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Topic: Chemical structure


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In the News (Wed 19 Jun 19)

  
  The PubChem Project
Structures from Ambinter are now available in PubChem.
Structure Search: Search PubChem's Compound database using a chemical structure as the query.
Structures may be sketched or specified by SMILES, MOL files, or other formats.
pubchem.ncbi.nlm.nih.gov   (248 words)

  
 Hyperactive Molecules Using Chemical MIME
Do not proceed futher until you have read this section at least once.
Molecular coordinates and other types of chemical information are stored in a large number of formats, and originate from sources such as several crystallographic databases, nmr and other spectroscopic techniques, quantum chemistry calculations (see here for the first video animations for a chemical paper mounted on a gopher server), molecular mechanics or dynamics runs.
In our chemical MIME (Multipurpose Internet Mail Extension) proposal, we have identified a number of well defined formats and proposed their use as chemical MIME types.
www.ch.ic.ac.uk /chemical_mime.html   (0 words)

  
  Chemical Structure
However, several different terms are used to refer to the same structures, so take some care.
The chemical bonding, including intermolecular bonding, is important.
There are four main types of solid structure: three are giant structures, the fourth a molecular structure (small and big covalent molecules).
www.avogadro.co.uk /structure/chemstruc/structure.htm   (389 words)

  
 [No title]   (Site not responding. Last check: )
This list of chemical identity problems resulting in incomplete notices should not be considered comprehensive, as there may be other deficiencies with respect to chemical identity reporting that could cause EPA to consider a notice incomplete.
A correct representative or partial chemical structure diagram for a reported polymer or Class 2 substance (as complete as possible, based on what is known or reasonably ascertainable) is not included in the chemical identity information section of the notice form (Part I, Section B).
When any part of the chemical identity information is to be corrected via a notice amendment, the submitter must ensure that all the rest of the chemical identity information in the notice is consistent with the revised information, or the notice amendment will not be processed.
www.pinechemicals.org /pmn/EPAGuidance.doc   (1030 words)

  
 Science Notes: Features   (Site not responding. Last check: )
The detectives gather data and solve the chemical puzzles to produce a ball and stick representation of a molecule previously unknown to science.
Although each chemical structure must be solved anew, researchers use a few standard techniques to cast the larger puzzle pieces.
For Crews, deducing the chemical structure of a previously unknown molecule is an end in itself.
scicom.ucsc.edu /SciNotes/9701/full/features/sponge/chemical_puzzles.html   (496 words)

  
 Chemical Resistance of Fluoropolymers - The Zeus Polymer Minute
and this is a ‘shorthand’ notation for the polymer structure.
The chemical inertness of PTFE is outstanding because of the chemical structure.
It is entirely predictable from the unique chemical structure of these polymers – they literally have no weak links for chemical reactions to start and this means that they remain inert in almost all applications and under almost all circumstances.
www.zeusinc.com /newsletter/chemical_resistance.asp   (1719 words)

  
 Chemical structure   (Site not responding. Last check: )
Chemical structure insights into color tuning and field operations to achieve overall project award winner.
Structure it structure can be applied to focus on new projects structure strategic to organizational existence.
Structure furthermore, the package for using multilocus genotype data to most structure of the ancestral.
structure.fubarentertainment.com /chemical-structure.html   (897 words)

  
 Annex on Chemicals
For the purpose of implementing this Convention, these Schedules identify chemicals for the application of verification measures according to the provisions of the Verification Annex.
(Whenever reference is made to groups of dialkylated chemicals, followed by a list of alkyl groups in parentheses, all chemicals possible by all possible combinations of alkyl groups listed in the parentheses are considered as listed in the respective Schedule as long as they are not explicitly exempted.
A chemical marked "*" on Schedule 2, part A, is subject to special thresholds for declaration and verification, as specified in Part VII of the Verification Annex.)
www.opcw.org /html/db/cwc/eng/cwc_annex_on_chemicals.html   (558 words)

  
 Chemical Structure Searching Now on Dialog®
The graphical chemical structure searching tool, launched as part of a portfolio of new and enhanced features available through the DialogLink 5 software package used by information professionals worldwide, allows researchers to use their preferred chemical structure drawing software to launch a Dialog search.
Chemical structure and substructure searching on Dialog includes several unique features, including substructure highlighting in retrieved records, as well as the ability to edit retrieved structures.
Once a chemical compound is identified using DialogLink 5, users may quickly link to related research sources, such as patent documents, articles published in scholarly journals, news reports about manufacturers and an extensive range of other content options.
www.dialog.com /pressroom/2005/css_031605.shtml   (712 words)

  
 Introduction to Chemical Info Systems
Structures which are contained in a target structure.
Structures which are tautomeric with the target structure.
It was not until the invention of SMILES that we had a linear representation of structure which was valid for a paper system using manuscript or typesetting and also for a computer system using either the keyboard or graphical input.
www.daylight.com /meetings/emug02/Bradshaw/Training   (2765 words)

