bluuebunny/crossref_metadata_2025_split huggingface dataset:
Entropy‐induced frustrated Lewis pairs in CeO2 for efficiently synthesizing dimethyl carbonate from CO2 and methanol
Authors: Zhang Qiaoyu , Liu Zhichao , Zu Qing , Zhu Daoyun , Huang Yangqiang , Chen Hao , Luo Xiao , Liang Zhiwu 
Published: February 2025

AbstractChemical conversion of carbon dioxide (CO2) to dimethyl carbonate (DMC) through reaction with methanol is an attractive and green synthesis strategy with the advantage of 100% atom economy for CO2. However, efficient CO2 activation to achieve high DMC yield remains challenging. Herein, we report defect‐rich cerium dioxide (CeO2) with abundant unsaturated Ce3+ and lattice oxygen induced by high‐entropy doping of five metals, which act as Lewis acid and base sites. Series characterizations reveal that incorporating five equimolar metals into CeO2 contributes to the formation of frustrated Lewis pairs (FLP) due to steric hindrance. Density functional theory calculations demonstrate that FLP sites transfer more charge to adsorbed CO2, bending the angle of the O‑C‑O bond to 119.4°, which is vital for CO2 activation. Efficient CO2 activation achieves a high DMC yield up to 14.0 mmolDMC/gcat, which is almost 4.5 times that obtained using commercial CeO2 (3.1 mmolDMC/gcat).
Hyaluronic Acid for Sinonasal Surgery: A Systematic Review and Meta‐Analysis
Authors: Gao Esther Yanxin , Tan Benjamin Kye Jyn , Teo Joie Yi Yun , He George Shiyao , Tan Claire Jing‐Wen , Yeo Brian Sheng Yep , Chua Andy Jian Kai 
Published: February 2025

ABSTRACTBackgroundHyaluronic acid has gained widespread attention for its potential role in sinonasal surgery, especially functional endoscopic sinus surgery (FESS), due to its wound healing and anti‐inflammatory properties. However, clinical evidence on its efficacy remains inconclusive. This meta‐analysis aims to clarify the efficacy of hyaluronic acid in improving both objective and subjective outcomes after sinonasal surgery.MethodsTwo blinded reviewers searched PubMed, Embase, and Scopus databases, then selected randomized controlled trials (RCTs) on hyaluronic acid use in sinonasal surgery compared to routine post‐operative care. The risk of bias was graded using the Cochrane Risk of Bias 2 (RoB 2) tool. Data was analyzed using random‐effects models to pool risk ratios for dichotomous outcomes and the ratio of means (RoM) for continuous outcomes. Publication bias was assessed via funnel plots and the trim‐and‐fill method.ResultsFrom 244 records, 15 RCTs—13 on FESS and two on septoplasty and inferior turbinoplasty—were selected, with 789 participants. Meta‐analysis for the 13 studies on FESS was performed. Hyaluronic acid significantly reduced synechiae formation (relative risk [RR] 0.65, 95% confidence interval [CI] 0.44–0.94), improved epithelialization (RR 0.48, 95% CI 0.27–0.86), and decreased post‐operative edema (RR 0.70, 95% CI 0.50–0.97) compared to routine post‐FESS care. All included studies had a low to moderate risk of bias, and there was no substantial publication bias. There were no adverse events reported.ConclusionsHyaluronic acid dressings are safe and may reduce synechiae, edema, and improve epithelialization after sinonasal surgery. Hyaluronic acid may be considered as an adjunct after FESS to optimize post‐operative outcomes.
Bird's eye view of natural products for the development of new anti‐HIV agents: Understanding from a therapeutic viewpoint
Authors: Al Amin Md. , Nafady Mohamed H. , Zehravi Mehrukh , Sweilam Sherouk Hussein , Kumar Kusuma Praveen , Akiful Haque M. , Unnisa Aziz , Singh Laliteshwar Pratap , Sayeed Mohammed , Alshehri Mohammed Ali , Ahmad Irfan , Emran Talha Bin , Uddin Md. Zia 
Published: February 2025

