Chemistry Commons^™

Synthesis Of Fatty Acid Binding Protein Inhibitors: A New Approach For Diabetes Treatment, Shekelia Baccus, M. Perry Davis Jr, David R. Magnin

Journal of the South Carolina Academy of Science

No abstract provided.

Generation Of A Retroviral Vector That Expresses An Anti-Hiv-1 Tat Hammerhead Ribozyme, Lindsey E. Padgett, William H. Jackson

Journal of the South Carolina Academy of Science

No abstract provided.

The Effect Of Incubation Time On The Generation Of Benzene In Sierra Mist Free, Sarah Law

Journal of the South Carolina Academy of Science

No abstract provided.

Downregulation Of Hiv-1 Vif By A Hammerhead Ribozyme Expressed From A Retroviral Vector, Audrey M. Hendley, William Jackson

Journal of the South Carolina Academy of Science

No abstract provided.

Effect Of Thaw Temperature On Murine Blastocyst Development, Heather M. Barton, H. Lee Higdon Iii, Ph.D., Jennifer E. Graves-Herring M.S., William R. Boone, Ph.D.

Journal of the South Carolina Academy of Science

No abstract provided.

The Effects Of Growing Method And The Food Processing System On Bacterial Concentration In Spinach, Thad S. Moore, Lisa W. Norman

Journal of the South Carolina Academy of Science

No abstract provided.

Temperature Changes Resulting From A Gaalas Laser In The Decontamination Of A Failing Dental Implant, Adam B. Oppenheimer

Journal of the South Carolina Academy of Science

No abstract provided.

Where Do Mouse Embryos Thrive Best? Comparison Of Mammalian Embryo Development Under Varying Laboratory Environments, Yvonne K. Kao, H. Lee Higdon Iii, Ph.D, Jennifer E. Graves-Herring , M.S., William R. Boone Ph.D

Journal of the South Carolina Academy of Science

No abstract provided.

Alterations Of Zinc Transporters In Alzheimer's Disease, Ganna Lyubartseva

University of Kentucky Doctoral Dissertations

Alzheimer’s disease (AD), one of the major causes of disability and mortality in Western societies, is a progressive age-related neurodegenerative disorder. Increasing evidence suggests the etiology of AD may involve disruptions of zinc (Zn) homeostasis. We hypothesize that disruption of Zn homeostasis leads to alterations of Zn transporter (ZnT) proteins, resulting in increased production of neurotoxic amyloid beta (Aβ) peptide in AD brain. To address this hypothesis we carried out the following studies.

1. We characterized alterations of ZnT-1, ZnT-4 and ZnT-6 in the brain of preclinical AD (PCAD) subjects, who show no overt clinical manifestations of AD but demonstrate …

Molecular Modeling Of Para-Benzyne And A Series Of Push-Pull [14]-Pyridoannulenes, Evan B. Wang

Honors Theses

Molecular modeling is vital for gaining insight into experimental results and discovering molecular properties not yet characterized by experiment. Depending on the type of molecule under investigation, certain methods will yield more accurate and revealing answers. In the first project, a state-averaged, multireference complete active space (CAS) approach was used for the determination of the vertical excitation energies of valence and Rydberg states of para-benzyne. Orbitals were generated with a 10- and 32-state averaged multiconfigurational self consistent field (MCSCF) approach. Electron correlation was included using multireference configuration interaction with singles and doubles (MR-CISD), including Pople correction for size extensivity (MR-CISD+Q), …

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, …

Vibrational Spectroscopy Of Isotopically Labeled Indoles And Electron Transfer Involving Indole (Tryptophan) Radicals, Senghane Dominique Dieng

Theses, Dissertations and Culminating Projects

Vibrational spectroscopy of tryptophan can be used as a probe for local protein conformation and to study protein electron transfer. For the interpretation of the vibrational spectra, the proper assignment of the vibrational bands to normal modes is essential. We report the experimentally measured infrared and Raman spectra of tryptophan, indole and 3-methylindole as well as of several of their isotope substituted forms; tryptophan indole-d₅ and -¹⁵N₂, and indole 2-¹³C. The effect of the exchange of the indole NH to ND on the vibrational spectra of these molecules was also determined. The measurements …

