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(1) MIT: New insights on fusion power

David Chandler, MIT News Office
December 3, 2008

Research carried out at MIT's Alcator C-Mod fusion reactor may have brought the promise of fusion as a future power source a bit closer to reality, though scientists caution that a practical fusion powerplant is still decades away.

Adapted from - http://web.mit.edu/newsoffice/2008/fusion-results-tt1203.html


(2)Disappearing superconductivity reappears -- in 2-D

Scientists studying a material that appeared to lose its ability to carry current with no resistance say new measurements reveal that the material is indeed a superconductor -- but only in two dimensions. Equally surprising, this new form of 2-D superconductivity emerges at a higher temperature than ordinary 3-D superconductivity in other compositions of the same material.

Adapted from - http://www.bnl.gov/bnlweb/pubaf/pr/PR_display.asp?prID=865

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October 30, 2008

Open Babel: The Open Source Chemistry Toolbox

Open Babel: The Open Source Chemistry Toolbox

Chemistry online Resources

Link - http://openbabel.sourceforge.net/wiki/Main_Page

"Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

* Ready-to-use programs, and complete programmer's toolkit
* Read, write and convert over 90 chemical file formats
* Filter and search molecular files using SMARTS and other methods
* Supports molecular modeling, cheminformatics, bioinformatics
* Organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry"[1]
1. http://openbabel.org/wiki/Main_Page

Analytical Inorganic Organic Physical

Online SMILES Translator and Structure File Generator

Online SMILES Translator and Structure File Generator

Chemistry online Resources

Link - http://cactus.nci.nih.gov/services/translate/

Analytical Inorganic Organic Physical

Molinspiration Cheminformatic

Molinspiration Cheminformatic

Chemistry online Resources

Link - http://www.molinspiration.com/

"Molinspiration Galaxy 3D Structure Generator Galaxy generates reliable 3D molecular structures from molecular connectivity (2D information) such Daylight SMILES or MDL Molfile. Galaxy is fast, what allows generation of 3D molecular structures for large chemical databases easily. It is written in Java, therefore can be used practically on any computer or operating system. Galaxy comes with a built-in 3D molecule viewer GalaxyVisualizer which allows also generation of molecular images in various formats.
Molinspiration offers a free web service which allows generation of 3D structures, display of various 3D molecular properties (molecular hydrophobicity potential or polar surface area) and download of generated 3D geometries"[1].
1.http://www.molinspiration.com/

Analytical Inorganic Organic Physical

Linux For Chemistry

Linux For Chemistry - More than 200 freewares

Chemistry online Resources

Link - http://www.redbrick.dcu.ie/~noel/linux4chemistry/

The most up-to-date Linux software (over 250) for chemistry including molecular modeling, graphics, visualization, molecular and quantum mechanic, dynamic, computational chemistry and some drug discovery, biochemistry and genetics related software.more than 200 software are free.

Analytical Inorganic Organic Physical

Jmol - open-source Java viewer

Jmol - open-source Java viewer

Chemistry online Resources

Link - http://jmol.sourceforge.net

"Jmol is a free, open source molecule viewer for students, educators, and researchers in chemistry and biochemistry. It is cross-platform, running on Windows, Mac OS X, and Linux/Unix systems.

* The JmolApplet is a web browser applet that can be integrated into web pages.
* The Jmol application is a standalone Java application that runs on the desktop.
* The JmolViewer is a development tool kit that can be integrated into other Java applications"[1].
1.http://jmol.sourceforge.net/

Analytical Inorganic Organic Physical

Hyleos: Free Chemistry Software

Hyleos: Free Chemistry Software

Chemistry online Resources

Link - http://www.hyleos.net/index.php

Free Windows software for working with MDL SDF files and molfiles. Includes descriptors calculation like TPSA, molecular weight, HBd and HBa.

