毛细管黏度计自动检定/校准系统的研制

利用自动控温系统、测温电桥、自动计时系统和计算机控制平台组成一种毛细管黏度计自动检定/校准系统,该系统具有自动吸液、自动计时以及数据自动处理功能,可用于标准黏度液定值和毛细管黏度计检定/校准。     

微机控制离子色谱仪自动操作与数据处理系统

用转换器和ＩＢＭＰＣ／ＸＴ微机与Ｄｉｏｎｅｘ２０２０ｉ型离子色谱仪连接组成自动控制与数据处理系统，转换器由８０３１及８２５５等芯片组成，其功能是采集数据和转送数据，软件由汇编及Ｃ语言编制。这套新系统增加了注入／记录同步，分级梯度淋洗，自动连续进样等功能以及很强的数据处理能力。     

Automatic function switching and its usefulness in peptide and protein analysis using direct infusion microspray quadrupole time-of-flight mass spectrometry

Automatic function switching has been investigated for high-throughput protein identification and sequencing of peptides using direct infusion of tryptic digests on a quadrupole time-of-flight instrument. The increase in speed and the high quality of data make it a favourable technique for tandem mass spectrometry when compared to manual selection of each precursor ion; these advantages are not restricted to combined LC/MS/MS analyses for which the automatic function-switching mode was originally developed. This mode was compared to analyses performed using a slow scan of the quadrupole analyzer with repeated recording of product ion spectra. For the specific purpose of generating product ion data for sequence determination (as opposed to surveying all precursors of a selected product ion), the automatic function-switching mode was, as expected, markedly superior with respect to speed of analysis and quality of data. Furthermore, the automatic function-switching mode provides greater versatility with respect to selection of optimal collision energies.     

Automatic extraction of relevant peaks and reconstruction of mass spectra for low signal-to-noise GC-MS data

A method for the automatic extraction of spectra from GC-MS data is described. The program localizes chromatographic peaks and provides a reconstructed spectrum of each compound. It is particularly designed for low-sampling conditions frequently encountered with efficient GC columns, requiring threshold methods rather than methods based on peak shape; automatic threshold adjustments on the mass chromatograms are thus performed at different stages of the process. A test of the program on two sets of experimental data revealed better performances than manual data treatment, particularly in the case of low signal-to-noise ratios.     

自动电位滴定法分析液体推进剂单推三的研究

设计自动电位滴定仪分析单推三的应用程序。主要解决了程序设计中滴定终点判定等参数设置、数据处理以及数值传递等技术难点,与Q／Sdll—92标准容量法分析结果进行比较,两种方法的测定结果无显著性差异,自动电位滴定法分析单推三具有速度快、准确度高、可靠性好等优点,可替代容量法。     

IMAGE ANALYZER USED FOR DATA ACQUISITION IN PHOTOTROPISM STUDIES

Abstract— Equipment (video system and goniometric device) developed for the automatic acquisition of data, which can generally be used for testing movement responses of small organisms is presented. This relatively cheap setup, especially designed for kinetic testing of phycomyces phototropism, could also be used with very slight modifications to study phototropism in higher plants and even for other purposes in the study of cell and organism movements. It permits continuous automatic observation of bending angle as a function of time. The goniometric device permits a complete geometrical localization of the object to be analyzed, even time-dependent if needed. The video-system hardware consists of a CCD-video camera (with a sensitivity maximum between 700 and 800 nm), light source (equipped with an IR-filter), video monitor, video card (for image digitalization), video recorder, computer and computer interface. The last assures (through a parallel port of the computer) complete control of the setup; time coordination between computer, lamp, camera and video recorder is thus ensured. Both real time processing and analysis of previously recorded data can be performed. The system permits automatic observation of experiments over long time periods and provides a large amount of data assuring good statistics, which can be analysed quickly.     

基于机器人制样和激光诱导击穿光谱分析技术的选煤厂检测系统无人化

目前选煤厂煤质检测过程自动化程度低,采样与制样技术需要大量的人工参与。检测技术的落后直接影响数据的准确性从而对整个选煤厂生产过程控制与产品质量控制产生重要影响,直接关系选煤厂的经济效益。面对产业升级的需要,将先进的自动采制样技术引进煤炭生产经营企业是当务之急。机器人采制样系统包含:机械化采样与初制样技术、机器人精细化制样技术、煤炭快速检测技术、自动快速浮沉技术,为选煤厂提供了一种全自动采制检的新技术方案。     

Zur Steuerung eines Eisenhüttenlaboratoriums durch Digitalrechner

A combination of instrumental systems for issuing measured data with a digital computer for automatic on-line data processing is described. The functions of the computer comprise data conversion, calibration checking of the instruments and recording of the results. Operation of the calibration checking and efficiency of the system are discussed.     

Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system

The basic formal and numerical aspects of different degree interpolated moving least-squares (IMLS) methods are applied to a six-dimensional potential energy surface (PES) of the HOOH molecule, for which an analytic ("exact") potential is available in the literature. The results of systematic investigations of the effects of weight function parameters, the degree and partial degree of IMLS, the number of data points allowed, and the optimal automatic point selection of data points up to full third-degree IMLS fits are reported. With partial reduction of cross terms and automatic point selection the full six-dimensional HOOH PES can be fit over a range of 100 kcal/mol to an accuracy of less than 1 kcal/mol with approximately 1350 ab initio points.     

