高分子生物材料分子工程研究进展（下）

高分子生物材料分子工程研究进展（下）林思聪（南京大学高分子科学与工程系，生物材料分子工程及控制释放分子工程室，南京，２１００９３）４体内稳定的高分子生物材料目前用于制造半永久性内植物的体内稳定高分子生物材料主要有有机硅橡胶、聚四氟乙烯、聚对－苯二甲酸...  

分子工程和化学工程

分子工程从分子水平研究产品的设计和开发以及过程的设计和开发问题，在化学工程领域中，是一个活跃的前沿。它的重要基础是分子结构与热力学性质、传递性质以及反应动力学性质之间的定量关系。研究这些关系分别是分子热力学、分子传递现象和分子反应动力学的任务。本文着重讨论它们的进展。  

盘状液晶材料（1）聚集态结构及分子工程

介绍了盘状液晶材料的相分类和不同聚集态结构的特点，并对盘状液晶体系的分子工程和其它扩展性研究进展了综述。  

Ab Initio and in-Crystal Geometry of trans-1,4-Dibromo1,4-dicarboxymethylcyclohexane

The structure of trans-1,4-dibromo-1,4-dicarboxymethylcyclohexane (I) has been determined by single crystal x-ray diffraction. The molecules, located on symmetry centers, are in the rigid chair conformation with the Br and COOCH₃ axial and equatorial, respectively. The molecular geometry observed in the crystal is similar to that calculated for the isolated molecule using ab initio calculations performed at the HF/6-31(d) level. A peculiar arrangement of the carboxymethyl substituents, along with short contacts involving the Br atoms, seem to play a role in the stabilization of the crystalline structure.  

抗凝血高分子生物材料的表面设计

生物材料,尤其是血液接触材料,满足抗凝血性能是临床应用的首要前提。采用表面改性策略来提高材料表面的抗凝血性能,简单易行。表面改性主要包括表面设计和方法设计两个方面。本文对抗凝血性高分子生物材料的表面设计各类方法进行了综述,其中包括材料表面的微相分离结构、材料的负电荷表面设计、材料的亲(疏)水性表面设计、材料的生物活性化表面设计和材料的内皮细胞化表面设计等等,并重点阐述了两性离子的抗凝血表面设计。  

多孔晶体材料的分子工程学研究

功能无机晶体材料的定向设计与合成是化学及材料科学领域中一项重要的前沿课题。本文介绍了近十几年来我们在多孔晶体材料,主要包括分子筛和金属有机骨架晶体材料的分子工程学研究方面所取得的一些进展。其中包括提出了定向设计具有特殊孔道结构和特殊计量比分子筛多孔骨架结构的计算机方法;在国际上率先建立了分子筛多孔晶体材料合成与结构数据库-ZEOBANK;提出了一些有效的定向合成途径:基于模板效应、杂原子取代以及计算机数据挖掘指导合成分子筛多孔晶体材料;利用有机胺模板剂法、分子筛拓扑结构的设计和多核金属簇的构筑指导合成具有特殊孔道结构的金属有机框架多孔晶体材料。希望这些研究将为分子工程学的建设和发展起到积极的促进作用。  

A π‐Conjugation Extended Viologen as a Two‐Electron Storage Anolyte for Total Organic Aqueous Redox Flow Batteries

Extending the conjugation of viologen by a planar thiazolo[5,4‐d]thiazole (TTz) framework and functionalizing the pyridinium with hydrophilic ammonium groups yielded a highly water‐soluble π‐conjugation extended viologen, 4,4′‐(thiazolo[5,4‐d]thiazole‐2,5‐diyl)bis(1‐(3‐(trimethylammonio)propyl)pyridin‐1‐ium) tetrachloride, [(NPr)₂TTz]Cl₄ , as a novel two‐electron storage anolyte for aqueous organic redox flow battery (AORFB) applications. Its physical and electrochemical properties were systematically investigated. Paired with 4‐trimethylammonium‐TEMPO (N^Me‐TEMPO) as catholyte, [(NPr)₂TTz]Cl₄ enables a 1.44 V AORFB with a theoretical energy density of 53.7 Wh L⁻¹. A demonstrated [(NPr)₂TTz]Cl₄ /N^Me‐TEMPO AORFB delivered an energy efficiency of 70 % and 99.97 % capacity retention per cycle.  

聚合物多层膜的表面分子工程

概述了作者及其研究群体发展的基于氢键、配位键和共价键的聚合物交替沉积组装方法.在此基础上,重点讨论将溶液中的超分子组装与界面交替沉积相结合的非常规界面交替沉积组装方法.通过结构构筑与功能组装的结合,实现了不同表面物理化学性质的可控调节,包括仿生矿化、超疏水涂层、可控组装与释放、表面分子印迹等.这些研究结果对发展基于聚合物多层膜的表面分子工程具有重要意义.  

Recent advances in phenothiazine-based dyes for dye-sensitized solar cells

Dye-sensitized solar cells (DSSCs) have attracted significant attention as alternatives to conventional silicon-based solar cells owing to their low-cost production, facile fabrication, excellent stability and high power conversion efficiency (PCE). The dye molecule is one of the key components in DSSCs since it significant influence on the PCE, charge separation, light-harvesting, as well as the device stability. Among various dyes, easily tunable phenothiazine-based dyes hold a large proportion and achieve impressive photovoltaic performances. This class of dyes not only has superiorly non-planar butterfly structure but also possesses excellent electron donating ability and large π conjugated system. This review summarized recent developments in the phenothiazine dyes, including small molecule phenothiazine dyes, polymer phenothiazine dyes and phenothiazine dyes for co-sensitization, especially focused on the developments and design concepts of small molecule phenothiazine dyes, as well as the correlation between molecular structures and the photovoltaic performances.  

Palladium-catalyzed arylation/cyclization/desulfonation cascades toward 4-aryl quinolin-2(1H)-ones with diaryliodonium salts

Palladium-catalyzed cascades of arylation/cyclization/desulfonation of ortho-aminocinnamate esters by using diaryliodonium salts afforded a wide range of 4-aryl quinolin-2(1H)-ones. As such, the desired 4-aryl quinolin-2(1H)-ones with potential biological activity has been synthesized in the yields of 34–96%.