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Articles 1 - 18 of 18
Full-Text Articles in Chemistry
The Synthesis And Characterization Of Photoluminescent Conjugated Frameworks Containing Silicon And Germanium, Douglas William Hammerstroem
The Synthesis And Characterization Of Photoluminescent Conjugated Frameworks Containing Silicon And Germanium, Douglas William Hammerstroem
Dissertations
Siloles and 9-heterofluorenes (Si, Ge) are conjugated π-electron systems containing Group 14 atoms which demonstrate unique properties such as high electron affinity, mobility, and bathochromically shifted optical spectra relative to their all-carbon analogs. This is due to their low-lying lowest-unoccupied molecular orbital (LUMO) which is resultant of the σ*-π* conjugation between the exocyclic groups at the Group 14 center and the butadiene unit of the ring. As a consequence, they have received considerable attention for their use as components for a wide variety of optical and electronic applications such as organic light emitting diodes (OLEDs), photovoltaic devices, field-effect transistors (FETs), …
Development Of An Hplc-Based Oligosaccharide Synthesizer, Salvatore Pistorio
Development Of An Hplc-Based Oligosaccharide Synthesizer, Salvatore Pistorio
Dissertations
Carbohydrates are the most abundant molecules on Earth. They are involved in a wide range of fundamental biological processes: anti-inflammation, immune response, joint lubrication, cell growth, antigenic determination. Carbohydrates are also held responsible for many damaging cellular processes, such as bacterial and viral infections, development of tumors, etc.. Therefore, the development of effective methods for the synthesis of complex carbohydrates has become a critical area of glycosciences. One challenge that stands out is the stereocontrol in the synthesis of glycosidic bonds, the linkage that serves as the only means to connect simple monosaccharides into complex oligomeric networks. Beyond this, the …
Characterization Of Wy 14,643 And Its Complex With Aldose Reductase, Michael Sawaya, Malkhey Verma, Vaishnavi Balendiran, Nigam Rath, Duilio Cascio, Ganesaratnam Balendiran
Characterization Of Wy 14,643 And Its Complex With Aldose Reductase, Michael Sawaya, Malkhey Verma, Vaishnavi Balendiran, Nigam Rath, Duilio Cascio, Ganesaratnam Balendiran
Chemistry & Biochemistry Faculty Works
The peroxisome proliferator, WY 14,643 exhibits a pure non-competitive inhibition pattern in the aldehyde reduction and in alcohol oxidation activities of human Aldose reductase (hAR). Fluorescence emission measurements of the equilibrium dissociation constants, Kd, of oxidized (hAR•NADP+) and reduced (hAR•NADPH) holoenzyme complexes display a 2-fold difference between them. Kd values for the dissociation of WY 14,643 from the oxidized (hAR•NADP+•WY 14,643) and reduced (hAR•NADPH•WY 14,643) ternary complexes are comparable to each other. The ternary complex structure of hAR•NADP+•WY 14,643 reveals the first structural evidence of a fibrate class drug binding to hAR. These observations demonstrate how fibrate molecules such as …
Conformationally Superarmed S-Ethyl Glycosyl Donors As Effective Building Blocks For Chemoselective Oligosaccharide Synthesis In One Pot, Mithila Bandara, Jagodige Yasomanee, Nigam Rath, Christian Pedersen, Mikael Bols, Alexei Demchenko
Conformationally Superarmed S-Ethyl Glycosyl Donors As Effective Building Blocks For Chemoselective Oligosaccharide Synthesis In One Pot, Mithila Bandara, Jagodige Yasomanee, Nigam Rath, Christian Pedersen, Mikael Bols, Alexei Demchenko
Chemistry & Biochemistry Faculty Works
A new series of superarmed glycosyl donors has been investigated. It was demonstrated that the S-ethyl leaving group allows for high reactivity, which is much higher than that of equally equipped S-phenyl glycosyl donors that were previously investigated by our groups. The superarmed S-ethyl glycosyl donors equipped with a 2-O-benzoyl group gave complete β-stereoselectivity. Utility of the new glycosyl donors has been demonstrated in a one-pot one-addition oligosaccharide synthesis with all of the reaction components present from the beginning.
