摘要：Non-ionic deep eutectic solvents(DESs)are non-ionic designer solvents with various applications in catalysis,extraction,carbon capture,and ***,discovering new DES candidates is challenging due to a lack of efficient tools that accurately predict DES *** search for DES relies heavily on intuition or trial-and-error processes,leading to low success rates or missed *** that hydrogen bonds(HBs)play a central role in DES formation,we aim to identify HB features that distinguish DES from non-DES systems and use them to develop machine learning(ML)models to discover new DES *** first analyze the HB properties of 38 known DES and 111 known non-DES systems using their molecular dynamics(MD)simulation *** analysis reveals that DES systems have two unique features compared to non-DES systems:The DESs have①more imbalance between the numbers of the two intra-component HBs and②more and stronger inter-component *** on these results,we develop 30 ML models using ten algorithms and three types of HB-based *** model performance is first benchmarked using the average and minimal receiver operating characteristic(ROC)-area under the curve(AUC)*** also analyze the importance of individual features in the models,and the results are consistent with the simulation-based statistical ***,we validate the models using the experimental data of 34 *** extra trees forest model outperforms the other models in the validation,with an ROC-AUC of *** work illustrates the importance of HBs in DES formation and shows the potential of ML in discovering new DESs.

摘要：光催化CO_(2)还原合成太阳能燃料对缓解CO_(2)排放引起的全球变暖和降低化石燃料消耗具有重要意义.然而,目前的光催化剂仍然存在反应动力学缓慢和选择性不理想的问题,特别是对于C_(2+)产物的生成,极大地限制了光催化的工业化进程.过去几十年中,关于太阳能驱动的CO_(2)还原的研究展示出鼓舞人心的结果,包括活性位点的构建.本综述重点介绍了通过构建活性位点制备原子级分散催化剂在光催化CO_(2)还原中的最新进展,包括两个独立的活性位点、成对双活性位点和基于活性位点构型的纳米团簇.此外,详细讨论了CO_(2)在活性位点上的活化机制和表征方法.特别是考虑到实验研究与实际应用之间的差距,整合实验和理论的结果,以实现潜在的结构-活性关系和高目标产物选择性发展.最后,概述了该领域存在的挑战,并展望了活性位点的合理设计和机理研究.

摘要：Wearable biosensors have received great interest as patient-friendly diagnostic technologies because of their high flexibility and *** growing research and utilization of novel materials in designing wearable biosensors have accelerated the development of point-of-care sensing platforms and implantable biomedical devices in human health *** numerous potential materials,conjugated polymers(CPs)are emerging as ideal choices for constructing high-performance wearable biosensors because of their outstanding conductive and mechanical ***,CPs have been extensively incorporated into various wearable biosensors to monitor a range of target ***,fabricating highly reliable CP-based wearable biosensors for practical applications remains a significant challenge,necessitating novel developmental strategies for enhancing the viability of such ***,this review aims to provide consolidated scientific evidence by summarizing and evaluating recent studies focused on designing and fabricating CP-based wearable biosensors,thereby facilitating future *** the superior properties and benefits of CPs,this review aims to clarify their potential applicability within this ***,the fundamentals and main components of CP-based wearable biosensors and their sensing mechanisms are discussed in *** recent advancements in CP nanostructures and hybridizations for improved sensing performance,along with recent innovations in next-generation wearable biosensors are *** wearable biosensors have been—and will continue to be—an ideal platform for developing effective and user-friendly diagnostic technologies for human health monitoring.