Partial Ion Yield Sspectroscopy Around The Cl 2p And C 1s Ionization Thresholds In Cf3cl, D. Ceolin, Maria Novella Piancastelli, Wayne C. Stolte, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

We present a partial ion yield experiment on freon 13, CF₃Cl, excited in the vicinity of the C 1s and Cl 2p ionization thresholds. We have collected a large amount of cationic fragments and a few anionic fragments at both edges. We have observed a strong intensity dependence of Rydberg transitions with ion fragment size for the CF_nCl⁺ and CF_n⁺/F⁺ (n=0–3) series at both the Cl 2p and C 1s ionization edges. Selectivity in the fragmentation processes involving the C–Cl and C–F bonds are highlighted by the intensities of the C …

Yttrium And Hydrogen Superstructure And Correlation Of Lattice Expansion And Proton Conductivity In The Bazr0.9y0.1o2.95 Proton Conductor, A. Braun, A. Ovalle, V. Pomjakushin, A. Cervellino, S. Erat, Wayne C. Stolte, T. Graule

Chemistry and Biochemistry Faculty Research

Bragg reflections in Y-resonant x-ray diffractograms of BaZr_0.9Y_0.1O_2.95 (BZY10) reveal that Y is organized in a superstructure. Comparison with neutron diffraction superstructure reflections in protonated/deuterated BZY10 suggests that both superstructures are linked, and that protons move in the landscape imposed by the Y. The thermal lattice expansion decreases abruptly for protonated BZY10 at T≥648±20 K, coinciding with the onset of lateral proton diffusion and suggesting a correlation of structural changes and proton conductivity. The chemical shift in the Y L₁-shell x-ray absorption spectra reveals a reduction from Y³⁺ toward Y²⁺ upon …

Effects Of Quantum Mechanics On The Deflagration Threshold In The Molecular Magnet Mn12 Acetate, F Macià, J M. Hernandez, J Tejada, S Datta, S Hill, Christos Lampropoulos, G Christou

Chemistry Faculty Research and Scholarship

We report experimental studies of the stability of a Mn₁₂-Ac crystal against magnetic avalanches as a function of the magnitude and direction of the magnetic field, as well as a function of temperature. Strong evidence for quantum effects associated with this phenomenon is seen in the (H_z,H_x) metastability diagram. The data provide further support to the theory of magnetic deflagration.

Crystal Lattice Desolvation Effects On The Magnetic Quantum Tunneling Of Single-Molecule Magnets, G Redler, Christos Lampropoulos, S Datta, C Koo, T C. Stamatatos, N E. Chakov, G Christou, S Hill

Chemistry Faculty Research and Scholarship

High-frequency electron paramagnetic resonance (HFEPR) and alternating current (ac) susceptibility measurements are reported for a new high-symmetry Mn₁₂ complex, [Mn₁₂O₁₂(O₂CCH₃)₁₆(CH₃OH)₄]⋅CH₃OH. The results are compared to those of other high-symmetry spin S=10 Mn₁₂ single-molecule magnets (SMMs), including the original acetate, [Mn₁₂(O₂CCH₃)₁₆(H₂O)₄]⋅2CH₃CO₂H⋅4H₂O, and the [Mn₁₂O₁₂(O₂CCH₂Br)₁₆(H₂O)₄]⋅4CH₂Cl₂ and [Mn₁₂O …

Alignment Of Magnetic Anisotropy Axes In Crystals Of Mn12 Acetate And Mn12-Tbuac Molecular Nanomagnets: Angle-Dependent Ac Susceptibility Study, E Burzurí, Ch Carbonera, F Luis, D Ruiz-Molina, Christos Lampropoulos, G Christou