Fluselenamyl: A Novel Benzoselenazole Derivative For Pet Detection Of Amyloid Plaques (Aβ) In Alzheimer's Disease, Nigam Rath, G.S.M. Sundaram, Dhruva Dhavale, Julie Prior, Ping Yan, John Cirrito, Richard Laforest, Nigel Cairns, Jin-Moo Lee, Paul Kotzbauer, Vijay Sharma
Fluselenamyl: A Novel Benzoselenazole Derivative For Pet Detection Of Amyloid Plaques (Aβ) In Alzheimer's Disease, Nigam Rath, G.S.M. Sundaram, Dhruva Dhavale, Julie Prior, Ping Yan, John Cirrito, Richard Laforest, Nigel Cairns, Jin-Moo Lee, Paul Kotzbauer, Vijay Sharma
Chemistry & Biochemistry Faculty Works
Fluselenamyl (5), a novel planar benzoselenazole shows traits desirable of enabling noninvasive imaging of Aβ pathophysiology in vivo; labeling of both diffuse (an earlier manifestation of neuritic plaques) and fibrillar plaques in Alzheimer’s disease (AD) brain sections, and remarkable specificity for mapping Aβ compared with biomarker proteins of other neurodegenerative diseases. Employing AD homogenates, [18F]-9, a PET tracer demonstrates superior (2–10 fold higher) binding affinity than approved FDA tracers, while also indicating binding to high affinity site on Aβ plaques. Pharmacokinetic studies indicate high initial influx of [18F]-9 in normal mice brains accompanied by rapid clearance in the absence of …
In Vivo And In Vitro Studies Of Polyamides That Are Active Antiviral Agents Against Hpv16, Edith Csiki-Fejer
In Vivo And In Vitro Studies Of Polyamides That Are Active Antiviral Agents Against Hpv16, Edith Csiki-Fejer
Dissertations
Long-term, persistent infection with high-risk strains of human papillomavirus (HPV) is the precursor of most cervical cancers and an increasing number of the head and neck cancers. While HPV vaccines can protect patients under twenty-five years old from possible infections, no HPV antiviral drugs are available for the definitive treatment of preexisting or future viral infections. To treat current or future HPV infections, drugs that selectively block virus-specific processes, but do not damage the host cells, are needed. The compounds developed in our group are unique Imidazole-pyrrole polyamides, analogs of natural products Distamycin A and Netropsin that function by interfering …
First-Principles Calculated Decomposition Pathways For Libh4 Nanoclusters, Zhi-Quan Huang, Wei-Chih Chen, Feng-Chuan Chuang, Eric Majzoub, Vidvuds Ozoliņš
First-Principles Calculated Decomposition Pathways For Libh4 Nanoclusters, Zhi-Quan Huang, Wei-Chih Chen, Feng-Chuan Chuang, Eric Majzoub, Vidvuds Ozoliņš
Physics Faculty Works
We analyze thermodynamic stability and decomposition pathways of LiBH4 nanoclusters using grand-canonical free-energy minimization based on total energies and vibrational frequencies obtained from density-functional theory (DFT) calculations. We consider (LiBH4)n nanoclusters with n = 2 to 12 as reactants, while the possible products include (Li)n, (B)n, (LiB)n, (LiH)n, and Li2BnHn; off-stoichiometric LinBnHm (m ≤ 4n) clusters were considered for n = 2, 3, and 6. Cluster ground-state configurations have been predicted using prototype electrostatic ground-state (PEGS) and genetic algorithm (GA) based structural optimizations. Free-energy calculations show hydrogen release pathways markedly differ from those in bulk LiBH4. While experiments have found …
A Simplified Direct Lipid Mixing Lipoplex Preparation: Comparison Of Liposomal-, Dimethylsulfoxide-, And Ethanol-Based Methods, Joseph Meisel, George Gokel
A Simplified Direct Lipid Mixing Lipoplex Preparation: Comparison Of Liposomal-, Dimethylsulfoxide-, And Ethanol-Based Methods, Joseph Meisel, George Gokel
Chemistry & Biochemistry Faculty Works
Established transfection methodology often uses commercial reagents, which must be formed into liposomes in a sequence of about half a dozen steps. The simplified method reported here is a direct lipid mixing approach that requires fewer steps, less manipulation, and is less time-consuming. Results are comparable to those obtained with more commonly used methods, as judged by a variety of analytical techniques and by comparisons of transfection results. The method reported here may be applied to non-liposome-forming compounds, thereby greatly expanding the range of structures that can be tested for transfection ability.
