Chemistry Commons^™

Combinatorial Chemistry: A Guide For Librarians, Philip Barnett

Publications and Research

No abstract provided.

Novel Carbon-Carbon Bond Oxidative Cleavage Of Hexabenzyl-Hexaazaisowurtzitane By N-Buono And (Nh4)2ce(No3)6, Xiao-Pei Guan, Hong Yan, Jian-Guang Sun, Yong-Zhong Yu

Publications and Research

Treatment of 2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexaazatetracyclo-[5.5.0.05,9.03,11]dodecane with n-butyl nitrite or ammonium cerium nitrate results in novel C(1)-C(7) oxidative cleavage to give 1,3,4,5,7,8-hexabenzyl-cis-cisoid-cis-hexahydro-1H,5H-diimidazolinium[4,5-b:4′,5′-e]pyrazine dinitrate.

Careers In Chemical Information And Science Librarianship, Philip Barnett

Publications and Research

The ceaseless growth of chemical information has created a need for chemical professionals who can organize and disseminate this vast knowledge. If you like to read, enjoy being in a library, or like to work with information on computers, you may want to consider a career in chemical information. While only a small fraction of chemists choose this nontraditional career, they have found fulfillment in many different roles. Chemical information scientists and librarians using the powerful computerized databases now available either provide chemists and other research scientists the information they need, or teach researchers and students how to use these …

Biological Activity And Conformational Analysis Of Nikkomycins And Their Analogs, Eduardo Krainer

Dissertations, Theses, and Capstone Projects

Nikkomycins and polyoxins are peptidyl nucleoside antibiotics produced by Streptomyces species. They are potent inhibitors of chitin synthetases from pathogenic fungi, and polyoxins have been used in Japan for many years as agricultural fungicides and for insect control. Since chitin synthetase is not found in mammals and both families of antibiotics are not toxic, these inhibitors are potentially attractive for clinical use. Unfortunately these compounds seem to have only a fungistatic action, and they are not used clinically at present.

A procedure for efficiently obtaining nikkomycins X and Z of very high purity from crude antibiotic is described. These nikkomycins …

Theoretical Studies Of The Energies And Geometries Of Strained Hydrocarbons, Mitchell Alan Miller

Dissertations, Theses, and Capstone Projects

Theoretical models are used to explore problems of interest to organic chemists in four projects. The first three apply existing methodologies to investigate a series of strained cyclic hydrocarbon molecules; the fourth develops methodology.

Project I. Semiempirical calculations have been performed on a variety of hydrocarbons composed of fused cyclobutane rings using the MNDO, AM1 and MM2 methods. The systems studied include linearly concatenated cyclobutanes (ladderanes), cyclic structures (prismanes) and two 'star-shaped' C₂₄H₂₄ hydrocarbons, helvetane and israelane. The results reported include optimized geometries, heats of formation and vibrational frequencies. The performance of the theoretical models is evaluated …

Ni(Ii) (Dioxo[16]Anen5)-Induced Methane Formation From Methyl Coenzyme M, Charles Michael Drain, Barry B. Cordon, David B. Sable

Publications and Research

The nickel tetrapyrrole containing factor, F430, is implicated in the final methane evolution step in methanogenic ba~terial-~ and has attracted considerable a t t e n t i ~ n . ~T- ~he essential role of F430 in methane formation was demonstrated by Ankel-Fuchs and Thauer, who reported the in vitro catalysis of H3CSCH2CH2S03-, methyl coenzyme M (methyl-CoM), to methane and CoM by purified methyl-CoM reductase under reducing condit i o n ~ .S~in ce F,,o exists in both the Ni(1) (or Ni(II1)) and the Ni(I1) states in Methanobacterium thermoautotrophicum,loi,t ll is of interest to examine the role of the …

Reversible Oxygenation Of Oxygen Transport Proteins, Charles Michael Drain, Barry B. Cordon

Publications and Research

A lecture demonstration illustrating changes in the visible spectra of oxygen transport proteins upon reversihle oxygen binding is reported. The coloration upon exposure to oxygen is dramatic. Deoxyhemoglobin changes from purple to red, deoxyhemocyanin is transformed from colorless to blue, while colorless deoxyhemerythrin turns red. This demonstration illustrates an interesting example of a chemically reversible reaction and is used in the discussion of basic thermodynamic properties. A comparison of the physical characteristics of these oxveen storaee and transn.o rt ~ro- A teins is provided to illustrate the stru&ral diversity associated with these proteins having a similar biological role.

Totally Empirical Wavefunctions From X-Ray Diffraction Data, Martin Jeffry Goldberg

Dissertations, Theses, and Capstone Projects

The interpretation of coherent x-ray diffraction experiments by a quantum model is described. Adjusting the coefficients of an LCAO expansion to best fit measured Bragg intensities results in a totally empirical quantum wavefunction. The quantum model is compared to a multipole expansion. The constraints imposed by quantum mechanics are examined, and several methods of satisfying these constraints while best fitting a wavefunction to measured Bragg intensities are detailed. Application is made to beryllium metal, with a resultant fit R(,1) = .00249. Similar applications to graphite and diamond are outlined. The formalism is extended to explicitly include solid-state effects, and this …

The Theory And Synthesis Of [2.2.2] Propellane, Theodore Mark Prociv

Dissertations, Theses, and Capstone Projects

INDO calculations indicated that the triplet state of dimethylene cyclohexane could rearrange to gometrically relaxed triplets which should collapse preferentially to the ground state [2.2.2] Propellane. A mercury sensitized photolysis of the dimethylene cyclohexane did in fact result in detectable quantities of the propellane, trapped as 1,4 dibromobicyclo octane. Synthesis of 1,4 dibromobicyclo octane and 1,1,6,6 tetradeuterodimethylene-cyclohexane are presented in the dissertation. Included in the dissertation are the results of INDO calculations of various propellane isomers having nitrogens and borons in the bridgehead positions.

The Effect Of Charged Interfaces On The Ionic Distribution In Solution, Myron Elliot Feinstein

Dissertations, Theses, and Capstone Projects

No abstract provided.