增强现实技术在PDA上的应用

将增强现实技术与移动终端PDA相结合,在PDA上实现真实场景与虚拟增强信息的融合。系统采用基于Fourier_Mellin变换的2D图像匹配技术获取用户的视点参数,利用已标定的来自不同视点的图像作为参考图像库。采用客户/服务器构架减轻PDA的运算负担。研制的基于PDA移动终端的增强现实系统轻巧灵便,易于携带,通用性高,能够应用于户外场景。     

应用数码照相技术分析塞曼分裂图谱

讨论了现有塞曼效应实验成像方法的不足;介绍一种用普通数码照相机进行拍摄和计算机程序处理技术研究塞曼效应的方法.     

沿直线分布电荷体系电场线的解析解

通过求解电场线所满足的微分方程,得到了沿直线分布电荷体系电场线的严格解析解,根据所得电场线簇方程,讨论了各种沿直线分布电荷体系的电场线特点,并在计算机上利用Mathematica软件绘出了相应的电场线分布图.     

菲涅耳衍射的数值计算

利用Mathematica软件分别计算了单缝衍射及双缝衍射的光强分布,成功解决了菲涅耳衍射的计算这一较难问题,并得到了双缝衍射向杨氏双逢干涉过渡的具体条件,完成了实验室内难以完成的任务.     

Thermoresponsive Ionic Liquid/Water Mixtures: From Nanostructuring to Phase Separation

The thermodynamics, structures, and applications of thermoresponsive systems, consisting primarily of water solutions of organic salts, are reviewed. The focus is on organic salts of low melting temperatures, belonging to the ionic liquid (IL) family. The thermo-responsiveness is represented by a temperature driven transition between a homogeneous liquid state and a biphasic state, comprising an IL-rich phase and a solvent-rich phase, divided by a relatively sharp interface. Demixing occurs either with decreasing temperatures, developing from an upper critical solution temperature (UCST), or, less often, with increasing temperatures, arising from a lower critical solution temperature (LCST). In the former case, the enthalpy and entropy of mixing are both positive, and enthalpy prevails at low T. In the latter case, the enthalpy and entropy of mixing are both negative, and entropy drives the demixing with increasing T. Experiments and computer simulations highlight the contiguity of these phase separations with the nanoscale inhomogeneity (nanostructuring), displayed by several ILs and IL solutions. Current applications in extraction, separation, and catalysis are briefly reviewed. Moreover, future applications in forward osmosis desalination, low-enthalpy thermal storage, and water harvesting from the atmosphere are discussed in more detail.     

Computerprogramm zur interaktiven Auswertung von 15N-tracerkinetischen Stoffwechselexperimenten

The theoretical concept of the computer program is based on the compartment theory for the 3-pool model using single pulse administration of the tracer. The code estimates the model parameters by means of the non-linear method of least squares fit under steady state conditions. Furthermore the parameters of the protein metabolism are calculated. The program works interactively and allows reading and modifying the experimental ¹⁵N tracer data via terminal and controlling the program.     

Effect of Temperature on Henry's Constant in Simple Mixtures

Abstract

The molecular theory of dense fluids is progressing rapidly and its extension to mixtures is well underway. The purpose of this note is to call attention to a possibly serious difficulty in comparing experimental Henry's constants with those calculated from theory. The difficulty arises because whereas theorists choose temperature and density as independent variables, experimental equilibrium measurements on mixtures are often made along the saturation line where (at fixed composition) temperature and density are not both independent variables. Unless Henry's constants are defined with care, the effect of temperature on Henry's constants calculated from molecular theory may be qualitatively different from that observed.     

Use of Spectroscopic Representations in Student‐Generated Atomic Models

Abstract

The goal of this paper is to illustrate college students' levels of sophistication of their spectroscopic representations (SRs). For example, a photon is drawn as a wavy line, which might be used to enhance their atomic models (AMs). Study 1 was a quantitative study in which 70 students, enrolled in first semester general chemistry, drew or described their own model of the atom. Despite the fact that they had just completed a unit on atomic structure, only 30.6% of these students were classified as having a good understanding of the Bohr AM. Most of these students, 93.8%, incorporated SRs into their models. Conversely, only 41.2% of those who had a moderate AM understanding and only 5% of those with a poor AM understanding used SR in their AMs. Study 2 was a qualitative study in which 10 volunteers, enrolled in the same course but during a different semester, interacted with a multimedia instructional package and with a tutor. Interviews with two students were selected for in‐depth analyses. Each one enhanced their own AM by adding dynamic SR to their original AMs.     

How to acquire new biological activities in old compounds by computer prediction

Due to the directed way of testing chemical compounds' in drug research and development many projects fail because serious adverse effects and toxicity are discovered too late, and many existing prospective activities remain unstudied. Evaluation of the general biological potential of molecules is possible using a computer program PASS that predicts more than 780 pharmacological effects, mechanisms of action, mutagenicity, carcinogenicity, etc. on the basis of structural formulae of compounds, with average accuracy 85%. PASS applications to both databases of available samples included hundreds of thousands compounds, and small collections of compounds synthesized by separate medicinal chemists are described. It is shown that 880 compounds from Prestwick chemical library represent a very diverse pharmacological space. New activities can be found in existing compounds by prediction. Therefore, on this basis, the selection of compounds with required and without unwanted properties is possible. Even when PASS cannot predict very new activities, it may recognize some unwanted actions at the early stage of R&D, providing the medicinal chemist with the means to increase the efficiency of projects.