AbstractAcquired immune deficiency syndrome (AIDS) is the name used to describe several potentially life‐threatening infections and disorders that happen when HIV has severely compromised the immune system. The primary effect of HIV is to decrease host immunity, exposing the host to external pathogens. The development of pharmaceutical drugs that directly cure the infection is crucial because of the current wide‐ranging epidemic of HIV. Most therapeutic anti‐HIV drugs are nucleosides. However, their high toxicity and potential for drug resistance restrict their use. Many of the most effective clinical drugs used to inhibit HIV, the activation of latent HIV, and AIDS have been obtained from natural sources. This review focuses on potential natural medicinal products for treating and managing HIV and AIDS. Notwithstanding, further clinical research studies are needed to understand the subject and its dynamics.
Yunweiling alleviates functional constipation: integrating network pharmacology and experimental study
Authors: Zhang Peng , Li Wei , Zheng Weiwen , Liu Jinwen , She Nuonan , Chen Xia , Wen Weibo 
Published: February 2025

AbstractBackgroundThis study investigated the impacts and mechanisms of yunweiling in the management of Functional Constipation (FC) using network pharmacology and experimental research.MethodsUsing the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), Genecard, and Online Mendelian Inheritance in Man (OMIM) databases, a potential gene target for yunweiling in treating FC was found. A pharmacological network was built and viewed in Cytoscape. A protein interaction map was created with STRING and Cytoscape. ‘clusterProfiler’ helped uncover its mechanism. Molecular docking was done with AutoDock Vina. In a constipation mouse model, Western blot was used to assess yunweiling's effectiveness.ResultsTo investigate yunweiling's therapeutic effects on FC, we employed a loperamide‐induced constipation model. Successful model establishment was confirmed by first black stool time, reduced stool output, and impaired gastrointestinal motility. Yunweiling treatment, especially at high and medium doses, significantly alleviated constipation symptoms by reducing first black stool time, increasing stool output, and enhancing gastrointestinal motility. HE staining revealed yunweiling's ability to restore colon tissue structure. Yunweiling modulated the expression of key proteins TP53, P‐AKT, P‐PI3K, RET, and Rai, implicating its involvement in the PI3K‐Akt signaling pathway. Comparative analysis showed yunweiling to be more effective than its individual components (shionone, β‐sitosterol, and daucosterol) in improving constipation. The combination of yunweiling with TP53 and PI3K‐Akt inhibitors further enhanced its therapeutic effects, suggesting a synergistic mechanism.ConclusionsThe integration of network pharmacology and experimental investigations indicated the effectiveness of yunweiling in managing FC, offering essential theoretical support for clinical application.
Effects of pregnancy on neuron electrophysiology in prefrontal cortex, hippocampus, and basolateral amygdala of mouse brain
Authors: Bin Xuefan , Luo Huijuan 
Published: February 2025

AbstractBackgroundPregnancy affects learning and memory in women. Thus, to investigate the effects of pregnancy, the authors examined the brain electrophysiology of pregnant mice.MethodsUsing the whole‐cell patch‐clamp technique on isolated brain slices, we detected and compared the electrophysiological changes in the hippocampal CA1 (HIP CA1) region, medial prefrontal cortex (mPFC), and basolateral amygdala (BLA) among 15 pregnant and 15 nonpregnant mice.ResultsIn pregnant mice, there was a trend toward an increase in the frequency of miniature excitatory postsynaptic currents (mEPSCs) (p = 0.092) and a trend toward a decrease in the amplitude of miniature inhibitory postsynaptic currents (mIPSC) (p = 0.071) in the HIP CA1. In the BLA, both the amplitudes of mEPSCs and mIPSCs were significantly reduced (p = 0.004 and 0.042, respectively). In the mPFC, the amplitudes of mEPSCs and hyperpolarization‐activated currents (Ih), as well as the frequencies of mIPSCs, were higher compared to nonpregnant mice (p = 0.035, 0.009, and 0.038, respectively).ConclusionsIn pregnant mice, the electrophysiological change in neurons in the mPFC and BLA might contribute to the cognitive and emotional changes during pregnancy. A trend toward electrophysiological change in the HIP CA1 revealed that the mechanism of cognitive change during pregnancy might differ from that of other conditions.
Animal models of human herpesvirus infection
Authors: Jia Ziqing , Zhang Dong , Zhu Lin , Xue Jing 
Published: February 2025