Microcomputer-controlled automatic titrator with analysis of results by means of spline functions

A method of controlling an automatic titrator by means of a microcomputer is described. Experimental titration data have been analysed by the use of approximative or rational spline functions.     

Nondestructive determination of trace impurities in iron by thermal neutron activation analysis with long-lived isotopes

A method is proposed for the instrumental determination of Co, Cu, W, As, Ga and Sb in a pure iron matrix. Semiconductor detectors with high resolving power, automatic data collection and completely computerized data interpretation have been used. A method of preparing and testing composite multi-element standards is described in detail.     

Fully automatic assignment of small molecules' NMR spectra without relying on chemical shift predictions

We present a method for the automatic assignment of small molecules' NMR spectra. The method includes an automatic and novel self‐consistent peak‐picking routine that validates NMR peaks in each spectrum against peaks in the same or other spectra that are due to the same resonances. The auto‐assignment routine used is based on branch‐and‐bound optimization and relies predominantly on integration and correlation data; chemical shift information may be included when available to fasten the search and shorten the list of viable assignments, but in most cases tested, it is not required in order to find the correct assignment. This automatic assignment method is implemented as a web‐based tool that runs without any user input other than the acquired spectra. Copyright © 2015 John Wiley & Sons, Ltd.     

On-Line Monitoring of MWD in a Batch Polymerization Reactor by Size Exclusion Chromatography

Abstract

A novel highly automated SEC system has been developed for online measurement of MWD in a batch solution polymerization reactor. The system includes a liquid exclusion chromatograph, an automatic sampling system, a programmable microprocessor based sequence timer and a process computer. Two main real-time computer programs have been developed to supervise the automatic collection (SEC-Data Acquisition Program) and interprepation (SEC-Data Interprepation Program) of SEC data. Experimental results show that the new system can provide reliable on-line measurements of number average and weight average molecular weights of a sample during the course of polymerization.     

磁性测量系统(MPMS-XL)的原理及其应用

采用美国Quantum Design公司生产的综合物性测量系统振动样品磁强计（VSM）测量组件进行磁测量时,由于测试样品的原因,经常会出现MultiVU系统自动反馈位置参数不正确的情况. 通过对其自动反馈的过程进行分析,发现确定的非最佳位置获得的样品反馈磁信号和最佳位置的真实值存在对应的百分比值. 利用高场下强磁信号容易找到位置参数的特性,举例说明不用增加背景磁场,对自动反馈位置参数不正确的样品进行正常测试并推算百分比值,再利用该百分比值进行数据修正的方法. 方法确保测试数据的可靠性,减少不必要的时间浪费,可以提高测试效率.     

Computerized dynamic voltammetric detection in high-performance liquid chromatography : Part 1. On-line Cyclic Voltammetry of the Antineoplastic Agents Etoposide and Teniposide

An automatic, reliable, dynamic oxidative electrochemical detection system is described for on-line determination of electro-active compounds in effluents from high-performance liquid chromatographic systems. Detection can be done at constant potential or by using potential scans. The system consists of easily obtainable commercial hardware, combined with commonly available chromatographic apparatus. Special attention is given to automatic component detection, data storage in a Ram disk, noise filtering, automatic half-wave potential calculation and a high-resolution paper copy of the voltammograms. The system is tested for Etoposide (VP 16-213) and Teniposide (VM 26).     

HDXFinder: automated analysis and data reporting of deuterium/hydrogen exchange mass spectrometry

Hydrogen/deuterium exchange in combination with mass spectrometry (H/D MS) is a sensitive technique for detection of changes in protein conformation and dynamics. However, wide application of H/D MS has been hindered, in part, by the lack of computational tools necessary for efficient analysis of the large data sets associated with this technique. We report a novel web-based application for automatic analysis of H/D MS experimental data. This application relies on the high resolution of mass spectrometers to extract all isotopic envelopes before correlating these envelopes with individual peptides. Although a fully automatic analysis is possible, a variety of graphical tools are included to aid in the verification of correlations and rankings of the isotopic peptide envelopes. As a demonstration, the rate constants for H/D exchange of peptides from rabbit muscle pyruvate kinase are mapped onto the structure of this protein.     

Feature based fuzzy matching of 2D gel electrophoresis images

Automatic alignment (matching) of two-dimensional gel electrophoresis images is of primary interest in the evolving field of proteomics. In the present study, feature-based matching techniques, in their classical and robust versions, are described, and an automatic method of fuzzy alignment (FA) is introduced. This method allows automatic matching of two gel images with different numbers of features with unknown correspondence. Performance of FA is tested on simulated and real data sets.     

Rapid automatic potentiometric method for analytical control in the manufacture of extraction phosphoric acid

A rapid automatic method for determination of free sulphuric acid in the manufacture of extraction phosphoric acid from apatite has been developed. It is based on potentiometric titration combined with the Gran approach for linearization of the titration curve. The analysis is done with an automatic potentiometric titrator controlled by an HP-85 microcomputer. BASIC software activates the system to perform the data acquisition and calculations, and the whole operation takes only 7-8 min.