NMRShiftDB is an open-access, open-submission, open-source NMR database. It allows searching for spectra, structures and substructures, chemical shifts, chemical names and formulas, measurement conditions, and keywords. The database contains about 5,300 structures and about 6,000 assigned spectra. Currently, only 13C, 1H, and 14N NMR shift data can be stored, but the architecture of the software allows for future extension to other nuclei. http://www.nmrshiftdb.org

The Occupational Toxicants and MAK Values database contains current threshold values for occupational toxicants in the form of MAK and BAT values (maximum concentrations at the workplace and biological tolerance values, respectively) and provides access to toxicological evaluation documents that substantiate the threshold values. The database can be searched according to keyword, substance name, classification, or CAS number. Links to associated documents are given. In addition, the database offers a classification of substances according to their carcinogenic, germ-cell mutagenic, sensitizing, or skin-resorptive effects, as well as toxicity to the reproductive system. Nearly 900 substances frequently encountered in a work environment are characterized. Wiley InterScience, http://www.mrw.interscience.wiley.com/makbat

The Material Data and Applications Center database gives full property data access to more than 8,000 active grades, representing 80%, of global plastic products. Users can search by industry segment and polymer type to view photos and data sheets from material applications. Also, users can conduct product comparisons by customized tables or overlaid multipoint graphs. Omnexus, http://www.omnexus.com/materialdatacenter

Online

Chemistry Web Publishing is a tutorial about displaying molecules on websites using animated GIF, Java, virtual reality modeling language (VRML), and Chime. Each section has examples of what can be done with each language and how to obtain the tools needed. http://www.claessen.net/test/pub.php

Georgia Tech Research News presents the latest developments from the Georgia Institute of Technology's research programs in chemistry, physics, the environment, nanotechnology, and many other areas of science. Recent stories covered new technology for groundwater clean-up, optically reconfigurable microarrays, oxides for small-scale hydrogen production, and microneedle arrays for delivering drugs and vaccines through the skin. http://gtresearchnews.gatech.edu

SHORT COURSE ON CD

Polymer Alloys and Blends is a comprehensive short course with more than 10 hours of lectures and 310 slides. This CD presents a review of state-of-art knowledge in theories, principles, and practices related to polymer alloys and blends. Commercial blends and alloys are used to illustrate the application of the principles covered. The course's primary emphasis is on the application of fundamentals to real-world problems. http://dtwassociates.com


SOFTWARE FOR INDUSTRY

Simimica CTL is a dynamic process simulator for steady-state and time-variable simulation of chemical and mineral processes. Using a graphical interface, the software creates a process flow sheet in a block-and-line format. The user enters numerical data, and the program automatically calculates a steady-state or dynamic (time-varying) material balance. The calculation results, consisting of component and stream-flow rates for each time increment, can then be viewed, printed, and downloaded. Steady-state output is available in tabular format. Dynamic output is displayed in time-varying plotted format and is also available in tabular format. The package includes more than 20 example problems demonstrating steady-state simulation, time-varying simulation, control-loop analysis, transfer-function solution, chemical process control, and electrical and mechanical system analysis. Applied e-Simulators, http://www.aesim.com/

HSC Chemistry 5.0 software, which was designed to analyze chemical reactions and equilibria in process chemistry, contains new and upgraded calculation modules, increased Excel functions, new graphics facilities, and an enhanced database. The software consists of 14 calculation modules, displayed as options in the main HSC menu; examples are Reaction Equations, Heat and Material Balances, Equilibrium Compositions, Electrochemical Cell Equilibria, Formula Weights, and Phase Stability diagrams. HSC is compatible with Windows. Outokumpu Research, http://www.outokumpu.com

Envisage is a Web-based environmental performance management solution that allows users to dynamically monitor, analyze, respond to, and report on emissions status in real time. It provides a cost-effective way to meet compliance obligations by connecting to emissions data from plant sources and automatically performing the required regulatory calculations. Envisage comes with a set of standard reports addressing local, state, and federal record-keeping and reporting requirements. It can be used in association with combustion devices, air pollution control devices, and wastewater systems. Pavilion, http://www.pavtech.com

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