AbstractHuman herpesvirus, a specific group within the herpesvirus family, is responsible for a variety of human diseases. These viruses can infect humans and other vertebrates, primarily targeting the skin, mucous membranes, and neural tissues, thereby significantly impacting the health of both humans and animals. Animal models are crucial for studying virus pathogenesis, vaccine development, and drug testing. Despite several vaccine candidates being in preclinical and clinical stages, no vaccines are current available to prevent lifelong infections caused by these human herpesviruses, except for varicella‐zoster virus (VZV) vaccine. However, the strict host tropism of herpesviruses and other limitations mean that no single animal model can fully replicate all key features of human herpesvirus‐associated diseases. This makes it challenging to evaluate vaccines and antivirals against human herpesvirus comprehensively. Herein, we summarize the current animal models used to study the human herpesviruses including α‐herpesviruses (herpes simplex virus type 1(HSV‐1), HSV‐2, VZV), β‐herpesviruses (human cytomegalovirus (HCMV), γ‐herpesviruses (Epstein–Barr virus (EBV)) and Kaposi's sarcoma herpesvirus (KSHV)). By providing concise information and detailed analysis of the potential, limitations and applications of various models, such as non‐human primates, mice, rabbits, guinea pigs, and tree shrews, this summary aims to help researchers efficiently select the most appropriate animal model, offering practical guidance for studying human herpesvirus.
Zeolite Blending: A New Approach to Direct Crystallization of Aluminosilicate Zeolite
Authors: Sawada Masato , Okubo Kensuke , Lu Yao , Bekhti Samya , Toyoda Hiroto , Zhao Liang , Onozuka Hiroaki , Tsutsuminai Susumu , Kondo Junko N. , Gies Hermann , Yokoi Toshiyuki 
Published: February 2025

AbstractVarious synthesis methods for zeolites have been developed to date; however, precise control over aluminum (Al) content remains a significant challenge. For instance, in the case of CON‐type zeolites, it is especially difficult to obtain a Si/Al ratio below a value of approximately 100 by direct synthesis, and below approximately 30 by post‐treatment. In this study, we have developed a novel direct synthesis method of the CON‐type zeolite having desired Al content by applying the interzeolite conversion/interzeolite transformation, wherein precursor zeolites that possess common composite building units (CBUs) with the target zeolite are employed as the Al and Si source. Initially, a single zeolite was utilized as a precursor, resulting in the successful synthesis of a high Al CON‐type zeolite (Si/Al=40). Finally, we developed a novel synthesis method of the CON‐type zeolite; blending of two types of zeolites, MFI and Beta, as starting material in the IZC method led to the direct crystallization of the CON‐type aluminosilicate with high Al content (Si/Al=20).
Engineering the Catalytic Superlattices for Highly Reversible Sodium‐Ion Storage with A high Compositional Conversion Degree
Authors: Wang Jingyi , Liu Tongfeng , Chen Biao , Qi Zijia , Xie Haonan , Wu Guangxuan , Xiao Liyang , Zhou Jingwen , Ma Liying , He Fang , He Chunnian , Hu Wenbin , Zhao Naiqin 
Published: February 2025