摘要：Ensuring a sufficient oxygen supply is pivotal for the success of bioprinting applications since it fosters tissue integration and natural *** in oxygen concentration among diverse tissues necessitates the precise recreation of tissue-specific oxygen levels in imprinted constructs to support the survival of targeted *** oxygen-releasing biomaterials,such as oxygen-generating microparticles(OMPs),have shown promise for enhancing the oxygen supply of microenvironments in injured tissues,whether this approach is scalable for large tissues and whether tissue-specific bioinks with varying OMP concentrations remain printable remain *** study addresses this critical gap by introducing an innovative class of engineered oxygenated bioinks that combine colloidal-based microgels with *** report that incorporating nanosized calcium peroxide(nCaO_(2))and manganese oxide nanosheets(nMnO_(2))into hydrophobic polymeric microparticles enables precise modulation of oxygen release while controlling hydrogen peroxide ***,the fabrication of oxygenating and cytocompatible colloidal gels is achieved using an aqueous two-phase *** study thoroughly evaluates the fundamental characteristics of the resulting bioink,including its rheological behaviors,printability,shape fidelity,mechanical properties,and oxygen release ***,this study demonstrates the macroscopic scalability and cytocompatibility of printed constructs produced via cell-laden oxygenating colloidal *** showcasing the effectiveness of extrusion-based bioprinting,this study underscores how it can be used to fabricate biomimetic tissues,indicating its potential for new *** findings presented here advance the bioprinting field by achieving scalability with both high cell viability and the possibility of mimicking specifically oxygenated *** work thereby offers a promising avenue for the development of functional tissues with e

摘要：The response surface method (RSM) was applied to study the liquid phase alkylation of benzene with 1-decene catalyzed by means of silica supported Preyssler heteropoly acid. A three step experimental design was developed based on the central composite design (CCD). Catalyst loading, catalyst mass percent, and benzene to 1-decene molar ratio were used to optimize 1-decene conversion and linear alkylbenzene (LAB) yield. The results indicated that the quadratic model was significant for these two responses. The experimental results revealed that all variables had positive effect on 1-decene conversion. While increasing the catalyst loading tends to decrease LAB yield. Benzene to 1-decene molar ratio was found to be the most important factor that influenced LAB yield with a positive effect. Design expert software suggested several optimized solutions, among them the best choice was to use 31% catalyst loading, benzene to 1-decene molar ratio of 13, and catalyst percent of 3.6 wt% for obtaining 100% conversion and 88% LAB production yield.

摘要：The development of effective antifreeze peptides to control ice growth has attracted a significant amount of attention yet still remains a great ***,we propose a novel design method based on in-depth investigation of repetitive motifs in various ice-binding proteins(IBPs)with evolution *** this way,several peptides with notable antifreeze activity were *** particular,a designed antifreeze peptide named AVD exhibits ideal ice recrystallization inhibition(IRI),solubility,and biocompatibility,making it suitable for use as a cryoprotective agent(CPA).A mutation analysis and molecular dynamics(MD)simulations indicated that the Thr6 and Asn8 residues of the AVD peptide are fundamental to its ice-binding capacity,while the Ser18 residue can synergistically enhance their interaction with ice,revealing the antifreeze mechanism of ***,to evaluate the cryoprotection potential of AVD,the peptide was successfully employed for the cryopreservation of various cells,which demonstrated significant post-freezing cell *** work opens up a new avenue for designing antifreeze materials and provides peptide-based functional modules for synthetic biology.

摘要：The achievement of electrical spin control is highly *** promising strategy involves electrically mod-ulating the Rashba spin orbital coupling effect in materials.A semiconductor with high sensitivity in its Rashba constant to external electric fields holds great potential for short channel lengths in spin field-effect transistors,which is crucial for preserving spin coherence and enhancing integration ***,two-dimensional(2D)Rashba semiconductors with large Rashba constants and significant electric field responses are highly ***,by employing first-principles calculations,we design a thermodynamically stable 2D Rashba semiconductor,YSbTe_(3),which possesses an indirect band gap of 1.04 eV,a large Rashba constant of 1.54 eV·Åand a strong electric field response of up to 4.80 e·Å^(2).In particular,the Rashba constant dependence on the electric field shows an unusual nonlinear *** the same time,YSbTe_(3)has been identified as a 2D ferroelectric material with a moderate polarization switching energy barrier(~0.33 eV per formula).By changing the electric polarization direction,the Rashba spin texture of YSbTe_(3)can be *** out-standing properties make the ferroelectric Rashba semiconductor YSbTe_(3)quite promising for spintronic applications.

