摘要：非稠环电子受体(NFREA)具有合成简单和结构修饰灵活的特点,是制备高性能低成本有机太阳电池(OSCs)的理想材料.本工作以不同侧链修饰的二氟苯并三氮唑(ffBTz)作为弱缺电子核(A’),分别设计合成了三种A-D-A’-D-A型NFREA,即ffBTz-BO、ffBTz-EH和ffBTz-C4.其中,ffBTz-EH,由于其合适的侧链长度,在分子结晶度和分子堆积优势取向之间取得了平衡,从而获得了更高的电荷迁移率.并且得益于高效的电荷传输和最合适的相分离形貌,基于ffBTz-EH的OSC获得12.96%的最高能量转换效率,这也是A-D-A’-D-A型NFREA获得的最高效率之一.本研究表明,A’核心上的烷基侧链在调节分子结晶度、活性层形貌和进一步调控器件性能方面起着至关重要的作用,这为未来设计高效低成本的A-D-A’-D-A型非稠环电子受体提供了思路.

摘要：临床上常用的广谱抗生素无法有效解决抗生素高度耐药ESKAPE菌感染的难题,ESKAPE耐药菌已经成为人类生命健康的重大威胁.抗生素与佐剂的联合治疗是解决抗生素耐药菌感染的重要途径,但是探索对所有ESKAPE耐药菌都具有广谱和高效抗菌活性的抗生素-佐剂组合仍然面临巨大挑战.在这里,我们提出了一种抗生素-佐剂的有效设计策略,将对ESKAPE中耐药阴性菌具有高活性的多粘菌素B(PMB)与模拟宿主防御肽的细菌膜靶向阳离子聚(2-噁唑啉)相结合.我们通过2-噁唑啉单体可控聚合,合成了一系列具有不同疏水性侧链的阳离子聚(2-噁唑啉).研究表明,聚(2-噁唑啉)和PMB的组合效果随着聚(2-噁唑啉)侧链疏水性的提高呈现出从拮抗效应到协同效应的逐渐变化.其中,优选的聚(2-噁唑啉)EACA-POX_(20)显著增强了PMB的抗菌活性,尤其是对于ESKAPE耐药阳性菌的抗菌活性增强了16–32倍.聚(2-噁唑啉)EACA-POX_(20)有效增强了PMB的抗菌活性并扩展了PMB的抗菌谱.聚(2-噁唑啉)和PMB的组合策略能够有效对抗所有耐药ESKAPE病原体,为解决ESKAPE耐药菌提供了新的思路.

摘要：将不同金属元素通过合金化形成二维材料(金属烯)对基础研究和纳米电子器件的实际应用具有重要意义,但目前鲜有金属烯材料是具有本征带隙的半导体.受离子晶体成键特征的启发,通过结构搜索、成键分析和高通量第一性原理计算,本文从2500多个双金属烯中筛选出一系列具有晶格动力学稳定和碱金属-金离子键的二维碱金属金化物双金属烯半导体.由于碱金属和金之间的大电负性差,其中32个碱金属金化物双金属烯是带隙范围为0.97~5.20 eV的半导体材料,而锂金双金属烯由于电负性差减小呈现出金属性.Bohn-Oppenheimer分子动力学模拟表明19个双金属烯在室温下结构稳定有利于实际应用.这项研究为设计双金属烯半导体提供了指导,并揭示了二维金属合金中成键行为和电子结构性质间的关联.

摘要：p-d轨道之间的相互作用是一种提升电催化性能的有效方法.然而,其对主族金属的电催化CO_(2)还原(eCO_(2)RR)的增强机制尚不清晰.因此,我们向金属Bi纳米片中引入了一系列过渡金属氧化物(TMO:Fe_(2)O_(3)、Co_(3)O_(4)、NiO),并以此研究引入TMO对Bi物种eCO_(2)RR性能的影响.根据原位傅里叶变换红外光谱(FTIR)和CO_(2)-程序升温脱附(TPD)的结果,Bi/TMO中的TMO可以增强CO_(2)的吸附和活化能力.密度泛函理论(DFT)计算结果表明,Bi活性位点^(*)OCHO吸附能及p轨道的优化可以降低CO_(2)到^(*)OCHO过程和^(*)OCHO到HCOOH过程的理论过电位.同时,由于Bi与TMO之间因复合而发生的电子重排也促进了催化剂与反应物之间的电子传输.因此,在热力学和动力学的双重作用下,Bi/TMO中的Bi活性位点表现出最佳的催化能力,在更宽的电位区间内实现了更高的催化活性和甲酸选择性.其中,Bi/Fe_(2)O_(3)的增强效果最为显著.在500 mV的宽电位区间内达到较高的甲酸的法拉第效率(>90%),在-0.8 VRHE时,甲酸的法拉第效率达到最大值99.7%(Bi的1.11倍),甲酸局部电流密度达到12.65 mA cm^(-2)(Bi的1.86倍).这一研究不仅建立了eCO_(2)RR性能增强与引入TMO之间的关系,也为理性设计高性能电催化剂提供了一条实用的、可扩展的途径.