AbstractA major obstacle of transition metal disulfides in sodium‐ion batteries is compositional irreversible conversion, leading to fast capacity decay. Here, we propose to engineer a catalytic superlattice structure for achieving a record‐high compositional reversible conversion degree (≈100 %). The superlattice is constructed by alternately stacking MoS2 layers and nitrogen/oxygen co‐doped reduced graphene oxide‐supported single‐atom metal layers (MoS2/M‐ONG SL, M=Fe, Co, Ni, Cu, Zn) with 100 % MoS2/M‐ONG interfaces, in which the metal atoms bridge the two layers through S−M‐O chemical bonds. Using MoS2/Co‐ONG SL as a model, the unique superlattice structure shows excellent electron and Na+ transport properties during discharge and charge. Moreover, the Co‐ONG boosts Na2S adsorption and decomposition by forming Co‐3d and S‐3p hybridization. As a result, the MoS2/Co‐ONG SL shows a high compositional reversible conversion degree(≈100 %), as proven by a series of in‐/ex situ spectroscopic analyses. As a result, the MoS2/Co‐ONG SL exhibits a stable cycling stability of 300.7 mAh g−1 after 2000 cycles at 2 A g−1, with an ultrasmall capacity decay rate of 0.41 % per 100 cycles. This work offers a noteworthy perspective on the design and fabrication of conversion‐type materials, emphasizing the crucial role of interface engineering in achieving excellent bidirectional reaction kinetics.
Selective and Potent Molecular Glue Degraders for NIMA‐Related Kinase 7
Authors: Chen Lu , Huang Lu , Wen Wuqiang , Zeng Pingping , Wu Yuanyuan , Han Qiangqiang , Chen Xi , Guo Zhixiang , Yu Haijun , Lu Wenchao , Jiang Baishan 
Published: February 2025

AbstractMolecular glue degraders (MGDs) represent a promising strategy for targeted protein degradation within cells. While chemoproteomics has unveiled hundreds of potential MGD targets, very few proteins are degraded by highly selective and potent MGDs. Here, we developed a novel glutarimide analog with a tetrahydroimidazo[1,2‐a]pyrazine scaffold that exhibited strong NIMA‐related kinase 7 (NEK7) degradation potential. Further optimization led to the identification of LC‐04‐045 as a leading NEK7 MGD candidate, demonstrating potent activity with a half‐maximal degradation (DC50) of 7 nM and a maximum degradation (Dmax) of 90 % in MOLT‐4 cells. Notably, LC‐04‐045 displayed high selectivity for NEK7 across the proteome. Mechanistic studies indicated that the degradation was mediated by the ubiquitin‐proteasome system (UPS) and relied on the glycine 57 (G57)‐containing degron motif in NEK7. Additionally, two amino acids adjacent to the degron motif were found to be crucial for modulating the compound's selectivity and potency, underscoring the significance of neighbouring residues in MGD design. Moreover, LC‐04‐045 effectively inhibited secretion of the downstream cytokines, including IL‐1β and IL‐18, highlighting the potential therapeutic applications of NEK7 MGDs in treating inflammatory diseases.
Multichannel Photon Stimulated C−C Coupling for CO2 Reduction in a Mixed Water/Acetonitrile Solvent
Authors: Sun Fu‐Li , Lin Cun‐biao , Luo Zhi‐rui , Chen Qing , Chen Wen‐Xian , Zhuang Gui‐Lin 
Published: February 2025