Chemistry Faculty Research and Scholarship

We report the results of angular-dependent ac susceptibility experiments performed on two derivatives of Mn₁₂ single-molecular magnets: the well-known Mn₁₂ acetate, which contains disordered acetic acid molecules in interstitial sites of the crystal structure and Mn₁₂-tBuAc, for which solvent molecules are very well ordered in the structure. Our results show (a) that the angular variation is very similar in the two compounds investigated and compatible with a maximum misalignment of the anisotropy axes of less than 3° and (b) that the tunneling rate is faster for the better ordered Mn₁₂-tBuAc compound. These experiments question …

Microwave Synthesis Of Cis-Dichlorotetrakis(Dimethylsulfoxide)Ruthenium(Ii), A. Harvey, Mark Draganjac, S. Chui, R. Snell, E. Benjamin

Journal of the Arkansas Academy of Science

No abstract provided.

6-Ketomethyl Phenanthridine As A New Carrier In The Construction Of A Highly Selective Fe(Iii) Ion-Selective Membrane Electrode, R. Maleki, Reza Hosseinzadeh, Hossein Mehrabi, Ali Hassanzadeh, Khalil Farhadi

Turkish Journal of Chemistry

A new Fe^{3+} ion-selective membrane electrode based on 6-ketomethyl phenanthridine (6-KMPT) and 1-(4-dimethyl aminophenyl)-2-(5H-phenanthridine-6-ylidene)-ethanone, which were incorporated in a plasticized polyvinyl chloride (PVC) membrane, is described. The optimized membrane demonstrated a linear dynamic range of 5.2 \times 10^{-6}-1.0 \times 10^{-2} M, with a near Nernstian slope of 19.5 \pm 1.5 mV per decade and a detection limit of 1.2 \times 10^{-6} M. The electrode showed high selectivity for Fe^{3+} ions in comparison to other metal ions. The effect of membrane composition on the potential response of the electrode was studied. The best performance was observed for the membrane comprised of …

Synthesis And Leishmanicidal Evaluation Of Novel 4-Substituted-2,2-Dimethyl-7-(Prop-2-Ynyloxy)Chromenes, Babak H. Alizadeh, Alireza Foroumadi, Susan K. Ardestani, Fatemeh Poorrajab, Abass Shafiee

Turkish Journal of Chemistry

Substituted 4-chromenes were synthesized via the Grignard coupling reaction of various substituted phenyl- and benzylmagnesium chlorides with 2,2-dimethyl-7-(prop-2-ynyloxy)chroman-4-one (1) in relatively good yield (60%-85%). The benzylic-substituted derivatives were a mixture of 2 exo and endo regioisomers, and the exo compounds were a mixture of E and Z isomers. Structural analysis of the exo and endo isomers, as well as E and Z of exo isomers were based on H-NMR, ^{13}C-NMR, and NOESY experiments. The synthetic compounds were examined for in vitro activity against Leishmania major and compound 9 (a, b) was the most active, with inhibitory activity of 36%.

Ctab-Assisted Hydrothermal Synthesis And Magnetic Characterization Of Ni_Xco_{1-X}Fe_2o_4 Nanoparticles (X = 0.0, 0.6, 1.0), Abdulhadi̇ Baykal, Nermi̇n Kasapoğlu, Zehra Durmuş, Hüseyi̇n Kavas, Muhammet S. Toprak, Yüksel Köseoğlu

Turkish Journal of Chemistry

Nickel ferrite, Ni_xCo_{1-x}Fe_2O_4, NPs (where x = 0.0, 0.6 and 1.0) were successfully synthesized by a rapid and reproducible CTAB-assisted hydrothermal route. The influence of different hydrolyzing agents on the particle size and magnetic behavior of Ni_xCo_{1-x}Fe_2O_4 NPs was investigated. Particles showed very high phase purity and crystallinity in powder XRD analysis. Compositions of Co, Fe, and Ni in fabricated powders were also determined by AAS and results are in very good agreement with the targeted compositions. Samples hydrolyzed using NH_3 showed no significant changes in the particle size and morphology. NH_3 hydrolyzed samples were much smaller than their NaOH …