摘要：采用中心复合设计优化了影响多孔型核壳复合颗粒(PCPs)直接压片(DC)性能的配方参数。分别以PVP和NH4HCO3作为壳层材料和制孔剂,选择共喷雾干燥为制备工艺。以PCPs的产率、流动性、压缩性和崩解时间作为响应值。结果表明,NH4HCO3和PVPK30的最佳配比分别为4.76%和9.42%。产率、流动性、压缩性和崩解时间的测定值分别为62.00%、38.50°、4.02 MPa和14.33 min。预测误差分别为2.99%、1.09%、5.70%和2.28%。在本研究中,最优的PCPs与四种DC辅料混合用于连续DC。结果表明,优化后的PCPs具有优良的直压性能和适用性,为其他中药制备PCPs及实现DC提供思路和理论支持。

摘要：Three-dimensional(3D)tumor models prepared from patient-derived cells have been reported to imitate some of the biological development processes of in situ tumors in *** 3D tumor models share several important characteristics with their in vivo tumor ***,their applications in tumor modeling,drug screening,and precision-targeted treatment are ***,the establishment of tumormodels is subject to several challenges,including advancements in scale size,repeatability,structural precision in time and space,vascularization,and the tumor ***,bioprinting technologies enabling the editorial arrangement of cells,factors,and materials have improved the simulation of tumormodels in *** the 3D bioprinted tumor models,the organoidmodel has been widely appreciated for its advantages of maintaining high heterogeneity and capacity for simulating the developmental process of tumor *** this review,we outline approaches and potential prospects for tumor model bioprinting and discuss the existing bioprinting technologies and bioinks in tumor model *** multidisciplinary combination of tumor pathology,molecular biology,material science,and additive manufacturing will help overcome the barriers to tumor model construction by allowing consideration of the structural and functional characteristics of in vitro models and promoting the development of heterogeneous tumor precision therapies.

摘要：Current electro spun membranes used for pulp capping still lack the sustained-release capability and long-term anti-inflammatory effects that are favorable for dental pulp *** this work,a single-layered poly(lac tic acid)(PLA)electro spun membrane loaded with amorphous calcium phosphate(ACP)and aspirin(PLA/ACP/Aspirin membrane,i.e.,PA A membrane)is sandwiched between two poly(lactic-co-glycolic acid)(PLGA)electro spun membranes as a novel sandwich-structured PLGA and PA A composite electro spun membrane(PLGA-PAA membrane)to resolve the need for sustained-release design and anti-inflammatory *** angle measurements indicate that the PLGA-PAA membrane is more hydrophilic than the PAA *** in vitro release study reveals that PLGA membranes coated on PAA membrane could slightly slow down ion release,while signiificantly prolonging aspirin *** also co-cultured membranes with dental pulp stem cells(DPSCs)and human monocytic THP-1 cells to evaluate their osteogenic ability and anti-inflammatory effects,*** with the PAA membrane,the PLGA-PAA membrane promotes cell adhesion,proliferation,and osteogenic differentiation.A prolonged anti-inflammatory effect of up to 18 days is also observed in the PLGA-PAA *** results suggest a promising strategy for fabricating an electro spun membrane system with controlled release capabilities and long-term anti-inflammatory effects for use as pulp-capping material for regeneration of the dentin-pulp complex.

摘要：热障涂层(TBC)被广泛应用于热端金属部件表面,使其免受高温气体侵蚀,其微观组织结构及服役性能与制备工艺和服役状态密切相关并相互作用。本文从热生长氧化物(TGO)增厚、相变、烧结等方面讨论了各种应力诱因导致的TBC失效机理,综述了目前常用于陶瓷层柱状结构制备的方法及其在缓和TBC服役过程中应力的应用。由于TBC制备工艺及服役条件不尽相同,通过与标准TBC比较,评价了不同工艺下制备的TBC使用寿命,总结了柱状结构TBC的长寿命服役机理。本文综述了柱状热障涂层的应力源、微观结构、制备工艺和使用性能的相互作用关系,为高性能TBC设计提供了参考。

摘要：新兴的量子点(QD)发光场效应晶体管(QLEFET)能够以较低成本产生高颜色纯度的发光,并且其光电特性易于调节.研究人员在设计器件结构和理解深层物理机制等方面已作了大量尝试,但由于界面处的电荷/激子损耗和QD层与相邻载流子传输层之间存在着较大的能量势垒,目前QLEFET的整体性能仍然偏低.鉴于此,本文采用一个介电层-QD-介电层的(DQD)的三明治夹层结构设计买现了外量子效率(EQE)超过20%的QLEFET.该DQD结构可以通过调节能带排列进一步调控器件中载流子行为,从而使激子复合区移动进入QD发光层.此外,通过抑制表面陷阱和界面电荷转移诱导的荧光碎灭引起的激子损耗,有效提高了激子的辐射复合.本研究提出的DQD夹层结构设计是一种改善QLEFET电致发光胜能的全新概念,也可以将其应用到其他材料体系中,促进QD在新型光电器件中的开发应用.

摘要：Cobalt nanoparticles(NPs)catalysts are extensively used in heterogeneous catalytic reactions,and the addition of alkali metal promoters is a common method to modulate the catalytic performance because the catalyst's surface structures and morphologies are sensitive to the addition of ***,the underlying modulation trend remains ***,the adsorption of alkali metal promoters(Na and K)on the surfaces of face-centered-cubic(FCC)and hexagonal-closest packed(HCP)polymorphous cobalt was systematically investigated using density functional ***,the effect of alkali promoters on surface energies and nanoparticle morphologies was revealed on the basis of Wulff *** FCC-Co,the exposed area of the(111)facet in the nanoparticle increases with the adsorption coverage of alkali metal ***,the(311),(110),and(100)facets would disappear under the higher adsorption coverage of alkali *** HCPCo,the Wulff morphology is dominated by the(0001)and(1011)facets and is independent of the alkali metal adsorption *** work provides insights into morphology modulation by alkali metal promoters for the rational design and synthesis of cobalt-based nanomaterials with desired facets and morphologies.