AbstractDesigning effective photocatalysts for carbon dioxide reduction reaction (CO2RR) requires a precise understanding of the dynamically photocatalytic mechanism under real conditions (e.g. solvent, light field). Herein, we coupled ab‐initio non‐adiabatic molecular dynamics (NAMD) simulation and density functional theory (DFT) calculation to theoretically reveal the detailed dynamic process for C−C Coupling under light field on Co‐supported monolayer black phosphorus (BP) catalyst Co@BP. Specially, Co@BP features excellent property for photocatalyst: high stability, long‐lived photogenerated carriers and stronger reducing ability. Thermodynamically, it shown that a dramatic difference in catalytic properties with 99.99 % selectivity for HCOOH in solvent‐free condition (Ea=0.29 eV) and 99.34 % selectivity for CH2CH2 in solution (Ea=0.33 eV). Slow‐growth based MD simulation results uncover that mixed solvent of water/acetonitrile (H2O/ACN) is beneficial for the formation of C2+ product and the optimal ratio H2O/ACN (1 : 9) mixture solvent for the conversion of CO2 to CH2CH2. Under light irradiation, we found that multichannel photons enable adsorbed CHO* to couple with CHO species diffusing from nearby active sites, further forming C2 intermediates in solution. This work highlights the importance of the reaction medium on the photogenerative carrier dynamics and offers a strategy to regulate product selectivity in photocatalytic CO2 conversion.
Molecular Origin of the Stretchability and Fatigue‐Resistance of Rotaxane‐Based Mechanically Interlocked Polymer Networks
Authors: Cheng Lin , Wang Wenbin , Bai Ruixue , You Wei , Liang Yuling , Yan Zhiwei , Zhang Rongchun , Yan Xuzhou , Yu Wei 
Published: February 2025

AbstractRotaxane‐based polymer networks leveraging host–guest recognition have recently emerged as a versatile platform for developing smart materials. Despite numerous studies on these polymers, their unique mechanical properties are mostly associated with the sliding motion of the macrocycle along the axle, leaving the impact of the presence or absence of interlocked structures on the mechanical performance of materials yet to be directly demonstrated. In this work, we present a densely (pseudo)rotaxane‐based supramolecular polymeric network (SPN) and a mechanically interlocked network (MIN) as model systems to explore how the mechanical interlocking unit dominates the material properties. Specifically, we have achieved a significant transition from SPN to MIN by finely tuning the stopper size, just substituting a methyl with a dimethyl group attached to the phenyl ring. Although their stereochemical structures are similar, a subtle increase in the stopper size can lead to striking improvements in stretchability and anti‐fatigue performance. The stopper size‐relevant dethreading behavior, as evidenced by a combined approach of solid‐state NMR spectroscopy and rheology, is the underlying molecular mechanism for the difference in the macroscopic mechanical properties. We anticipate that the fundamental understanding gained from this work will advance the development of rotaxane‐based materials with emergent functions and applications.
Conformal Reconstruction and Dual‐Vacancy Engineering Breaks Kinetics Limitations for Energetic Aqueous Dual‐Cation Storage
Authors: Li Chenxi , Guo Wei , Wang Jinxin , Dang Wanbin , Zhang Qiuyu 
Published: February 2025

AbstractEfficient aqueous energy storage with non‐metallic ions is highly desired but challenged by achieving kinetically favorable surface/interface storage chemistry. Herein, by refining the surface proton environment, layered double hydroxides (LDHs) with hydrogen‐aluminum dual vacancies and 3D diffusion channels are demonstrated upon conformal surface reconstruction. An energetic NH4+/H+ dual‐ion co‐intercalation chemistry is enabled, leading to a remarkable gravimetric specific capacity of up to 604 mAh g−1 and long‐cycle stability. Combining in‐situ Raman spectroscopy and in‐situ electrochemical quartz crystal microbalance (EQCM) techniques, we reveal and visualize the conformal reconstruction process and the reversible dual‐cation storage mechanism. Density functional theory (DFT) calculation shows that the dual‐vacancy coupling helps the dissolution of inert Al from LDHs for enriching active sites. At the same time, the residual Al shows the pining effect on the [MnO6] octahedron to restrain the Jahn–Teller distortion. The manganese sites adjacent to Al vacancies promote the adsorption of NH4+/H+ and the H vacancies facilitate the adsorption of NH4+, responsible for an optimal dual‐cation storage chemistry. This work demonstrates how the dual vacancies emerge to modulate the carrier migration and thereby the capacity, providing a viable solution of surface/interface optimization for efficient aqueous energy storage.
Expanding the Molecular Switches Toolbox: Photoreloadable Dithienylethene Mechanophores
Authors: Steponavičiūtė Medeina , Majee Debashis , Zhao Bisheng , Ungur Liviu , Presolski Stanislav 
Published: February 2025