Synthesis And Characterization Of Tetraoxime Ligand, Bis-[(2e,3e,2´E)-3,3´-(1,2-Phenylene-Dinitrilo)Dibutan-2-One Dioxime] And Its Dinuclear And Tetranuclear Copper(Ii)/Nickel(Ii) Complexes, Nevi̇n Karaböcek, Pinar Ekmekçi̇oğlu, Asligül Küçükdumlu, Serdar Karaböcek

Turkish Journal of Chemistry

A new tetraoxime, (H_4L), was prepared in EtOH by reacting biphenyl-3,3´,4,4´-tetramine with butane-2,3-dione oxime. The tetraoxime ligand was characterized by elemental analyses, H-NMR and ^{13}C-NMR, IR, and mass spectral studies. Dinuclear copper(II), nickel(II) and tetranuclear copper(II) complexes of tetraoxime ligand were prepared and characterized by elemental analyses, magnetic moments, IR, and mass spectral studies. In the dinuclear metal complexes, metal:ligand ratio was found as 2:1. Elemental analyses and stoichiometric and spectroscopic data of the metal complexes indicated that the metal ions were coordinated to the nitrogen atoms of oxime groups (C=N). In addition, total energy and heat formation for ligand …

A Mild Method For The Cleavage Of Ketals Using Ibx, Abdul Rauf Raza

Turkish Journal of Chemistry

Investigation on the total synthesis of batrachotoxin 1 revealed that the cyclic ketals could be cleaved to ketone with IBX in DMSO at 70-81 °C under very mild conditions. A variety of functional groups showed no interference under these conditions except vinyl bromides, which, in fact, inhibits the single electron transfer to IBX.

A Density Functional Theory Study Of Oxidation Of Benzene To Phenol By N_2o On Fe- And Co-Zsm-5 Clusters, Mehmet Ferdi̇ Fellah, Işik Önal

Turkish Journal of Chemistry

Density functional theory (DFT) calculations were carried out in the study of oxidation of benzene to phenol by N_2O on relaxed [(SiH_3)_4AlO_4M] (where M=Fe, Co) cluster models representing Fe- and Co-ZSM-5 surfaces. The catalytic cycle steps are completed for both Fe-ZSM-5 and Co-ZSM-5 clusters. The general trend of the results that were obtained in terms of activation barriers for the Fe-ZSM-5 cluster is in agreement with the experimental and theoretical literature. It was observed that the phenol formation step is the rate-limiting step for both clusters and Co-ZSM-5 surface has a lower activation barrier than the Fe-ZSM-5 surface (i.e. 35.82 …

Synthesis And Evaluation Of Phenytoin Derivatives As Anticonvulsant Agents, Meenakshi Deodhar, Pravin Sable, Ashok Bhosale, Kapil Juvale, Rahul Dumbare, Pramod Sakpal

Turkish Journal of Chemistry

2,5-Dioxo-4,4-diphenylimidazolidine-1-carboxylic acid (2) was reacted with methyl ester of different amino acids (1a-c) and substituted benzhydrols (3a-b) in pyridine and in the presence of N,N dicyclohexyl carbodiimide (DCC) to yield a series of the title compounds, methyl 2-(2,5-dioxo-4,4-diphenylimidazolidine-1-carboxamido) substituted propanoate (4a-c) and benzhydryl 2,5-dioxo-4,4-diphenyl imidazolidine-1-carboxylate (5a-b). The structures of these compounds were established on the basis of their spectral (IR, ^1H-NMR) data. These newly synthesized derivatives of phenytoin were evaluated in terms of anticonvulsant activity.