Analytical Inorganic Organic Physical

CambridgeSoft

CambridgeSoft

Chemistry online Resources

Link - http://www.cambridgesoft.com/

"Success begins at the desktop, where scientists use ChemDraw, ChemOffice, and BioOffice to pursue ideas and communicate with the natural language of chemical structures, biological pathways, and models.

Scientists organize information and manage data with E-Notebook and Inventory. Chem3D provides modeling, ChemFinder aids searching, while BioOffice adds BioAssay, BioViz and BioDraw. Integrated with Microsoft Office to speed research tasks"[1].
http://www.cambridgesoft.com/software/



Analytical Inorganic Organic Physical

October 29, 2008

The RCSB Protein Data Bank

The RCSB Protein Data Bank - Biochemistry

Chemistry online Resources

Link - http://www.pdb.org/pdb/Welcome.do

"The RCSB PDB provides a variety of tools and resources for studying the structures of biological macromolecules and their relationships to sequence, function, and disease.

The RCSB is a member of the wwPDB whose mission is to ensure that the PDB archive remains an international resource with uniform data.

This site offers tools for browsing, searching, and reporting that utilize the data resulting from ongoing efforts to create a more consistent and comprehensive archive"[1].
1. http://www.pdb.org/pdb/home/home.do;jsessionid=A79BD873762515FA18556C427311F63F

Analytical Inorganic Organic Physical

Nucleic Acid Database

Nucleic Acid Database - Biochemistry

Chemistry online Resources



Repository of three-dimensional structural information about nucleic acids. The goal of the Nucleic Acid Database Project (NDB) is to assemble and distribute structural information about nucleic acids.
Analytical Inorganic Organic Physical

Metabolic Pathways of Biochemistry

Metabolic Pathways of Biochemistry - Biochemistry

Chemistry online Resources


Link - http://www.gwu.edu/~mpb/

"Metabolic Pathways of Biochemistry, the online reference of metabolism for students, scientists, and the world. This site is designed to graphically represent all major metabolic pathways, primarily those important to human biochemistry"[1].
1. http://www.gwu.edu/~mpb/


Analytical Inorganic Organic Physical

Medical Biochemistry Page

Medical Biochemistry Page - Biochemistry

Chemistry online Resources


Includes teaching tool for medical biochemistry and links for other biochemical resources.

Analytical Inorganic Organic Physical

October 28, 2008

Chemicals for R&D

Chemicals for R&D
Chemistry online Resources

Link - http://www.rdchemicals.com

"R&D Chemicals is a common and freely accessible chemicals catalog and directory of suppliers of products and services for research and development over the internet.

One of the biggest problems of traditional search engines like Google, Yahoo, AltaVista is that simple keyword-based queries often return vast amount of irrelevant information. Most of scientists’ time is inefficiently used in sieving of irrelevant information from the search engines. Also traditional search engines cannot search chemical compounds by structure and substructure. In this context, R&D Chemicals, a web site designed for the specific requirements of researchers and scientists, was created.

We hope to make contribution to development of the Internet for chemists especially working in the field of drug discovery in the pharmaceutical and biotechnological industry.

The goal of this project is to create a common and freely accessible database of chemicals and directory of companies providing products and services that support drug discovery in the pharmaceutical and biotechnological industry.

We are sorry for the advertisements everywhere, and we know they are annoying. We never wanted to keep advertisements on this website. But it will help make the site better in the long run.

If you would like to link to R&D Chemicals from your website, copy the following HTML code and paste it onto your site. We greatly appreciate every link provided to our pages.