AbstractMolecular switches are often thought of as nanoscopic equivalents to the electrical buttons and knobs ubiquitous in everyday life. However, mechanical force is rarely used to reversibly trigger rearrangements at the atomic scale, due to the difficulty in selectively breaking certain bonds, while keeping others intact. Here, we introduce two new mechanophores based on dithienylethene (DTE), which can be toggled between two states by ultraviolet light and sonication. Attaching various lengths of poly(ϵ‐caprolactone) either to the 2,2′ or the 5,5′ positions of the DTE core allowed us to study the kinetics of its mechanochemical cycloreversion. We employed computational methods to understand the root causes of the observed mechano‐regiochemical differences. Lastly, we show that our best performing DTE‐polymer conjugate can undergo numerous switching cycles by the alternating action of electromagnetic radiation and mechanical force.
High‐Performance White Circularly Polarized Photoluminescence and Electroluminescence from Multi‐Emission Enantiomers
Authors: Zhao Pei , Guo Wei‐Chen , Lu Hai‐Yan , Chen Chuan‐Feng 
Published: February 2025

AbstractA pair of multi‐emission enantiomers, (R)‐DO‐PSeZ and (S)‐DO‐PSeZ, was designed and synthesized by integrating Se‐induced conformationally isomeric donors with a chiral carbonyl‐containing acceptor into a unified molecular framework. The enantiomers showed white emission with blue, yellow and red multi‐emission bands in solution and film at CIE coordinates of (0.39, 0.35) and (0.33, 0.34), respectively. Doped film of the enantiomers achieved a high photoluminescence quantum yield of 42 %, accompanied by mirror‐image white circularly polarized photoluminescence (WCPPL) signals with a |gPL| value of 2.6×10−3. Moreover, the enantiomers also showed white circularly polarized electroluminescence (WCPEL) in organic light‐emitting diodes with CIE coordinates of (0.29, 0.33) and EQEmax of 3.1 %. Notably, this work represents the first single‐molecule multi‐emission WCPL materials and achieved the highest performance for white OLEDs based on single‐molecule organic materials with phosphorescent properties. Furthermore, leveraging Bragg reflection from dual‐layer cholesteric liquid crystals, the enantiomers achieved |gPL| and |gEL| values of 1.85 and 1.88, respectively, marking the highest reported values for WCPPL and WCPEL to date.
Post‐deposition Treatment of Sb2Se3 Enables Defect Passivation and Increased Carrier Transport Dimension for Efficient Solar Cell Application
Authors: Che Bo , Cai Zhiyuan , Xu Haonan , Sheng Shuwei , Zhao Qi , Xiao Peng , Yang Junjie , Zhu Changfei , Zheng Xusheng , Tang Rongfeng , Chen Tao 
Published: February 2025

AbstractPost‐deposition treatment in thin film preparation can compensate for the inability of directly deposited films by fundamentally altering the chemical, electrical, morphological and defect properties. However, as an emerging photovoltaic material, the synthesis of Sb2Se3 film has so far been unable to effectively adjust the carrier transport and defect properties, thereby hindering performance improvement. In this study, we report that P2O5 can serve as a post‐deposition treatment material to modify the chemical and electrical properties of Sb2Se3 thin films. Through experimental analysis, we discover that P atoms from P2O5 can occupy the Se vacancy and convert the deep‐level anti‐site defect (SbSe) to a shallower defect (PSe), rendering efficient defect passivation. Simultaneously, P‐doping induced lattice distortion closes the ribbon spacing of (Sb4Se6)n, promoting efficient carrier transport from one dimension to three dimensions. This structure reduces the restriction of carrier transport in low‐dimensional materials, which suppresses the carrier non‐radiative recombination and improves the carrier transport efficiency. As a result, we achieved a champion power conversion efficiency of 9.50 % in thermal evaporation derived Sb2Se3 superstrate solar cells. This study provides a novel strategy and guidance for passivating deep‐level defects and modifying the crystal structure of low‐dimensional solar cell materials.