Synthesis And Characterization Of Amphiphiles For Mammalian Cell Transfection And Antimicrobial Activity, Joseph William Meisel
Synthesis And Characterization Of Amphiphiles For Mammalian Cell Transfection And Antimicrobial Activity, Joseph William Meisel
Dissertations
Amphiphiles are molecules that contain both water-soluble and water-insoluble components. The dual nature of these molecules engenders remarkable properties including the ability to self-assemble into ordered structures. Cell membranes are composed of amphiphilic phospholipids that organize into a bilayer motif. Synthetic amphiphiles can interact with natural membranes and influence the transport of molecules across the cell membrane. The work elaborated in this report employs amphiphiles to co-assemble with DNA and transport the genetic material across cell membranes. First, a simplified method for interacting DNA with amphiphiles was developed. Second, a series of known ion-transporting compounds were assayed for their interaction …
Study Of Vaporization Enthalpies And Vapor Pressures Of Potential Environmental Pollutants By Correlation-Gas Chromatography, Chase Patrick Gobble
Study Of Vaporization Enthalpies And Vapor Pressures Of Potential Environmental Pollutants By Correlation-Gas Chromatography, Chase Patrick Gobble
Dissertations
The focus of this dissertation is on the measurement and analysis of thermodynamic data, including vaporization, fusion, and sublimation enthalpies and vapor pressures of dialkyl phthalates, as well as aliphatic and aromatic primary and tertiary amines by correlation gas chromatography (CGC). These compounds are important industrial and pharmaceutical substances whose prolonged use and sometimes misuse with regards to their disposal has created an environmental concern. Thermodynamic properties, such as vaporization enthalpy and vapor pressure provide crucial information to numerous industries and fields of study that include the chemical and petrochemical industry, chemical engineering and environmental science. Dialkyl phthalates are essential …
App Regulates Microglial Phenotype In A Mouse Model Of Alzheimer's Disease, Gunjan Manocha, Angela Floden, Keiko Rausch, Joshua Kulas, Brett Mcgregor, Lalida Rojanathammanee, Kelley Puig, Kendra Puig, Sanjib Karki, Michael Nichols, Diane Darland, James Porter, Colin Combs
App Regulates Microglial Phenotype In A Mouse Model Of Alzheimer's Disease, Gunjan Manocha, Angela Floden, Keiko Rausch, Joshua Kulas, Brett Mcgregor, Lalida Rojanathammanee, Kelley Puig, Kendra Puig, Sanjib Karki, Michael Nichols, Diane Darland, James Porter, Colin Combs
Chemistry & Biochemistry Faculty Works
Prior work suggests that amyloid precursor protein (APP) can function as a proinflammatory receptor on immune cells, such as monocytes and microglia. Therefore, we hypothesized that APP serves this function in microglia during Alzheimer's disease. Although fibrillar amyloid β (Aβ)-stimulated cytokine secretion from both wild-type and APP knock-out (mAPP−/−) microglial cultures, oligomeric Aβ was unable to stimulate increased secretion from mAPP−/− cells. This was consistent with an ability of oligomeric Aβ to bind APP. Similarly, intracerebroventricular infusions of oligomeric Aβ produced less microgliosis in mAPP−/− mice compared with wild-type mice. The mAPP−/− mice crossed to an APP/PS1 transgenic mouse line …
Templated Oligosaccharide Synthesis, Jia Guang Xiao
Templated Oligosaccharide Synthesis, Jia Guang Xiao
Dissertations
Glycosyl transfer within the active site of an enzyme involves the arrangement of the gly-cosyl donor and glycosyl acceptor in close proximity to each other. To mimic this pro-cess, intramolecular glycosylations are carried out where the donor and acceptor are linked together via a spacer. Correct orientation, rigidity and position of the spacer play a vital role in the selectivity and yield of reactions in this “molecular clamp method”. Though current methodologies show promising results in terms of yield and selectivity, the need to synthesize different complexes to ensure selectivities in all types of glycosidic linkages is a large deterrent …
Synthesis Of Cyclic Enolphosphonates And Enolphosphates As Inhibitors Of Serine Hydrolases, Benjamin Patrick Martin
Synthesis Of Cyclic Enolphosphonates And Enolphosphates As Inhibitors Of Serine Hydrolases, Benjamin Patrick Martin
Dissertations
Cyclophostin is a potent naturally occurring inhibitor of acetylcholinesterase with a novel bicyclic enolphosphate structure. The cyclipostins are a family of potent hormone-sensitive lipase inhibitors which share the same bicyclic enolphosphate core structure with cyclophostin which but differ primarily in that they are long-chain alkyl phosphate esters whereas cyclophostin is a methyl phosphate ester. Due to the novelty of the inhibitor structure, potency, and ability to select between two serine hydrolase enzymes with a simple change in the ester substituent, the ongoing structure activity relationship investigation of this family of inhibitors was continued. Methods of transesterification were investigated in order …