The R&D Chemicals is a database of chemical compounds accessible over Internet. Its search engine allows you to find a chemical by its molecular formula, IUPAC name, common name, CAS number, catalog number, structure or substructure[1].
1.http://www.rdchemicals.com/about.html

Analytical Inorganic Organic Physical

Chemical Structure Lookup Service 2008

Chemical Structure Lookup Service
Chemistry online Resources

Link - http://cactus.nci.nih.gov/lookup/


"Release 09/2008: search in 57 million indexed structures from over 100 databases (40 million unique structures) "[1].
1.http://cactus.nci.nih.gov/cgi-bin/lookup/search

Analytical Inorganic Organic Physical

October 27, 2008

MolBase - Inorganic Chemistry

MolBase - Inorganic Chemistry

Chemistry online Resources


Link - http://winter.group.shef.ac.uk/molbase/

"It's a database of inorganic molecules (or perhaps environments within molecules) contributed by students. The beauty is that it calculates quite a few of the key properties of a contributed structure. This allows various aggregated statistical charts to be displayed of coordination numbers, oxidation states, MXLZ classifications, and so on."[1]
1.http://winter.staff.shef.ac.uk/



Analytical Inorganic Organic Physical

Organic Chemistry Portal - Organic Chemistry

Organic Chemistry Portal - Organic Chemistry

Chemistry online Resources

Link - http://www.organic-chemistry.org/

"The Organic Chemistry Portal offers an overview of recent topics, interesting reactions, and information on the most important chemicals."[1]
1.http://www.organic-chemistry.org/


Analytical Inorganic Organic Physical

The Handbook of Analytical Methods - Analytical Chemistry

The Handbook of Analytical Methods - Analytical Chemistry

Chemistry online Resources

"The Handbook of Analytical Methods for Materials (HAMM) is a brief tutorial on techniques for materials characterization. The HAMM is intended to provide our visitors with enough information on a technique to determine whether it has the potential to help solve a materials problem. We hope that this information can be used by our customers and other visitors to this site to formulate plans for evaluation of problems under investigation and to better understand data that they may obtain.

This handbook is also available in a downloadable Adbobe PDF format. The PDF version has additional content not included in the HTML version"[1]

1.http://www.mee-inc.com/ham.html

Analytical Inorganic Organic Physical

ChEBI - Chemical Databases


ChEBI - Chemical Databases

Chemistry online Resources

Link - http://www.ebi.ac.uk/chebi/

"Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds. The term ‘molecular entity’ refers to any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a separately distinguishable entity. The molecular entities in question are either products of nature or synthetic products used to intervene in the processes of living organisms.

ChEBI encompasses an ontological classification, whereby the relationships between molecular entities or classes of entities and their parents and/or children are specified.

ChEBI uses nomenclature, symbolism and terminology endorsed by the following international scientific bodies:" [1]

1.http://www.ebi.ac.uk/chebi/

Analytical Inorganic Organic Physical

Inorganic Syntheses - Inorganic Chemistry

Inorganic Syntheses - Inorganic Chemistry

Chemistry online Resources

Link - http://www.inorgsynth.com

"The Inorganic Syntheses series is published to provide all users of inorganic substances with detailed and foolproof procedures for the preparation of important and timely compounds."[1]
1.http://www.inorgsynth.com/

Chemistry online Resources

Analytical Inorganic Organic Physical

MolData - Organic Chemistry

MolData - Organic Chemistry

Chemistry online Resources

Link - http://pages.pomona.edu/~wsteinmetz/OrgChem.htm

"Another database service from the home of QSAR. MolData is an annotated bibliography with links to sources of chemical data on the World Wide Web"[1]. The given link for the organic chemistry .



Analytical Inorganic Organic Physical

Analytical Chemistry Basics - Analytical Chemistry

Analytical Chemistry Basics - Analytical Chemistry

Chemistry online Resources

Link - http://elchem.kaist.ac.kr/vt/chem-ed/analytic/ac-basic.htm

"The goal of this on-line course is to provide the user with an introduction to some of the fundamental concepts and methods of analytical chemistry. The topics are arranged in the order in which they are typically presented in an undergraduate analytical chemistry course. Many of the reference documents that you will read contain links to remedial material and related topics. Use the remedial links when needed but skip the related topics since you will get to most of them eventually in the course. After reading a reference document, return to this page with the back arrow"[1].

