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Physical Chemistry

Digital Briefs


by Janet Dodd
November 29, 2004 | A version of this story appeared in Volume 82, Issue 48


RTKV2 HazCom chemical labeling system radically simplifies compliance with OSHA's Hazard Communication Standard (HCS) regulations. It offers custom, compliant, instant labeling with an aut omated way to link and update the material safety data sheets (MSDS). The software has online access to 160,000 MSDS records that are downloadable for 24-hour access and continually updated by the chemical manufacturers to ensure accuracy and compliance. It can extract the most relevant information--such as first aid, personal protective equipment, spill containment, and reactivity with other chemicals--in one-page, quick reference sheets for employees. The software is compatible with Windows. MaxiSoft,

DIPPR/EHS for Windows 18.10 is an electronic handbook that provides instant access to accurate physical properties and to safety and environmental information. Data on 1,793 industrial chemicals are now available. The program capabilities enable access to 29 physical constants, 15 temperature-dependent properties, and environmental and health data from EPA, including toxicity endpoints, air quality data, carcinogenicity rankings, and regulatory status. Thermodynamic, transport, and safety data are available with full references, notes, and quality codes. Searching by chemical names, synonyms, chemical class, and fixed properties is possible. Researchers can output customized tables and graphical plots to Excel or to a word processor. This program can be installed on a single PC or over a corporate network or intranet. Technical Database Services,

ActivityBase 5.3 integrates chemical and biological data and manages drug discovery data. The software allows chemists to register, search, and display complete chemical information alongside the associated biological and analytical data. Chemists can view a table of the biological information for their compounds from their chemistry database in a familiar, searchable form. Researchers can design customized compound forms including only the fields that are relevant to them. Commonly used fields can be saved as registration defaults. Query lists can be navigated using the up and down arrow keys. IDBS,

Teranode Design Suite 2 enables lab professionals to graphically design and automate protocols for any lab procedure, from chemical synthesis to high-throughput screening and sample processing. Protocol Modeler allows individuals or teams to visually design and continually refine laboratory processes, annotate and document experiments, integrate physical and computational tasks, and effectively communicate experiments and findings. The software is available for Windows and RedHat Linux. Teranode,

Bio-Plex Manager 4.0 for the Bio-Rad multiplex suspension array system enables compliance with 21 CFR Part 11 regulations for electronic records. The software provides system control, system validation, calibration, data acquisition, and data reduction for xMAP assays. It accommodates six user groups with different levels of access to the system and to records. Access controls and authority checks are protected by identification codes and passwords. The security environment can be turned on and off. Bio-Rad,


MDL Patent Chemistry Database is a structure-searchable collection of patent chemistry information designed for research scientists and information professionals. Researchers can rapidly explore world, U.S., and European patents dating from 1976 using structure, reaction, and text searches. The database contains 1.5 million structure-searchable chemical reactions; more than 1.6 million organic, inorganic, and organometallic compounds; and associated information from approximately 340,000 organic chemistry and life science patents. The database is available via the MDL CrossFire Direct system or for in-house installation. Elsevier MDL,


The Visionlearning project is a freely accessible site sponsored by the National Science Foundation to promote interdisciplinary teaching and learning. It was designed for students, teachers, parents, or anyone interested in learning science. The site offers a library of interdisciplinary, bilingual teaching modules that can be customized by instructors and used in an online teaching environment available on the site.

SpecInfo provides more than 434,000 spectra in three specialized fields: infrared, nuclear magnetic resonance, and mass spectrometry. All the data included in SpecInfo are curated--that is, databases are quality controlled at the point of data preparation and are obtained from reputable laboratories and peer-reviewed literature. Users can search by structure, substructure, complete spectra, individual spectral features, chemical names, and molecular properties. Wiley InterScience,

Al's Notebook is a collection of common synthetic experimental procedures organized on the basis of functional group manipulation. Users can click on 14 different categories to see a list of reactions in each category. Clicking on a specific reaction opens a page that presents the reaction scheme, data about the reactants, a description of the procedure, and notes.

Digital Briefs is written by Janet Dodd, who can be reached at



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