内插空间与内插定理

(Ⅰ) §1.M. Riesz-Thorin内捅定理及其推广§2.抽象空间内插理论梗概2.1 发展概况     

内承式钢筒仓内承钢架的优化设计

对内承式钢筒仓的内承钢架的优化设计进行了理论分析，并给出计算程序框图和计算示例。     

鼻内空气过滤器

该实用新型公开了一种鼻内空气过滤器,其包括与鼻孔相贴合的壳体和一条设置在壳体内用于空气流通的通路;通路内设有用于过滤空气的过滤层;壳体与通路之间设有一用于保护过滤层的保护壳;过滤层包括从上至下依次排列的用于截留粉尘的一级过滤层、用于通过静电效应捕捉粉尘的二级过滤层、用于阻止空气中颗粒通过的三级过滤层、用于再次阻止空气中颗粒通过的四级过滤层、用于再次通过静电效应捕捉粉尘的五级过滤层及用于再次截留粉尘的六级过滤层。该鼻内空气过滤器有效地解决了出行时使用的空气过滤器使用不便和过滤效果差的问题,且安装道的横截面积大于通道的横截面积,使空气在经过通道后能完全地进入安装道内,保证了过滤地充分与有效。     

省略内聚集

给定一个可计算的自然数子集序列R，并假设R没有可计算的内聚集．我们证明：任何一个3-兼纳集合都不能计算R-内聚集；同时，存在一个Martin—Lof随机集，它不能计算R-内聚集．     

脑内投篮

一位心理学家曾做过这样的实验，把一些身体情况基本相同的学生分成三组，进行不同方式的投篮技巧训练：第一组学生坚持在20天内每天练习投篮，并把第一天和最后一天的投篮成绩记录下来，中间的练习不提任何要求，顺其自然。     

联合国内怪现象

39层高的联合国大厦坐落在纽约曼哈顿中城。作为世界上最大的政府间国际组织的办公场所,它显得高大巍峨,进进出出的各国政要更为它增添了几分神秘色彩。笔者有幸在这里工作两年有余,平日里仔细观察,发现联合国内也有许多怪现象。     

群内定位系统

随着人们生活水平提高和出行日渐使捷,人们的日常活动方式和活动范围不断扩大,越来越多的人特别是都市白领希望利用工作闲暇以好友聚会或结伴出游等方式释放工作压力。为满足人们日益增长的社交需求和丰富业余生活,移动互联技术与人们的生活联系越来越紧密,在互联网已经渗透到人们的日常生活、社交、教育、出行、医疗等各个方面的同时,越来越多的手机用户希望通过手机找到实用、高效、安全、方便的应用程序,实现节省时间、提高办事效率、缩减各类支出、解决生活难题等服务。     

内弹道测速雷达

引言 测定火炮弹丸在膛内的运动速度及各参数的变化规律,是内弹道实验的中心问题之一。目前虽然已有许多不同的方法,如电阻测量法、接触测量法,以及箔片测量法测量行程——时间函数等,但都存在着许多严重的缺点,特别是精度问题长期没有得到很好解决,从而影     

关于内素域

本文讨论有且只有一个真子域的特殊域——内素域的性质和判定,给出一个域是内素域的充分必要备件。     

内作用内余作用构造的各种Smash积

从研究由内作用、内余作用构造的各种Ｓｍａｓｈ积（包括Ｓｍａｓｈ余积，双Ｓｍａｓｈ积，ＤｏｕｂｌｅＳｍａｓｈ积，ＤｏｕｂｌｅＳｍａｓｈ余积）入手，阐明这些Ｓｍａｓｈ积具有良好的代数性质．     

邻硝基苯酚中内氢键和内锂键构成的理论研究

考虑了邻硝基苯酚中内氢键的存在，对其进行了量子化学计算，并探讨了它与锂代分子中的类氢键－内锂键之间的差异，从理论上探讨了锂键的存在与作用，对有机实验研究结果给予支持。     

局域模型中AB_2分子振动泛频能量弛豫的准经典轨线研究

用准经典轨线法研究了局域模型中ＡＢ_２分子振动泛频能量的内部重新分配，用彭加勒截面考察了其相空间结构，讨论了局域模振动出现的可能性．     

1-羟基-2-萘甲醛分子基态和激发态的质子转移机制

基于密度泛函与含时密度泛函理论方法,研究1-羟基-2-萘甲醛(HN12)分子及分子异构体在基态和激发态的氢键动力学过程.结果表明:在基态的HN12分子被激发至第一电子激发态后,出现氢键键长变短及氢键中羟基的红外光谱红移现象;激发态分子内的质子可发生转移反应;异构体在激发态时不易发生逆向的质子转移反应,但在基态较易出现逆向的质子转移过程.即HN12分子及分子异构体在基态和激发态存在一个循环机制.     

6-氯烟酰胺的异构化和质子迁移理论研究

在密度泛函理论B3LYP/6-31G(d)基组水平上,计算了气相中6-氯烟酰胺分子酮式和烯醇式质子迁移异构化过程的2种可能途径:分子内直接质子迁移和水分子辅助质子迁移.结果表明,在气相中只存在一种稳定构型,水分子的参与降低了质子迁移过程的活化能.     

