SOLUTE-SOLVENT INTERACTIONS IN CHEMISTRY AND BIOLOGY

Award Information
Agency: Department of Health and Human Services
Branch: N/A
Contract: N/A
Agency Tracking Number: 7263
Amount: $50,000.00
Phase: Phase I
Program: SBIR
Awards Year: 1987
Solicitation Year: N/A
Solicitation Topic Code: N/A
Solicitation Number: N/A
Small Business Information
Advanced Technology & Research
3933 Sandy Spring Road, Burtonsville, MD, 20866
DUNS: N/A
HUBZone Owned: N
Woman Owned: N
Socially and Economically Disadvantaged: N
Principal Investigator
 MORTIMER J KAMLET PHD
 (301) 421-1856
Business Contact
Phone: () -
Research Institution
N/A
Abstract
THE "SOLVATOCHROMIC PARAMETER" DATABASE WILL BE EXPANDED ANDSOLUBILITY, DISTRIBUTION, AND TOXICOLOGY PROPERTIES (XYZ) OF ORGANIC NONELECTROLYTES WILL BE CORRELATED, RATIONALIZED,AND PREDICTED THROUGH LINEAR SOLVATION ENERGY RELATIONSHIPS OF THE FORM: XYZ = XYZ + MV/100 + S PI* + A ALPHA + B BETA, WHERE V IS A MEASURE OF SOLUTE (TOXICANT) MOLAR VOLUME, AND PI*, ALPHA, AND BETA ARE THE SOLVATOCHROMIC PARAMETERS THAT MEASURE SOLUTE DIPOLARITY/POLARIZABILITY, HYDROGEN-BOND DONOR ACIDITY, AND HYDROGEN-BOND ACCEPTOR BASICITY. PROPERTIES TO BE CORRELATED AND PREDICTED INCLUDE AQUEOUS SOLUBILITIES AND TOXICITIES OF LIQUID AND SOLID SOLUTES, SOLUBILITIES OF LIQUID SOLUTES IN HUMAN BODY TISSUES AND FLUIDS, AND EQUILIBRIUM DISTRIBUTIONS OF LIQUID AND SOLID SOLUTES (INCLUDING CANDIDATE PHARMACEUTICALS AND CARCINOGENS) AMONG THESE TISSUES. THE CORRELATION EQUATIONSWILL PROVIDE SYNTHESIS GUIDELINES FOR "TARGETING" OF CANDIDATE PHARMACEUTICALS TOWARD OR AWAY FROM SPECIFIC BODY ORGANS.

* information listed above is at the time of submission.

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