1.http://elchem.kaist.ac.kr/vt/chem-ed/analytic/ac-basic.htm



Analytical Inorganic Organic Physical

BioChemWeb - Biochemistry

BioChemWeb - Biochemistry

Chemistry online Resources

Link - http://www.biochemweb.org

The Virtual Library of Biochemistry, Moleculer Biology and Cell Biology is a guide to major online resources in biochemistry, molecular and cell biology and related fields, indexed by subject with annotated links.


Analytical Inorganic Organic Physical

Biomolecule Binding Database - Chemical Databases


Biomolecule Binding Database - Chemical Databases

Chemistry online Resources

Link - http://www.bindingdb.org/bind/index.jsp

"BindingDB is a public, web-accessible database of measured binding affinities, focusing chiefly on the interactions of protein considered to be drug-targets with small, drug-like molecules"[1].
1.http://www.bindingdb.org/bind/index.jsp

Analytical Inorganic Organic Physical

October 26, 2008

CACTVS Chemoinformatics Toolkit - free academic versions

CACTVS Chemoinformatics Toolkit - free academic versions

Chemistry Freeware


"This page links to free academic versions of the Cactvs Chemoinformatics Toolkit. The packages found here are for evaluation and use in research and education only. They are not legal for use in any commercial environment. No redistribution in any format, but feel of course free to link to this page.

Commercial toolkit versions with enhanced functionality are available for licensing.

Not all releases are updated with the same frequency"[1].
1.http://www.xemistry.com/academic

Analytical Inorganic Organic Physical

Inorganic Structure Database - Inorganic Chemistry

Inorganic Structure Database - Inorganic Chemistry

Chemistry online Resources

Link - http://www.wsu.edu/~wherland/wwwlist03.htm

"The following structures are viewed (line, ball and stick, space filling and labeled) and measured (bond lengths, bond angles, dihedral angles) through a browser (including Internet Explorer or Netscape) using MDL Chime 2 or a version of RasMol . Both are available for free, and your browser can be configured to automatically use either when the files are selected. Many commercial packages can also be used to view the molecules that are stored as ascii files in the MDL “mol” data format. Chem 3D (from CambridgeSoft) is especially convenient because it can display all bond lengths or all bond angles with a single command.

The structures are generally arranged alphabetically by the central atom, and some abbreviations are used (Ph for phenyl, Bu for butyl, cp for cyclopentadienide, etc.).

Note that these are structures as reported in the literature and thus not idealized. The literature references and the method used to determine the structure for all structures are available as an Acrobat PDF file. The structures were extracted from The Cambridge Structural Database or taken directly from the literature. The placement and number of double bonds does not necessarily reflect the best Lewis structure, and in some cases double bonds are not shown at all"[1].

1.http://www.wsu.edu/~wherland/wwwlist03.htm



Analytical Inorganic Organic Physical

NIST Chemistry WebBook - Physical Chemistry

NIST Chemistry WebBook - Physical Chemistry

Chemistry online Resources

Link - http://webbook.nist.gov

"The NIST Chemistry WebBook provides access to data compiled and distributed by NIST under the Standard Reference Data Program.

The NIST Chemistry WebBook contains:

  • Thermochemical data for over 7000 organic and small inorganic compounds:
    • Enthalpy of formation
    • Enthalpy of combustion
    • Heat capacity
    • Entropy
    • Phase transition enthalpies and temperatures
    • Vapor pressure
  • Reaction thermochemistry data for over 8000 reactions.
    • Enthalpy of reaction
    • Free energy of reaction
  • IR spectra for over 16,000 compounds.
  • Mass spectra for over 15,000 compounds.
  • UV/Vis spectra for over 1600 compounds.
  • Gas chromatography data for over 27,000 compounds.
  • Electronic and vibrational spectra for over 5000 compounds.
  • Constants of diatomic molecules (spectroscopic data) for over 600 compounds.
  • Ion energetics data for over 16,000 compounds:
    • Ionization energy
    • Appearance energy
    • Electron affinity
    • Proton affinity
    • Gas basicity
    • Cluster ion binding energies
  • Thermophysical property data for 74 fluids:
    • Density, specific volume
    • Heat capacity at constant pressure (Cp)
    • Heat capacity at constant volume (Cv)
    • Enthalpy
    • Internal energy
    • Entropy
    • Viscosity
    • Thermal conductivity
    • Joule-Thomson coefficient
    • Surface tension (saturation curve only)
    • Sound speed"[1]
    1.http://webbook.nist.gov/

