Other Chemistry Commons^™

Synthesis Of Diruthenium Complexes As Connectable Molecular Components, George Ling

Renée Crown University Honors Thesis Projects - All

There have been great advances in electronics and technology within the last few years. The field of nanotechnology can further improve electronics in terms of efficiency, size and costs. There exist nanowires and nanotransistors that could accomplish this, however there exists no good method of connecting the two components together. Using the bottom-up approach and chemical synthesis, the goal is to synthesize molecular jumper cables and connectable molecular components (CMCs).

The template of the CMC will have two ruthenium (Ru) metal centers connected by a conjugated, organic bridge. Coordinated to the ruthenium metal centers will be different ligands that affect …

Rational Design And Synthesis Of Multifunctional Nanostructures For Biological And Medicinal Applications, Amy N. Otuonye

Renée Crown University Honors Thesis Projects - All

Mobile Composite Material (MCM-41) was modified by the addition of various functional groups, which increase the materials’ efficiency for an assortment of applications. Mesoporous materials have demonstrated to be capable of adsorbing and releasing of model drug molecules, rhodamine 6G and ibuprofen. Mesoporous silica materials functionalized with mercaptopropyltrimethoxysilane (MPTS), vinyltrimethoxysilane (VTS), aminopropyltrimethoxysilane (APTS), and N-(2-animoethyl)-3-aminopropyltriethoxysilane (AAPTS) were used to test the adsorption and release of rhodamine 6G (R6G) and ibuprofen. The vinyl and mercaptopropyl groups adsorbed and released more rhodamine 6G than the primary and secondary amine groups. The adsorption and release of ibuprofen was the opposite of the R6G …

The Effective Potential Energy Surfaces Of The Nonadiabatic Collision B(2PJA) + H2(1Σ+G,Ν,J) ↔ B(2PJ'A) + H2(1Σ+G,Ν',J'), Matthew B. Garvin

Theses and Dissertations

Effective potential energy surfaces (PESs) are calculated for a nonadiabatic collision . This calculation employed 1 ²A', 2 ²A' and 1 ²A" adiabatic PESs numerically calculated at the state-averaged multiconfigurational self-consistent field (SA-MCSCF)/configuration interaction (CI) level for several values of the H₂ bond length, H₂ orientation angle, and boron distance. The associated nonadiabatic coupling terms (NACTs) were calculated from the SA-MCSCF/CI wave functions using analytic gradient techniques. A line integral through the NACTs was then used to determine the adiabatic-to-diabatic mixing angle required to transform from the 1 ²A' and 2 ²A' …

Beta-Peptides With Improved Affinity For Hdm2 And Hdmx, Elizabeth A. Harker, Douglas S. Daniels, Danielle A. Guarracino, Alanna S. Schepartz

Chemistry Faculty Publications

We previously described a series of 314-helical β-peptides that bind the hDM2 protein and inhibit its interaction with a p53-derived peptide in vitro. Here we present a detailed characterization of the interaction of these peptides with hDM2 and report two new β-peptides in which non-natural side chains have been substituted into the hDM2-recognition epitope. These peptides feature both improved affinity and inhibitory potency in fluorescence polarization and ELISA assays. Additionally, one of the new β-peptides also binds the hDM2-related protein, hDMX, which has been identified as another key therapeutic target for activation of the p53 pathway in tumors.

Singing The Moly Blues: The Direct Use Of Molybdenum Clusters As A Precursor To The Development Of Molybdenum Blue Glazes, Margaret Fiedler

Undergraduate Review

Cobalt is currently the most commonly used blue colorant for ceramic glazes, however due to its toxicity in powder form there is a need for an alternative. Molybdenum, more specifically molybdenum oxide, is one alternative that has shown promise. This research is aimed at the direct incorporation of reduced molybdenum clusters into the glaze matrix. Two compounds have been synthesized that exhibit an intense blue color, Na₁₅[Mo^VI₁₂₆Mo^V₂₈O₄₅₇H₁₄(H₂O)₇₀]_0.5-[Mo^VI₁₂₄Mo^V₂₈O₄₂₇H₁₄(H₂O)₆₈]_{0.5 …}

A Collection Of Micrographs: Where Science And Art Meet, Vuk Uskoković

Pharmacy Faculty Articles and Research

Micrographs obtained using different instrumental techniques are presented with the purpose of demonstrating their artistic qualities. The quality of uniformity currently dominates the aesthetic assessment in scientific practice and is discussed in relation to the classical appreciation of the interplay between symmetry and asymmetry in arts. It is argued that scientific and artistic qualities have converged and inspired each other throughout millennia. With scientific discoveries and inventions enriching the world of communication, broadening the space for artistic creativity and making artistic products more accessible than ever, science inevitably influences artistic creativity. On the other hand, the importance of aesthetic principles …

