贝叶斯网络在中医药理论研究的现状及与超分子化学联合应用前景

由超分子化学重构的中医药基本理论可通过一系列方法和手段进行研究,但需借助优质的数学方法与技术从大量研究数据中挖掘其潜在的关联性、规律性等信息,进一步直观、清晰地阐明中医药超分子化学理论。诸多数据挖掘技术中,贝叶斯网络最为符合推理过程,是当前在不确定知识表达和推理领域中最有效的理论模型之一,尤其适合于中医药超分子复杂体系的研究。本文阐述了贝叶斯网络的发展历程及基本理论,对其在中医药研究中的现状作综述,探讨贝叶斯网络与中医药超分子化学相辅相成的关系,二者有机结合、联合应用可为中医药理论体系研究提供定性、定量的表征方法和手段,为中医药现代化提供强大臂助。     

瓜环家族新成员——半瓜环超分子化学研究进展

本文总结了一类新型大环化合物--半瓜环的发展历程,包括半瓜环的合成及结构特点;半瓜环与金属离子、阴离子及小分子主客体作用;半瓜环在超分子催化中的应用及底物结构对其催化性能的影响;新型半瓜环,例如环己基半瓜环和竹节半瓜环的合成及其超分子化学性质;作为一种新型的大环化合物,半瓜环的研究目前处于起步阶段,在超分子化学的基础研究及相关的应用研究方面有着广阔的前景.     

Synthesis beyond the molecule

Weak, noncovalent interactions between molecules control many biological functions. In chemistry, noncovalent interactions are now exploited for the synthesis in solution of large supramolecular aggregates. The aim of these syntheses is not only the creation of a particular structure, but also the introduction of specific chemical functions in these supramolecules.     

Quantum coherence in an exchange-coupled dimer of single-molecule magnets

A multi- high-frequency electron paramagnetic resonance method is used to probe the magnetic excitations of a dimer of single-molecule magnets. The measured spectra display well-resolved quantum transitions involving coherent superposition states of both molecules. The behavior may be understood in terms of an isotropic superexchange coupling between pairs of single-molecule magnets, in analogy with several recently proposed quantum devices based on artificially fabricated quantum dots or clusters. These findings highlight the potential utility of supramolecular chemistry in the design of future quantum devices based on molecular nanomagnets.     

Building programmable jigsaw puzzles with RNA

One challenge in supramolecular chemistry is the design of versatile, self-assembling building blocks to attain total control of arrangement of matter at a molecular level. We have achieved reliable prediction and design of the three-dimensional structure of artificial RNA building blocks to generate molecular jigsaw puzzle units called tectosquares. They can be programmed with control over their geometry, topology, directionality, and addressability to algorithmically self-assemble into a variety of complex nanoscopic fabrics with predefined periodic and aperiodic patterns and finite dimensions. This work emphasizes the modular and hierarchical characteristics of RNA by showing that small RNA structural motifs can code the precise topology of large molecular architectures. It demonstrates that fully addressable materials based on RNA can be synthesized and provides insights into self-assembly processes involving large populations of RNA molecules.     

Supramolecular Archimedean cages assembled with 72 hydrogen bonds

Self-assembly of multiple components into well-defined and predictable structures remains one of the foremost challenges in chemistry. Here, we report on the rational design of a supramolecular cage assembled from 20 ions of three distinct species through 72 hydrogen bonds. The cage is constructed from two kinds of hexagonal molecular tiles, a tris(guanidinium)nitrate cluster and a hexa(4-sulfonatophenyl)benzene, joined at their edges through complementary and metrically matched N-H···O-S hydrogen bonds to form a truncated octahedron, one of the Archimedean polyhedra. The truncated octahedron, with an interior volume of 2200 cubic angstroms, serves as the composite building unit of a body-centered cubic zeolite-like framework, which exhibits an ability to encapsulate a wide range of differently charged species, including organic molecules, transition metal complexes, and "ship-in-a-bottle" nanoclusters not observed otherwise.     

Supramolecular Materials: Self-Organized Nanostructures

Miniaturized triblock copolymers have been found to self-assemble into nanostructures that are highly regular in size and shape. Mushroom-shaped supramolecular structures of about 200 kilodaltons form by crystallization of the chemically identical blocks and self-organize into films containing 100 or more layers stacked in a polar arrangement. The polar supramolecular material exhibits spontaneous second-harmonic generation from infrared to green photons and has an adhesive tape-like character with nonadhesive-hydrophobic and hydrophilic-sticky opposite surfaces. The films also have reasonable shear strength and adhere tenaciously to glass surfaces on one side only. The regular and finite size of the supramolecular units is believed to be mediated by repulsive forces among some of the segments in the triblock molecules. A large diversity of multifunctional materials could be formed from regular supramolecular units weighing hundreds of kilodaltons.     

生物专业的有机化学在独立学院的教学探讨

针对独立学院生物专业的有机化学理论教学学时较少且学生学习基础相对薄弱的教 学实际情况,通过采用多样化的教学方法,同时应用网络信息技术教学手段,优化和整合有机化 学的教学内容,与科研相结合等几个方面进行有机化学的教学改革,提高了学生的学习积极性, 使有机化学的教学效果得到提升,为学院的应用型人才培养目标奠定坚实的知识基础。     

Molecular borromean rings

The realization of the Borromean link in a wholly synthetic molecular form is reported. The self-assembly of this link, which is topologically achiral, from 18 components by the template-directed formation of 12 imine and 30 dative bonds, associated with the coordination of three interlocked macrocycles, each tetranucleating and decadentate overall, to a total of six zinc(II) ions, is near quantitative. Three macrocycles present diagonally in pairs, six exo-bidentate bipyridyl and six endo-diiminopyridyl ligands to the six zinc(II) ions. The use, in concert, of coordination, supramolecular, and dynamic covalent chemistry allowed the highly efficient construction, by multiple cooperative self-assembly processes, of a nanoscale dodecacation with an approximate diameter of 2.5 nanometers and an inner chamber of volume 250 A(3), lined with 12 oxygen atoms.     