摘要：由于环境相容性好、分子结构可定制和有机物资源丰富等优势,水系锌-有机物电池(AZOBs)成为构建新一代大规模储能系统的关键技术.然而,电导率差、有机物溶解和单一活性基团等问题严重限制了有机物正极材料的倍率性能、稳定性和比容量.因此,具备多氧化还原中心和稳定骨架的有机物正极材料对于实现高性能有机物正极材料至关重要.这些多官能团有机物可协同作用并激发基于多电子转移的氧化还原反应,进而促进H^(+)/Zn^(2+)共嵌以显著提升电池性能.本文探索了多官能团有机物电极的分子结构与其氧化还原反应机理之间的构效关系.本文综述了多官能团有机正极材料在提高氧化还原电位、比容量、动力学以及稳定性等方面面临的挑战和解决策略,为进一步开发先进AZOBs的关键正极材料提供了重要基础.

摘要：铂(Pt)是质子交换膜燃料电池(PEMFCs)阳极氢氧化反应(HOR)中最先进的电催化剂.然而,Pt催化剂对CO(工业低成本氢燃料中的杂质)极度敏感从而中毒,这会引起器件性能的急剧衰退,导致器件运行成本高.因此,提高Pt催化剂的CO耐受性对PEMFCs的商业化推广至关重要.在此,我们设计合成了一种独特的PtNiW@WO_(x)核壳纳米线来提高Pt基催化剂对CO的耐受能力.机理研究表明,表面无定形的WO_(x)壳层可以作为分子围栏,在动力学上阻碍CO扩散到达Pt位点.在热力学上,Ni和W元素合金化产生的电子效应可以使Pt的d带中心降低,减弱CO在Pt位点上的化学吸附.此外,亲氧W元素可以加速水的解离,提供更多OH活性物种,促进CO的氧化脱附.因此,在1000ppm CO/H_(2)条件下,所设计的PtNiW@WO_(x)核壳纳米线催化剂表现出优异的HOR抗CO中毒性能,在4000 s后仍能保持超过90%的HOR电流密度,超过了原始的PtNi纳米线和目前报道的绝大多数Pt基催化剂.

摘要：Traditional tumor models do not tend to accurately simulate tumor growth in vitro or enable personalized treatment and are particularly unable to discover more beneficial targeted *** address this,this study describes the use of threedimensional(3D)bioprinting technology to construct a 3D model with human hepatocarcinoma SMMC-7721 cells(3DP-7721)by combining gelatin methacrylate(GelMA)and poly(ethylene oxide)(PEO)as two immiscible aqueous phases to form a bioink and innovatively applying fluorescent carbon quantum dots for long-term tracking of *** GelMA(10%,mass fraction)and PEO(1.6%,mass fraction)hydrogel with 3:1 volume ratio offered distinct pore-forming characteristics,satisfactorymechanical properties,and biocompatibility for the creation of the 3DP-7721 *** analysis and quantitative real-time fluorescence polymerase chain reaction(PCR)were used to evaluate the biological properties of the *** with the two-dimensional culture cell model(2D-7721)and the 3D mixed culture cell model(3DM-7721),3DP-7721 significantly improved the proliferation of cells and expression of tumor-related proteins and ***,we evaluated the differences between the three culture models and the effectiveness of antitumor drugs in the three models and discovered that the efficacy of antitumor drugs varied because of significant differences in resistance proteins and genes between the three *** addition,the comparison of tumor formation in the three models found that the cells cultured by the 3DP-7721 model had strong tumorigenicity in nude *** evaluation of the levels of biochemical indicators related to the formation of solid tumors showed that the 3DP-7721 model group exhibited pathological characteristics of malignant tumors,the generated solid tumors were similar to actual tumors,and the deterioration was *** research therefore acts as a foundation for the application of 3DP-7721 models in drug devel