title: Information content in organic molecules: aggregation states and solvent effects.
abstract: The information content of organic molecules has been the subject of a series of papers from this lab. The investigation continues as aggregation states and some of their attendant solvent effects are examined. An organic molecule operates as an information source not in a vacuum but rather in conjunction with one or more solvent compounds. Accordingly, solvents (ethanol, acetone, etc.) furnish both a source and a channel that modify molecular information. In this paper, Brownian techniques are developed further so as to quantify molecular information with aggregation states taken into account. Several applications follow concerning organic acid ionization in solution, tautomerization reactions, and molecular activity at biological receptor sites. The goal is to advance Brownian processing as a means of probing molecular information and its communication. To this end, practical examples are offered relating structure and function along informatic lines.
authors.affiliation: Department of Chemistry, Loyola University of Chicago, 6525 North Sheridan Road, Chicago, Illinois 60626, USA. dgraha1@luc.edu
authors.forename: Daniel J
authors.initials: DJ
authors.lastname: Graham
mesh_terms: D019342:Acetic Acid / Q000737:chemistry; D018678:Cholinergic Agents / Q000737:chemistry; D019818:Clavulanic Acid / Q000737:chemistry; D006863:Hydrogen-Ion Concentration; D007659:Ketones / Q000737:chemistry; D009930:Organic Chemicals / Q000737:chemistry*; D012996:Solutions / Q000737:chemistry; D012997:Solvents / Q000737:chemistry*
chemical_list: D018678:Cholinergic Agents; D007659:Ketones; D009930:Organic Chemicals; D012996:Solutions; D012997:Solvents; D019818:Clavulanic Acid; D019342:Acetic Acid