Reversible optical transcription of supramolecular chirality into molecular chirality

In nature, key molecular processes such as communication, replication, and enzyme catalysis all rely on a delicate balance between molecular and supramolecular chirality. Here we report the design, synthesis, and operation of a reversible, photoresponsive, self-assembling molecular system in which molecular and supramolecular chirality communicate. It shows exceptional stereoselectivity upon aggregation of the molecules during gel formation with the solvent. This chirality is locked by photochemical switching, a process that is subsequently used to induce an inverted chiral supramolecular assembly as revealed by circular dichroism spectroscopy. The optical switching between different chiral aggregated states and the interplay of molecular and supramolecular chirality offer attractive new prospects for the development of molecular memory systems and smart functional materials.     

基于慕课视角的高校食品化学实验课程教学研究

慕课是云计算和大数据在教育领域的具体应用和重要体现，它的出现对传统的高等教育产生了巨大挑战和深远影响。食品化学实验课程是加强学生内化理论知识，提高实验素养和培养创新能力的重要途径。笔者针对当前食品化学实验课程教学现状及存在问题，从教学内容优化、网上教学资源建设、课堂互动教学及课后反馈评价等方面，探讨了如何利用慕课这一新兴教学方式更好地改进食品化学实验课程教学的措施。     

Organic synthesis in Japan: from natural products to synthetic control

Organic chemistry in present day Japan, which has developed from early interest in natural products chemistry, now includes total synthesis, physical organic chemistry, synthetic methods, and organometallic chemistry. In this article, the current state of Japanese organic chemistry is briefly reviewed and a representative aspect of today's organic chemistry-exploration of new synthetic methodology-is discussed.     

New mechanisms for chemistry at surfaces

It is becoming increasingly apparent that chemistry at surfaces, whether it be heterogeneous catalysis, semiconductors etching, or chemical vapor deposition, is controlled by much more than the nature and structure of the surface. Recent experiments that principally make use of molecular beam techniques have revealed that the energy at which an incident molecule collides with a surface can be the key factor in determining its reactivity with or on the surface. In addition, the collision energy of an incident particle has proven essential to the finding of new mechanisms for reaction or desorption of molecules at surfaces, collision-induced activation and collision-induced desorption. These phenomena are often responsible for the different surface chemistry observed under conditions of high reactant pressure, such as those present during a heterogeneous catalytic reaction, and of low pressure of reactants (< 10(-4) torr), such as those present in an ultrahigh vacuum surface science experiment. This knowledge of the microscopic origins of the effect of pressure on the chemistry at surfaces has allowed the development of a scheme to bypass the high-pressure requirement. Reactions that are normally observed only at high reactant pressures, and which are the ones most often of practical importance, can now be carried out in low-pressure, ultrahigh vacuum environments.     

名优绿茶质量评定方法的研究

绿茶滋味化学鉴定法同感官审评法在名优绿茶质量评定中结果判别较大。分析了化学鉴定法不适合于名优绿茶质量评定的原因，提出名优绿茶质量评定以感官审评同理化测定相结合的综合评定法更为合理。     

多媒体技术在无机化学元素部分教学中的应用

元素化学是无机化学的重要组成部分。由于元素化学涉及的内容繁杂，化学反应很多，历年来是教学的难点。本研究结合无机化学元素部分多媒体教学实践，从课前准备，课堂教学，课后总结进行了探讨，指出多媒体技术的引入，提高了教学效果。     

Strong enhancement of nonlinear optical properties through supramolecular chirality

A new approach to second-order nonlinear optical (NLO) materials is reported, in which chirality and supramolecular organization play key roles. Langmuir-Blodgett films of a chiral helicene are composed of supramolecular arrays of the molecules. The chiral supramolecular organization makes the second-order NLO susceptibility about 30 times larger for the nonracemic material than for the racemic material with the same chemical structure. The susceptibility of the nonracemic films is a respectable 50 picometers per volt, even though the helicene structure lacks features commonly associated with high nonlinearity. Susceptibility components that are allowed only by chirality dominate the second-order NLO response.     

基于SPME 技术的水产品风味化学研究进展

就国内外水产品风味化学研究领域中SPME 方法的建立和应用情况进行综述。分析表明,SPME技术对水产品中挥发性物质的萃取效果较好;基于现有研究,提出了优化萃取过程中的搅拌速 率、开发特异性SPME涂层等改进意见。文章可为有意深入了解此技术并应用于水产品风味化学研究的读者提供参考。     

稀土元素的开发应用

稀土元素具有独特的化学、光学、磁学性能。国内外对稀土元素及其化合物的研究不断深入,稀土元素的应用范围更为广泛。介绍了稀土元素的开发应用情况。     

高等农业院校无机化学教学中绿色创新思维的培养探讨

注重培养学生的绿色创新思维是当今国际人才教育发展的大趋势。该文针对目前农业院校无机化学教育体系中存在的一些问题，并结合高等农业院校所具有的独特优势，提出了在无机化学教学中注入绿色创新思维培养，并对培养的具体方法和途径进行了探讨，进而激发大学生们对无机化学学习的热情和兴趣。     

农业高校分析化学课程教学绿色化的改革探索

针对农业高校分析化学课程教学的现状,以绿色化学为主线,进行了分析化学课程教学绿色化的改革探索。从教学理念、教学内容、教学方法和手段、考核手段等方面,提出了一系列改革思路和具体措施,取得了较好的教学效果。