS was then modified through a simple dopamine‐assisted deposition of polyethyleneimine, resulting in the modified material HCPS@PDA/PEI, which retained a significant specific surface area of 738.36 m2/g and a porous structure with abundant functional groups. HCPS@PDA/PEI exhibits remarkable efficacy as a high‐performance adsorbent for the removal of Congo red (CR) from aqueous solutions. The adsorption process of CR conforms to the pseudo‐second‐order kinetic model. Further fitting with the Langmuir isotherm model elucidates that the adsorption of CR occurs as a monolayer chemical adsorption, with a maximum adsorption capacity of 1030.31 mg/g, which is triple that of the unmodified HCPS (291.54 mg/g). The adsorption activation energy and thermodynamic parameters substantiate that the adsorption process is chemical in nature, spontaneous, and endothermic. Consequently, HCPS@PDA/PEI holds considerable promise for applications in the treatment of dye‐contaminated wastewater.
Deoxyvasicinone hybrids in the management of Alzheimer's disease: Recent advances on manmade derivatives, pharmacological activities, and structure–activity relationship
Authors: Gaur Ankur , Singh Yash Pal , Sharma Rajiv , Bainsal Neeraj 
Published: December 2024

AbstractAlzheimer's disease (AD) is a prevalent neurological illness that affects over 80% of aged adults globally in cases of dementia. Although the exact pathophysiological causes of AD remain unclear, its pathogenesis is primarily driven by several distinct biochemical alterations: (i) the accumulation of toxic Aβ plaques, (ii) the hyperphosphorylation of tau proteins, (iii) oxidative stress resulting in cell death, and (iv) an imbalance between the two main neurotransmitters, glutamate and acetylcholine (ACh). Currently, there are very few medications available and no treatment. Presently marketed medications include memantine, an N‐methyl‐d‐aspartate receptor (NMDA) antagonist, and acetylcholinesterase (AChE) inhibitors: rivastigmine, donepezil, and galantamine. Unfortunately, these medications are only useful in the initial stages of AD. The mentioned medications only provide symptomatic relief and do not slow down the disease progression in the advanced stages. Therefore, there is an urgent need to develop potential candidates to treat AD, symptomatically and therapeutically. Many research groups focus on natural products due to their diverse therapeutic profiles and easy availability. One such natural product is deoxyvasicinone, isolated from Adhatoda vasica. Given its broad pharmacological profile, various researchers have developed semisynthetic hybrids of deoxyvasicinone to address multifaceted diseases like AD. In this review article, we tried to summarize the semisynthetic hybrids of deoxyvasicinone developed over the past decade (2014–2024) for managing AD. We focus on their design, pharmacological activity, and structure–activity relationship (SAR) analysis. We hope this review enhances the reader's understanding of future exploratory options for deoxyvasicinone hybrids in AD management.