  
 Chemical Structure and its Importance in the Environment - Bates College
The major emphasis of the classroom portion of the course will be to develop an understanding of the structure and shape of atoms and molecules, and to appreciate how those aspects of chemistry pertain to the study of the environment.
The shape and structure of chemical substances, which does not just include the location of atoms in molecules but also the location of electrons, often determine why reactions occur.
An understanding of atomic and molecular structure is therefore fundamental to an understanding of chemistry.
www.aacu.org /womenscilit/ChemStructure.cfm   (551 words)

  
 The MSDS HyperGlossary: Chemical Formula
A chemical formula expresses the exact composition of a molecule or substance using the chemical abbreviations of the chemical elements.
Structural formulas are a version of a molecular formulas in which the connectivity of the atoms is implied.
Chemical names are not always reliable because a common chemical may be known by several different names.
www.ilpi.com /msds/ref/chemicalformula.html   (562 words)

  
 Basic Chemical Structure amongst Fats
Dietary fat is necessary for energy and all fats, regardless of their chemical structure, contain the same amount of energy (37 kilojoules/gram or 4 calories/gram).
However, fats also have biological functions, which vary with their chemical structures, and this variety in their functions is essential for maintenance of good health.
Functionally, prostaglandins are short-lived, hormone-like chemicals that regulate cellular activities on a moment to moment basis.
www.omega3sealoil.com /Chapter2.html   (1800 words)

  
 Knovel Help Guide: Chemical Structure Search Toolbars
The default behavior may be changed by holding the control(Ctrl) key and then clicking on an atom in the existing structure to insert a group without a bond.
The default behavior may be changed by holding the control(Ctrl) key and then clicking on an atom in the existing structure to insert a fragment without a bond.
To replace an atom in the exiting structure, click on the desired atom button or choose the atom by opening the Periodic table of Elements window by clicking on 'More Elements' button.
www.knovel.com /knovel/Help/interactive_graph_files/chemstructuresearchtoolbar.htm   (922 words)

  
 An Open Standard for Chemical Structure Representation - The IUPAC Chemical Identifier
The aim of the IUPAC Chemical Identifier Project (IChIP) is to establish a unique label, the IUPAC Chemical Identifier (IChI), which would be a non-proprietary identifier for chemical substances that could be used in printed and electronic data sources thus enabling easier linking of diverse data compilations and unambiguous identification of chemical substances.
The CCINS is responsible for developing systems for conventional and computer-based chemical nomenclature; cooperating with the four current IUPAC nomenclature Commissions; coordinating interdisciplinary activities in the nomenclature field; and recommending to the Bureau long-range strategy on chemical nomenclature.
Of course, we define chemical compounds by their chemical structure, as typically shown in 2D diagrams or stored in computers as ‘connection tables’.
www.hellers.com /steve/resume/p157.html   (1977 words)

  
 Skunk Spray - Chemical Components
The chemical structure of these compounds and their percent (four individuals) in the defensive secretion are shown in the following illustration.
The chemical structure of these compounds and their percent (two individuals) in the defensive secretion are shown in the following illustration.
The chemical structure of these compounds and their percent (one individuals) in the defensive secretion are shown in the following illustration.
www.humboldt.edu /~wfw2/chemofskunkspray.html   (732 words)

  
 Chemical Glossary   (Site not responding. Last check: )
Their are other chemicals like impact modifiers, colorants, reinforcements, plasticisers and stabilizers etc that give specific properties to the plastics.
Burden of the Past - The 30,000 Existing Chemicals estimated to be on the EU market, for which little or no information is available, in particular about their long-term effects on human health or the environment.
Chemical Recycling - Chemical recycling is the process of recycling waste products by partially altering their chemical structure.
www.indianchemicalportal.com /chemical-resources/glossary.html   (1438 words)

  
 Carbohydrates - Chemical Structure (Page 1 of 3)
This slight structural difference makes a big difference in the biochemical properties, organoleptic properties (e.g., taste), and in the physical properties such as melting point and Specific Rotation (how polarized light is distorted).
Structures that have opposite configurations of a hydroxyl group at only one position, such as glucose and mannose, are called epimers.
Stereochemisty is the study of the arrangement of atoms in three-dimensional space.
www.scientificpsychic.com /fitness/carbohydrates.html   (951 words)

  
 Chemistry Database Software ChemDBsoft
Chemical Glossary (20,000 chemicals with names and structures)
CLC bio funds further acceleration of bioinformatics product development - Aarhus, Denmark, July 3, 2007 — Today CLC bio, the world’s leading bioinformatics solution provider, announced that the company has entered an agreement, which ensures a significant amount of additional financing from local Danish private investors.
Related fragment screening will be highlighted at an ACD/Labs MS Seminar (register) held in advance of the 55th ASMS Conference on Mass Spectrometry on Sunday, June 3rd, from 1:30-4:30 p.m.
www.chemdbsoft.com   (0 words)

  
 ChemSpider - Database of Chemical Structures and Property Predictions
Over 16.5 Million (16,562,543) Unique Chemical Compounds...and Growing...
ChemSpider is built with the intention of aggregating and indexing chemical structures and their associated information into a single searchable repository and making it available to everybody, for free.
ChemSpider is fast becoming a community for chemists to share data and knowledge associated with chemical structures and reactions and providing an open forum for discussion and sharing.
www.chemspider.com   (0 words)