Immobilization Method For Producing Active Α1-Acid Glycoprotein, David S. Hage, Hai Xuan

Department of Chemistry: Faculty Publications

A method and kit for immobilization of a glycoprotein. The method may include activating an affinity Support. The affinity Support may be activated by reacting the affinity Support with a compound that is reactive with one or more functional groups included within the glycoprotein. The method may also include oxidizing the glycoprotein in which oxidation conditions are selected to yield an oxidized glycoprotein that is biologically active and contains a Sufficient number of reactive aldehyde groups for coupling to a Support. For example, the oxidized glycoprotein may include five reactive aldehyde groups. In addition, the method may include reacting the …

Preparation And Characterization Of Some Substituted Benzyl N-Nitrosocarbamates Containing An N-2-(Methylthio)Ethyl Or A Bis(2-Aminoethyl)Sulfide Functionality, Satya Venkata, Eric Shamo, Vladimir Benin

Chemistry Faculty Publications

The synthesis and characterization of some substituted benzyl N-nitrosocarbamates with an N-2-(methylthio)ethyl or a bis(2-aminoethyl)sulfide functionality is reported, as a part of a long-term goal to design and prepare novel photolabile structures that could be used as substances for controlled release of alkylating and/or crosslinking agents. The synthesis was accomplished by reaction of benzyl chloroformates with the corresponding amines, resulting in the preparation of carbamates. The latter were subsequently nitrosated, utilizing two different N-nitrosation methods, to yield the target structures.

Radical Bonding: Structure And Stability Of Bis(Phenalenyl) Complexes Of Divalent Metals From Across The Periodic Table, Smaranda Craciun, Kelling J. Donald

Chemistry Faculty Publications

We examine the bonding possibilities of the bis(phenalenyl) MP₂ sandwich complexes of the divalent metals M = Be, Mg, Ca, Sr, Ba, Zn, Cd, and Hg, at the B3LYP level of theory. The outcome is an extraordinarily diverse class of low symmetry bis(phenalenyl)metal complexes in which bonding preferences and binding enthalpies differ dramatically. The lowest energy group 2 metal MP₂ complexes include an intriguing η¹,η³ BeP₂ structure, and bent η⁶,η⁶ systems for M = Ca, Sr, and Ba. The group 12 bis(phenalenyl) complexes are thermodynamically unstable η¹, …

Androgen-Stimulated Udp-Glucose Dehydrogenase Expression Limits Prostate Androgen Availability Without Impacting Hyaluronan Levels, Qin Wei, Robert Galbenus, Ashraf Raza, Ronald Cerny, Melanie A. Simpson

Ronald Cerny Publications

UDP-glucose dehydrogenase (UGDH) oxidizes UDP-glucose to UDP-glucuronate, an essential precursor for production of hyaluronan (HA), proteoglycans, and xenobiotic glucuronides. High levels of HA turnover in prostate cancer are correlated with aggressive progression. UGDH expression is high in the normal prostate even though HA accumulation is virtually undetectable. Thus, its normal role in the prostate may be to provide precursors for glucuronosyltransferase enzymes, which inactivate and solubilize androgens by glucuronidation. In this report, we quantified androgen dependence of UGDH, glucuronosyltransferase, and HA synthase expression. Androgen dependent and independent human prostate cancer cell lines were used to test the effects of UGDH …

A Multi-Step Nmr Screen For The Identification And Evaluation Of Chemical Leads For Drug Discovery, Kelly A. Mercier, Matthew D. Shortridge, Robert Powers

Department of Chemistry: Faculty Publications

A multi-step NMR based screening assay is described for identifying and evaluating chemical leads for their ability to bind a target protein. The multi-step NMR assay provides structure-related information while being an integral part of a structure based drug discovery and design program. The fundamental principle of the multi-step NMR assay is to combine distinct 1D and 2D NMR techniques, in such a manner, that the inherent strengths and weakness associated with each technique is complementary to each other in the screen. By taking advantage of the combined strengths of 1D and 2D NMR experiments, it is possible to minimize …

Anhydrous Fluoride Salts And Reagents And Methods For Their Production, Stephen G. Dimagno, Haoran Sun

Department of Chemistry: Faculty Publications

Anhydrous organic fluoride salts and reagents prepared by a method comprising the nucleophilic Substitution of a fluorinated aromatic or fluorinated unsaturated organic compound with a salt having the formula: [Q_nM]^x+A_x^- in an inert polar, aprotic solvent; wherein M is an atom capable of supporting a formal positive charge, the n groups Q are independently varied organic moieties, n is an integer such that the [Q_nM] carries at least one formal positive charge, x is an integer defining the number of formal positive charge(s), +, carried by the [Q_nM], A^{- …}