摘要：过渡金属氧化物具有丰富的功能性,但其错综复杂的内部自由度对相图绘制和结构设计提出了挑战.本文中,我们引入了描述相图物理起源的轨道能级序(ELO),并通过对La_(0.67)Sr_(0.33)MnO_(3)(LSMO)氧化物的研究证明了其在相图预测中的有效性.结合DFT计算和实验,我们构建了氧含量和应变关联的LSMO相图,结果表明LSMO结构稳定性与ELO密切相关.据此发现了一种由ELO演化而产生的四倍氧有序相.最后,我们提出了描述轨道分裂程度的轨道弹性定律,阐明了ELO演化的起源,助力功能氧化物的设计.这项研究拓宽了材料科学领域的性能调控手段,并为从轨道角度预测相图提供了思路.

摘要：电催化二氧化碳还原反应(CO_(2)RR)能够利用可再生电能将CO_(2)转化为高附加值化学品和燃料,是一项有望缓解当下环境挑战的技术方案.本文总结了CO_(2)RR稳足性下降的根本原因,并探讨了解决这一问题的有效策略以及最新的研究进展.首先,在外加电位的作用下,催化剂会发生结构转变,且碳沉积或气体杂质引起的催化剂中毒都会降低CO_(2)RR的稳定性.其次,气体扩散层(GDL)附近发生水淹和盐沉淀会阻碍反应物/生成物的传输,三相界面会受到破坏.在长时间服役时,液压和电流的作用会导致GDL开裂.在电解质方面,碱性电解质会与CO_(2)中和,形成碳酸盐沉淀;而酸性介质腐蚀催化剂,并伴随严重的析氢副反应.另外,电解质中的金属离子杂质的优先还原进一步加剧了稳定性的衰减.深入理解CO_(2)RR中各类失活现象对设计稳定、高效的CO_(2)电催化系统具有指导意义.针对CO_(2)RR稳定性研究目前所面临的困境,本文最后展望了该领域未来的研究方向.

摘要：作为细胞中的主要运输系统,天然囊泡在物质的定点输运过程中具有至关重要的作用.高分子囊泡是与之结构相似的一种人工囊泡,具有优异的膜稳定性和胶体稳定性、高药物负载率、低膜穿透性、优异的可修饰性和长循环时间等优势,在生物医用领域具有广泛的应用前景.然而,目前该领域尚面临一系列重要挑战,如合成和制备方法较为复杂、生物相容性较难预测、功能和递送途径有限等,限制了其临床转化之路.本文从囊泡的构建模块合成、自组装技术和潜在的生物医学应用等角度,提出了设计和制备下一代高分子囊泡需要解决的五个关键科学问题,指出了未来面临的重要挑战和发展方向,例如简化设计和合成过程,优化和规范自组装过程,拓展潜在的应用前景.

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：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：Three-dimensional(3D)printing has attracted increasing research interest as an emerging manufacturing technology for devel-oping sophisticated and exquisite architecture through hierarchical *** has also been employed in various advanced industrial *** development of intelligent biomedical engineering has raised the requirements for 3D printing,such as flexible manufacturing processes and technologies,biocompatible constituents,and alternative ***,state-of-the-art 3D printing mainly involves inorganics or polymers and generally focuses on traditional industrial fields,thus severely limiting applications demanding biocompatibility and *** this regard,peptide architectonics,which are self-assembled by programmed amino acid sequences that can be flexibly functionalized,have shown promising potential as bioinspired inks for 3D ***,the combination of 3D printing and peptide self-assembly poten-tially opens up an alternative avenue of 3D bioprinting for diverse advanced ***,a small but innovative nation,has significantly contributed to 3D bioprinting in terms of scientific studies,marketization,and peptide architectonics,including modulations and applications,and ranks as a leading area in the 3D bioprinting *** review summarizes the recent progress in 3D bioprinting in Israel,focusing on scientific studies on printable components,soft devices,and tissue *** paper further delves into the manufacture of industrial products,such as artificial meats and bioinspired supramolecular architectures,and the mechanisms,physicochemical properties,and applications of peptide ***,Israel contributes significantly to the field of 3D bioprinting and should thus be appropriately recognized.

摘要：结构化液体是近年来基于二元流体体系,利用固体粒子液/液界面自组装和堵塞相变构筑的一类非平衡态软物质材料,兼具固体的结构稳定性和液体的流动性.然而,受限于组装基元和成型方法,制备具有精准结构的智能结构化液体及衍生功能材料仍面临挑战.我们课题组在该领域开展了大量研究工作,在发展界面调控新机制,制备液体/固体新材料,以及实现材料器件新突破等方面取得了系列创新成果.本专论从固体粒子界面自组装机制出发,重点阐述了一种利用纳米粒子和聚合物液/液界面共组装制备纳米粒子表面活性剂,进而构筑结构化液体的普适策略;总结归纳了结构化液体在响应性调控、高效精准构筑以及功能材料制备等方面的研究进展;并对该领域面临的机遇和挑战做出展望.

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

摘要：有机共晶,由于其光热转换性质,为光热成像、生物应用和海水淡化等诸多领域带来了希望和活力.然而,有机共晶的光热转换机制尤其缺少详细且深入的理论研究.本研究使用含时密度泛函理论方法探索了激发和去激发过程,并解释了DBTTF-TCNB共晶比其组分单晶具有更高光热转换效率的原因.结果显示,高激发态的高占比促进了非辐射跃迁的发生.基于DBTTF-TCNB共晶中给电子基团和吸电子基团间的电荷转移结果,我们发现给体和受体之间吸引电子的竞争可能会促进光热转换,且给电子基团在共晶结构中也十分重要.这些结果可为光热转换共晶的设计提供理论指导.轨道贡献和电子密度差进一步证明了我们的结论.因此,本研究从量子化学的角度给光热共晶在创新领域的应用提供了理论依据.

摘要：Objective To observe the value of deep learning (DL) models for automatic classification of echocardiographic views. Methods Totally 100 patients after heart transplantation were retrospectively enrolled and divided into training set, validation set and test set at a ratio of 7 ∶ 2 ∶ 1. ResNet18, ResNet34, Swin Transformer and Swin Transformer V2 models were established based on 2D apical two chamber view, 2D apical three chamber view, 2D apical four chamber view, 2D subcostal view, parasternal long-axis view of left ventricle, short-axis view of great arteries, short-axis view of apex of left ventricle, short-axis view of papillary muscle of left ventricle, short-axis view of mitral valve of left ventricle, also 3D and CDFI views of echocardiography. The accuracy, precision, recall, F1 score and confusion matrix were used to evaluate the performance of each model for automatically classifying echocardiographic views. The interactive interface was designed based on Qt Designer software and deployed on the desktop. Results The performance of models for automatically classifying echocardiographic views in test set were all good, with relatively poor performance for 2D short-axis view of left ventricle and superior performance for 3D and CDFI views. Swin Transformer V2 was the optimal model for automatically classifying echocardiographic views, with high accuracy, precision, recall and F1 score was 92.56%, 89.01%, 89.97% and 89.31%, respectively, which also had the highest diagonal value in confusion matrix and showed the best classification effect on various views in t-SNE figure. Conclusion DL model had good performance for automatically classifying echocardiographic views, especially Swin Transformer V2 model had the best performance. Using interactive classification interface could improve the interpretability of prediction results to some extent.