  
 Chemical Resources of the Environmental Health & Toxicology Information Program
Chemical Resources of the Environmental Health and Toxicology Information Program
Database of over 380,000 chemicals, synonyms, structures, regulatory list information, and links to other databases
Search and display of registry number, chemical name, molecular formula, structure, physical and toxicological properties plus locator and classification data
sis.nlm.nih.gov /chemical.html   (76 words)

  
 Chemical Structure, Spatial Arrangement: The Early History of Stereochemistry, 1874-1914 - Science - RedOrbit
This is a first-rate addition to the history of nineteenth- century organic chemistry and it fills a glaring gap in our current knowledge of a major branch of chemical theory.
Stereochemistry is a very sophisticated topic and in order to understand its development the reader has to follow the chemical arguments used.
Sadly, however, the number of historians willing (or even able) to grapple with this level of technical expertise is decreasing and this must be a major concern for anyone who is anxious to see the history of organic chemistry given the same degree of scholarly attention as the history of, say, nuclear physics or psychology.
www.redorbit.com /news/science/572062/chemical_structure_spatial_arrangement_the_early_history_of_stereochemistry_18741914/index.html?source=r_science   (764 words)

  
 jPOWD Structure Applet
The structure files are now integrated-with and viewable-by the species pages for each mineral that has published structural data.
Mineral Structures - Thanks to the tireless effort of Dr Robert Downs and his associates at the University of Arizona for their crystal structure database.
The applet used for the web display of those structure files (jpowdjpx.jar) is copyrighted by Materials Data, Inc and is used with permission on webmineral.com.
webmineral.com /help/Structure.shtml   (769 words)

  
 Molecular Structure Help in Determining Salicylate Status of Ingredients
If the chemical finder finds the ingredient but does not have a molecular structure that implies the ingredient is a combination of chemicals, and not one single chemical, then we have to do further research to try and determine if salicylates are one of the chemicals in the ingredient.
If it does not have a specific chemical structure, we'd have to assume that it contained sals since it was extracted from a plant.
The source cannot change the status of a chemical, however, it may come into play in the sense that there may be a suspicion of contamination which might ultimately cause blocking in some instances.
www.psha-inc.com /guai-support/sf/Sal-Free/Molecular_Structure.htm   (1685 words)

  
 Fatty Acids - Chemical and Physical Structure
In the diagrams, the red circles are carbon atoms, forming the spine at the center of the molecules.
It has the same number of carbon, oxygen and hydrogen atoms, the same COOH acid at the alpha end, and the double bond is in the same place—but now it's straight instead of kinked.
The body recognizes this chemical structure and tries to use it in the same places and for the same purposes that it uses the bent cis form.
www.supplementquality.com /news/fatty_acid_structure.html   (1236 words)

  
 Chemical Information StructureViewers
Structures are in the MOL format developed by MDL Information Systems, Inc., and Web Browsers such as Mosaic, Internet Explorer, and Netscape can't read this without a helper application.
In order to display a structure, a structure drawing program or WWW viewer must be used.
Your Browser must be configured to expect the appropriate Chemical MIME value used by the server to send this data.
chem.sis.nlm.nih.gov /chemvw1.html   (540 words)

  
 Tourmaline Composition and structure
The complexity of tourmaline's chemical formula reflects the very large range of its possible compositions and the complexity of the mineral structure.
Minerals are held together by chemical bonds created by the attraction between positively and negatively charged ions in their structure.
The formula for tourmaline doesn't list every single chemical element that may be present in a given crystal, but is limited only to the most commonly found ones.
www.utexas.edu /tmm/npl/mineralogy/The_Collections/Tourmaline_frame.htm   (391 words)

  
 Tannins
PAs may contain from 2 to 50 or greater flavonoid units; PA polymers have complex structures because the flavonoid units can differ for some substituents and because of the variable sites for interflavan bonds.
Anthocyanidin pigments are responsible for the wide array of pink, scarlet, red, mauve, violet, and blue colors in flowers, leaves, fruits, fruit juices, and wines.
Depending on their chemical structure and degree of polymerization, PAs may or may not be soluble in aqueous organic solvents.
www.ansci.cornell.edu /plants/toxicagents/tannin/chemical.html   (488 words)

  
 Custom Small Scale Synthesis & Chemical Structure Elucidation and Confirmation
Structural determination of existing and new chemical entities (NCEs) are performed and confirmed by using the four (4) principal spectroscopic techniques, namely Mass Spectrometry (MS), Nuclear Magnetic Resonance, Infrared (IR) and Ultraviolet/Visible (UV/VIS).
NMR, using multi-nuclear probes and varying decoupling techniques, is used for the determination of structural components of molecules, and uniquely useful to determine stereoregularity.
A non-proprietary example of a typical Certificate of Analysis, including all supporting documentation containing spectra and corresponding structure, may be seen by clicking on the link in the Certificate of Analysis and then the corresponding individual spectroscopic subsection.
www.test-lab.com /pharmaceutical/small_scale_synthesis_chemical_structure.htm   (277 words)

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