Analytical Inorganic Organic Physical

IUPAC Nomenclature - Organic Chemistry

IUPAC Nomenclature - Organic Chemistry

Chemistry online Resources

Link - http://www.acdlabs.com/iupac/nomenclature/

The HTML reproduction of the IUPAC Nomenclature of Organic Chemistry.


Analytical Inorganic Organic Physical

ACD/ChemSketch 11.0 Freeware - Chemistry Freeware


Chemistry Freeware

ACD/ChemSketch 11.0 Freeware



"Visualize a chemically intelligent drawing interface that provides a portal to an entire range of analytical tools, and facilitates the transformation of structural or analytical data into professional, easy-to-decipher reports or presentations.

Advanced Chemistry Development, Inc., (ACD/Labs) has developed such an interface, and has integrated it with every desktop software module they produce. To date, over 800,000 chemists have incorporated ACD/Labs' chemical drawing and graphics package, ACD/ChemSketch, into their daily routines. Academic institutions worldwide have adopted this software as an interactive teaching tool to simplify and convey chemistry concepts to their students, and publishing bodies such as Thieme, the publisher of Science of Synthesis, consider it to be "...supportive of the organic chemistry publisher's role, both in the construction of compounds and their basic analysis."

ACD/ChemSketch is an advanced chemical drawing tool and is the accepted interface for the industry's best NMR and molecular property predictions, nomenclature, and analytical data handling software.

ACD/ChemSketch is also available as freeware, with functionalities that are highly competitive with other popular commercial software packages. The freeware contains tools for 2D structure cleaning, 3D optimization and viewing, InChI generation and conversion, drawing of polymers, organometallics, and Markush structures—capabilities that are not even included in some of the commercial packages from other software producers. Also included is an IUPAC systematic naming capability for molecules with fewer than 50 atoms and 3 rings. The capabilities of ACD/ChemSketch can be further extended and customized by programming.

The commercial version of ACD/ChemSketch offers additional capabilities above and beyond the freeware offering. It includes a number of advanced features including a dictionary of more than 158,000 trivial, common, and trade names with their corresponding structures. It allows the user to view SDfiles, and search Microsoft Word or Adobe PDF reports, SDfiles, molfiles, and CambridgeSoft ChemDraw files by chemical structure, substructure, or structure similarity.."*

* Ref - http://www.acdlabs.com/products/chem_dsn_lab/chemsketch/


Download Page - http://www.freechemsketch.com/


Note: ChemSketch 11.0 freeware is not compatible with other versions of free and commercial ACD/Labs software and should be installed separately.

Analytical Inorganic Organic Physical

American Organization of Analytical Chemists - Analytical Chemistry

Analytical Chemistry

Chemistry online Resources

American Organization of Analytical Chemists International

Link - http://www.aoac.org/

AOAC INTERNATIONAL is a 120 year-old not-for-profit scientific association committed to worldwide confidence in analytical results. In fact, "worldwide confidence in analytical results" is AOAC's vision. An AOAC community is a group of analytical scientists in a specific area who share AOAC's vision of worldwide confidence in analytical results and who are brought together by a leader or "champion" to do together what they cannot do alone. Representatives of a community include scientific experts from various government agencies, industry, trade associations, international organizations, and academia.



Analytical Inorganic Organic Physical



Free Chemistry Hand Books

Hand Books

This site provides thermochemical, thermophysical, and ion energetics data compiled by NIST under the Standard Reference Data Program.


Learn Chemistry Online - Free online courses