Unidirectional rotation in a mechanically interlocked molecular rotor

Molecular motor proteins are ubiquitous in nature and have inspired attempts to create artificial machines that mimic their ability to produce controlled motion on the molecular level. A recent example of an artificial molecular rotor is a molecule undergoing a unidirectional 120 degrees intramolecular rotation around a single bond; another is a molecule capable of repetitive unimolecular rotation driven by multiple and successive isomerization of its central double bond. Here we show that sequential and unidirectional rotation can also be induced in mechanically interlocked assemblies comprised of one or two small rings moving around one larger ring. The small rings in these [2]- and [3]catenanes move in discrete steps between different binding sites located on the larger ring, with the movement driven by light, heat or chemical stimuli that change the relative affinity of the small rings for the different binding sites. We find that the small ring in the [2]catenane moves with high positional integrity but without control over its direction of motion, while the two rings in the [3]catenane mutually block each other's movement to ensure an overall stimuli-induced unidirectional motion around the larger ring.     

Mechanical twisting of a guest by a photoresponsive host

Molecular analogues of a variety of mechanical devices such as shuttles, brakes, unidirectional rotors and tweezers have been created. But these 'molecular machines' have not yet been used to mechanically manipulate a second molecule in a controlled and reversible manner. Here we show that light-induced scissor-like conformational changes of one molecule can give rise to mechanical twisting of a non-covalently bound guest molecule. To realize this coupling of molecular motions, we use a previously designed system: a ferrocene moiety with an azobenzene strap, each end of which is attached to one of the two cyclopentadienyl rings of the ferrocene unit, acts as a pivot so that photoisomerization of the strap rotates the ferrocene rings relative to each other and thereby also changes the relative position of two 'pedal' moieties attached to the ferrocene rings. We translate this effect into intermolecular coupling of motion by endowing the pedals with binding sites, which allow the host system to form a stable complex with a bidentate rotor molecule. Using circular dichroism spectroscopy, we show that the photoinduced conformational changes of the host are indeed transmitted and induce mechanical twisting of the rotor molecule. This design concept, which significantly extends the successful coupling of motion beyond the intramolecular level seen in synthetic allosteric receptors, might allow for the remote control of molecular events in larger interlocked molecular systems.     

Constraining the atmospheric N2O budget from intramolecular site preference in N2O isotopomers

Nitrous oxide (N2O) is an important trace gas in the atmosphere. It is an active greenhouse gas in the troposphere and it also controls ozone concentration in the stratosphere through nitric oxide production. One way to trace the geochemical cycle of N2O is by measuring the natural abundance of stable isotopes, namely 15N and 18O (refs 2-15). Here we report the intramolecular distribution of 15N within the linear NNO molecule, determined by measuring molecular and fragment ions of N2O on a modified mass spectrometer. This revealed a preference for 15N at the central N position, or alpha-site, within N2O isotopomers (isotope-containing molecules). Moreover, this preference varied significantly throughout the atmosphere. In the troposphere, low alpha-site preference indicates local emission of N2O from soils and fossil-fuel combustion, each with distinct isotopomer signatures, which then mixes with background N2O. In the stratosphere, on the other hand, loss of N2O is observed as enhanced alpha-site preference for 15N, due to fractionation during ultraviolet photolysis of N2O. We have constructed an atmospheric mass balance of N2O, incorporating isotopomer abundance, which shows that the intramolecular distribution of 15N is a parameter that has the potential to increase significantly the resolution with which sources and sinks of N2O can be identified and quantified in the atmosphere.     

水杨醛甘氨酸Schiff碱的从头算构象研究

运用从头算HF方法对水杨醛甘氨酸Schiff碱的构象进行了理论研究.结果表明,C=N键与苯环的共轭以及分子内弱相互作用是分子能量降低的2个重要结构因素.在各存在形态的所有最稳定构象中c=N键均与苯环共轭,均至少存在1条H14的弱氢键.酸式结构最稳定构象羧基上羟基氢H22背离大共轭平面;酸根形态的稳定构象羧基与苯环共面形成平面分子,且存在2条氢键;钾盐酚式最稳定构象羧基螯合成键,而醌式最稳定构象为平面分子,羧基单齿成键,且存在H14的2条弱氢键.由于具有很大的能量优势,水杨醛甘氨酸Schiff碱在水中的主要存在形态为酸式,该结论与其水溶液的实验研究结果一致.     

力场效应在聚丙烯腈分子热分解环化初期的作用

采用X-射线衍射、声速仪和红外光谱研究了聚丙烯腈(PAN)纤维在分子热分解—环化演变初期张力的作用,结果表明：在PAN纤维氰基热分解环化初期,张力可以增加纤维中分子聚集态结构的有序化程度;有利于PAN纤维构型的转变和完善原丝原有结构,随张力的增大,PAN纤维的全取向度和结晶度也是增加的;另外,张力可以促进PAN纤维分子的热分解环化反应,尤其是分子内的环化反应,当牵伸达到4%以后可以使微晶尺寸变小,这对提高纤维强度是有利的。     

Unidirectional rotary motion in a molecular system.

The conversion of energy into controlled motion plays an important role in both man-made devices and biological systems. The principles of operation of conventional motors are well established, but the molecular processes used by 'biological motors' such as muscle fibres, flagella and cilia to convert chemical energy into co-ordinated movement remain poorly understood. Although 'brownian ratchets' are known to permit thermally activated motion in one direction only, the concept of channelling random thermal energy into controlled motion has not yet been extended to the molecular level. Here we describe a molecule that uses chemical energy to activate and bias a thermally induced isomerization reaction, and thereby achieve unidirectional intramolecular rotary motion. The motion consists of a 120 degrees rotation around a single bond connecting a three-bladed subunit to the bulky remainder of the molecule, and unidirectional motion is achieved by reversibly introducing a tether between the two units to energetically favour one of the two possible rotation directions. Although our system does not achieve continuous and fast rotation, the design principles that we have used may prove relevant for a better understanding of biological and synthetic molecular motors producing unidirectional rotary motion.