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HIV-1 Protease: An Enzyme at Work This is "HIV-1 Protease: An Enzyme at Work", from a video tape published by the Journal of Chemical Education - Software as Special Issue 13
Molecular Models of Real and Mock Illicit Drugs from a Forensic Chemistry ActivityWilliam F. Coleman The Featured Molecules for this month have been drawn from a forensic chemistry exercise in which model compounds are used to simulate the behavior of various drugs in a series of chemical tests. The compounds considered include chlorpromazine (Thorazine) and phenothiazine, both involved in the manufacture of antipsychotic drugs. Coleman, William F. J. Chem. Educ.2008, 85, 880.
Drugs / Pharmaceuticals |
Forensic Chemistry |
Molecular Properties / Structure |
Molecular Modeling
Using Laboratory Chemicals To Imitate Illicit Drugs in a Forensic Chemistry ActivityShawn Hasan, Deborah Bromfield-Lee, Maria T. Oliver-Hoyo, and Jose A. Cintron-Maldonado This forensic chemistry activity utilizes forensic procedures (chemical spot tests and thin-layer chromatography) on laboratory chemicals that mimic actual street drugs to produce screening results similar to those for controlled substances. Hasan, Shawn; Bromfield-Lee, Deborah; Oliver-Hoyo, Maria T.; Cintron-Maldonado, Jose A. J. Chem. Educ.2008, 85, 813.
Applications of Chemistry |
Drugs / Pharmaceuticals |
Forensic Chemistry |
Thin Layer Chromatography
Complexometric Titration of Aluminum and Magnesium Ions in Commercial Antacids. An Experiment for General and Analytical Chemistry LaboratoriesShui-Ping Yang and Ruei-Ying Tsai A novel experiment for determining the total and individual aluminum and magnesium ion content in commercial antacids is described. This experiment is developed with three independent protocols based on complexometric direct and back titrations containing the concepts and usages of blocking, masking, buffer controls and metallic indicators. Yang, Shui-Ping; Tsai, Ruei-Ying. J. Chem. Educ.2006, 83, 906.
Acetaminophen, Aspirin, and CaffeineWilliam F. Coleman, Randall J. Wildman The WebWare Molecules for February are from the article, "A General Chemical Laboratory Theme: Spectroscopic Analysis of Aspirin", by Houston Byrd and Stephen E. O'Donnell. In the article, students examine non-prescription medicines containing acetaminophen, aspirin, and caffeine.
Molecular Properties / Structure |
Medicinal Chemistry
Molecular Models of Real and Mock Illicit Drugs from a Forensic Chemistry ActivityWilliam F. Coleman The Featured Molecules for this month come from the paper by Shawn Hasan, Deborah Bromfield-Lee, Maria T. Oliver-Hoyo, and Jose A. Cintron-Maldonado (1). The authors describe a forensic chemistry exercise in which model compounds are used to simulate the behavior of various drugs in a series of chemical tests. Structures of a number of the chemicals used in the experiment, and several of the drugs they are serving as proxy for, have been added to the molecule collection. Other substances used in the experiment are already part of the collection, including caffeine and aspirin. One structure that may be both intriguing and confusing to students is that of chlorpromazine (Thorazine, Figure 1). A majority of students might well expect the ring portion of the molecule to show a planar structure. This is not what is found from calculations at the HF/6311++G(d,p) level in both the gas phase and in water. Instead, the three rings are in a V-like formation with a deformation of approximately 50 degrees from planarity. Tracking down the source of this non-planarity would be a useful computational exercise. Does it arise from the presence of the alkyl chain (steric effect), from the chloro group (electronic effect), or from electronic effects involving the elements of the heterocyclic ring? As a starting point to addressing these questions, students could be introduced to the use of model compounds in computation. One such compound would be the parent ring system phenothiazine (Figure 2). That molecule contains neither a chloro substituent nor an extended alkyl group. Is it also found to be non-planar? Is the deformation angle the same, larger, or smaller than in chlorpromazine? Does the addition of chloro group to phenothiazene change the angle significantly? What about the addition of an alkyl group? If the model compound is forced to be planar are all of the vibrational frequencies real (positive)? If not, what type of deformation is suggested by the imaginary (negative) vibration?
Drugs / Pharmaceuticals |
Forensic Chemistry
Nitric Oxide-Releasing CompoundsWilliam F. Coleman, Randall J. Wildman The five WebWare Molecules for December derive from the article Nitrogen-Based Diazeniumdiolates: Versatile Nitric Oxide-Releasing Compounds for Biomedical Research and Potential Clinical Applications by Joseph E. Saavedra and Larry K. Keefer.