Binding Properties Of Large Antiviral Polyamides (Pa1 And Pa25) And Natural Product Derivatives As Inhibitors Of Serine Hydrolases, Elena Vasilieva
Binding Properties Of Large Antiviral Polyamides (Pa1 And Pa25) And Natural Product Derivatives As Inhibitors Of Serine Hydrolases, Elena Vasilieva
Dissertations
Polyamides are a class of DNA minor groove binders that were developed from the natural product Distamycin A. PA25 (20-ring PA) showed better activity (3-fold) in the elimination of HPV16 episomes than PA1 (14-ring PA). Binding studies of PA1 and PA25 were performed in the long control region of HPV16 (7348-122 bp). PA1 showed similar binding affinity to perfect match and single mismatch binding sites. PA1 bound to double, triple, and quadruple mismatch sites with lower affinity. PA25 bound with similar binding affinity to perfect through triple mismatch binding sites. PA25 bound quadruple mismatch sites and nonspecifically. Therefore, it was …
Applications Of Nanoporous Gold Monoliths As Substrates For The Capture And Release Of Lectins And Glycoproteins, Allan Jonson Alla
Applications Of Nanoporous Gold Monoliths As Substrates For The Capture And Release Of Lectins And Glycoproteins, Allan Jonson Alla
Dissertations
Nanoporous gold (np-Au) monoliths are a free-standing nanostructured material with typical pore dimensions in the tens of nanometers range. The microstructure of np-Au resembles those of macroporous monolithic materials being used in chromatographic separations. The surfaces of np-Au monoliths were modified via flow methods with different ligands to develop affinity substrates for separations. A carbohydrate-modified np-Au monolith was prepared by immobilizing thiolated saccharides and further used to separate lectins. The np-Au monolith surface was also functionalized with self-assembled monolayers (SAMs) of α-lipoic acid (LA) followed by activation of carboxyl terminal groups to create amine reactive esters. Concanavalin A (Con A) …
Uplc–Qtof–Ms And Nmr Analyses Of Graviola (Annona Muricata) Leaves, Ingrid De Moraes, Paulo Ribeiro, Flávio Schmidt, Kirley Canuto, Guilherme Zocolo, Edy De Brito, Rensheng Luo, Kristy Richards, Kevin Tran, Robert Smith
Uplc–Qtof–Ms And Nmr Analyses Of Graviola (Annona Muricata) Leaves, Ingrid De Moraes, Paulo Ribeiro, Flávio Schmidt, Kirley Canuto, Guilherme Zocolo, Edy De Brito, Rensheng Luo, Kristy Richards, Kevin Tran, Robert Smith
Chemistry & Biochemistry Faculty Works
No abstract provided.
Variable Van Der Waals Radii Derived From A Hybrid Gaussian Charge Distribution Model For Continuum-Solvent Electrostatic Calculations, Renlong Ye, Xuemei Nie, Chung Wong, Xuedong Gong, Yan Wang, Thomas Heine, Baojing Zhou
Variable Van Der Waals Radii Derived From A Hybrid Gaussian Charge Distribution Model For Continuum-Solvent Electrostatic Calculations, Renlong Ye, Xuemei Nie, Chung Wong, Xuedong Gong, Yan Wang, Thomas Heine, Baojing Zhou
Chemistry & Biochemistry Faculty Works
We introduce a hybrid Gaussian charge distribution model (HGM) that partitions the molecular electron density into overlapping spherical atomic domains. The semi-empirical HGM consists of atom-centered spherical Gaussian functions and discrete point charges, which are optimized to reproduce the electrostatic potential on the molecular surface as well as the number of electrons in atom-centered and certain off-atom-centered spherical regions as closely as possible. In contrast, our previous Gaussian charge distribution model [J. Chem. Phys. 129, 014509 (2008)] contained only spherical Gaussian functions and was not required to reproduce the number of electrons in off-atom-centered regions. Variable van der Waals (vdW) …
Phase Transition Enthalpy Measurements Of Organic And Organometallic Compounds. Sublimation, Vaporization And Fusion Enthalpies From 1880 To 2015. Part 1. C1 − C10, William Acree, James Chickos
Phase Transition Enthalpy Measurements Of Organic And Organometallic Compounds. Sublimation, Vaporization And Fusion Enthalpies From 1880 To 2015. Part 1. C1 − C10, William Acree, James Chickos
Chemistry & Biochemistry Faculty Works
A compendium of phase change enthalpies published in 2010 is updated to include the period 1880–2015. Phase change enthalpies including fusion, vaporization, and sublimation enthalpies are included for organic, organometallic, and a few inorganic compounds. Part 1 of this compendium includes organic compounds from C1 to C10. Part 2 of this compendium, to be published separately, will include organic and organometallic compounds from C11 to C192. Sufficient data are presently available to permit thermodynamic cycles to be constructed as an independent means of evaluating the reliability of the data. Temperature adjustments of phase change enthalpies from the temperature of measurement …