One-Pot Synthesis Of Amidoalkyl Naphthols Using Nahso_4.Sio_2 As An Efficient And Recyclable Heterogeneous Catalyst, Hamid Reza Shaterian, Hossein Yarahmadi, Majid Ghashang

Turkish Journal of Chemistry

An efficient synthesis of amidoalkyl naphthols using silica supported sodium hydrogen sulphate as heterogeneous catalyst under a thermal solvent-free green procedure is described. This simple protocol offer advantages such as shorter reaction times, simple work-up, excellent yield, and recovery and reusability of the catalyst.

Photochemical Bromination Of Substituted Indan-1-One Derivatives: Synthesis Of New Polybromoindan-1-One Derivatives, Nermi̇n Şi̇mşek Kuş

Turkish Journal of Chemistry

The photobromination of substituted indan derivatives was studied. Four products, 2,3-dibromo-inden-1-one (5), trans-2,3-dibromoindan-1-one (6), 2,2-dibromoindan-1,3-dione (7) and 2,2-dibromoindan-1-one (8), were obtained by the bromination of indan-1-one (4). The bromination of 2-methyl indanone (9) and 3-methyl-indanone (13) gave the corresponding monobromo, dibromo, and tribromo compounds in high yield. 4-Nitro indan (16) was tribrominated under same condition reaction. The structures of these products were determined from ^1H-NMR, ^{13}C-NMR, MS, and IR data.

Performance Analysis For Direct 2-Propanol Fuel-Cell Based On Pt Containing Anode Electrocatalysts, Ni̇yazi̇ Alper Tapan, Ezgi̇ Öztürk

Turkish Journal of Chemistry

Direct 2-propanol cell performance based on Pt containing anode electrocatalyst was evaluated. Cell performance, open circuit voltage, maximum current density, and maximum power density were measured at various alcohol concentrations and cell temperatures. 2-propanol fuel cell shows the highest performance at 1 M concentration and 80 °C operating temperature. The highest practical efficiency (at the maximum power density) was found at 2 M 2-propanol concentration and 60 °C operating temperature. Parameter estimation was performed by non-linear least squares method using the Levenberg Marquardt algorithm. According to the parametric analysis, cross-over current was minimum for 0.5 M 2-propanol concentration at 40 …

Dynamic ^1h-Nmr Demonstration Of Anomeric Effect And Structure: Conformational And Configurational Analysis Of N-2-(1,4-Dioxane)-N'-(P-Methylbenzenesulfonyl)- O-(P-Methylphenoxy) İsourea, Ali Reza Modarresi-Alam, Hossein A. Dabbagh

Turkish Journal of Chemistry

The conformational and configurational behavior and the structure of N-2-(1,4-dioxane)-N'-(p-methylbenzenesulfonyl)-O- (p-methylphenoxy) isourea (1) were studied using dynamic NMR. The endo-anomeric effect, hydrogen bonding, temperature, and polarity of solvent control the population of dioxane ring conformers or anomers but not the configuration interconversion of the imine of the imidoyl moiety. Dynamic ^1H-NMR, \Delta H°, \Delta S°, \Delta G°, and \Delta G^{\ddag} analysis of 1 demonstrates that the dioxane ring adopts the chair conformation, that the imidoyl amino group prefers axial conformation, and that the tosyl and tolyl groups about the C=N bond retain the E configuration.

Secondary Metabolites From Nepeta Heliotropifolia, Zühal Güvenalp, Hi̇lal Özbek, Ayşe Kuruüzüm-Uz, Cavi̇t Kazaz, L. Ömür Demi̇rezer

Turkish Journal of Chemistry

Two iridoid glycosides, ixoroside (1) and nepetanudoside B (2); 1 phenylpropanoid glycoside, coniferine (3); 2 flavone glycosides, apigenin 7-O-glucuronide (4) and apigenin 7-O-glucopyranoside (5); 2 triterpenes, oleanolic acid (6) and ursolic acid (7); and 1 sterol, \beta-sitosterol (8), were isolated from the aerial parts of Nepeta heliotropifolia Lam. (Lamiaceae). Their structures were identified by means of spectroscopic methods (1D- and 2D-NMR, UV, and EIMS).