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Structural And Thermodynamic Anaylsis Of Self-Assembled Dna Cross-Tiles, Lauren Hakker Jan 2012

Structural And Thermodynamic Anaylsis Of Self-Assembled Dna Cross-Tiles, Lauren Hakker

Legacy Theses & Dissertations (2009 - 2024)

A thermodynamic and structural analysis of DNA nanostructures was performed, following the replacement of the unpaired thymine bases within a central loop to determine their effect on the self-assembly process. Specifically this study focused on DNA cross-tile nanostructures. Self-assembly of DNA cross-tiles occurs by means of Watson-crick base-pairing interactions between designed single-stranded DNAs from which lattice structures assemble through sticky-end cohesion. These cross-tile structures were constructed from nine single-stranded DNAs and consisted of a central loop containing 16 unpaired thymine bases, four shell strands, and four arms. Modifications were introduced to replace the central unpaired thymine base loop. The modifications …


Interactions Of The Human Immunodeficiency Virus Type 1 Nucleocapsid Protein With Non-Hiv-Derived Nucleic Acids : Implications For The Viral Replication Cycle, Abhijit Padmakar Jadhav Jan 2012

Interactions Of The Human Immunodeficiency Virus Type 1 Nucleocapsid Protein With Non-Hiv-Derived Nucleic Acids : Implications For The Viral Replication Cycle, Abhijit Padmakar Jadhav

Legacy Theses & Dissertations (2009 - 2024)

During attempts to develop aptamers that bind to the nucleocapsid protein of HIV-1 (i.e. NCp7) with high affinity, a heretofore unreported property of the protein--the ability to mediate degradation of nucleic acids, was discovered. Using λ DNA as a model nucleic acid system, it was shown that NCp7-mediated degradation of nucleic acids is non-specific, depends on incubation time, the concentration of NCp7, and the presence of divalent and monovalent cations. It was further demonstrated that degradation can be abrogated if NCp7 is pre-incubated with NCp7-inhibitors. Lyophilization of NCp7 can induce irreversible changes in its secondary structure that result in loss …


The Application Of Raman Spectroscopy As A Confirmatory Blood Test In The Presence Of Sodium Hypochlorite Cleaners In In Comparison With Presumptive Blood Tests, Aliea Anoshaa Afnan Jan 2012

The Application Of Raman Spectroscopy As A Confirmatory Blood Test In The Presence Of Sodium Hypochlorite Cleaners In In Comparison With Presumptive Blood Tests, Aliea Anoshaa Afnan

Legacy Theses & Dissertations (2009 - 2024)

Popular presumptive tests for blood include: Luminol, tetramethylbenzidine (TMB), leucomalachite green (LMG), phenolphthalein, and Hemastix® [3]. These presumptive tests have been reviewed with respect to their sensitivity, specificity, and DNA degradation. In this study, the aforementioned presumptive tests were subjected to bloodstains deposited on cotton contaminated with all-purpose bleach and compared with Raman spectroscopy as an application of a confirmatory blood test. Samples were tested for interference with the all-purpose bleach to determine the selectivity of the presumptive tests. Tetramethylbenzidine, leucomalachite green, and phenolphthalein all yielded inconclusive results when applied to a contaminated sample. Luminol and Hemastix® yielded a positive …


Amyloid Fibril Polymorphism : Structure, Supramolecular Chiraliy And Spontaneous Interconversion, Dzmitry Kurouski Jan 2012

Amyloid Fibril Polymorphism : Structure, Supramolecular Chiraliy And Spontaneous Interconversion, Dzmitry Kurouski

Legacy Theses & Dissertations (2009 - 2024)

Specific protein aggregation has been linked to more than 25 severe human maladies including prion, Alzheimer's, and Parkinson's diseases. These important malfunctions are often referred to as 'conformational' disorders and result from the conversion of a normal isoform of a protein into a specific b-sheet rich polymeric amyloid form. This work elaborates a comprehensive characterization of amyloids and dedicated to the investigation of the fibril polymorphism using advanced microscopic tools, such as Atomic Force and Scanning Electron microcopies, together with several vibrational spectroscopy techniques, such as Raman, Infrared and Vibrational Circular Dichroism. A new type of protein folding-aggregation phenomenon, spontaneous …


Synthesis And Characterization Of Transition Metal Coordination Polymers Derived From 1,4-Benzenedicarboxylate And Certain Azoles, Aref A. M. Aly, Mahmoud Ghandour, Maged S. Alfakeh Jan 2012

Synthesis And Characterization Of Transition Metal Coordination Polymers Derived From 1,4-Benzenedicarboxylate And Certain Azoles, Aref A. M. Aly, Mahmoud Ghandour, Maged S. Alfakeh

Turkish Journal of Chemistry

A series of coordination polymers of the general formula {[M(BDC)(azoles)(H_2O)_m].xH_2O}_n (where M = Co(II), Ni(II), and Cu(II); BDC = 1,4-benzenedicarboxylate; azoles = 2-aminobenzothiazole, 2-aminothiazole, and 2-amino-4-methyl-thiazole; m = 0 or 1; and x = 1 or 2) were prepared and characterized. The complexes were characterized based on elemental analysis, infrared and electronic spectral studies, magnetic measurements, molar conductance, thermal analysis, X-ray diffraction, scanning electron microscopy, and biological activity. Thermogravimetry, derivative thermogravimetry, and differential thermal analysis were used to study the thermal decomposition of the complexes. The kinetic parameters were calculated making use of the Coats-Redfern and Horowitz-Metzger equations.


Four-Component Synthesis Of 1,3,4-Oxadiazole Derivatives From N-Isocyaniminotriphenylphosphorane, Aromatic Carboxylic Acids, Aromatic Bis-Aldehydes, And Secondary Amines, Ali Ramazani, Zahra Karimi, Ali Souldozi, Yavar Ahmadi Jan 2012

Four-Component Synthesis Of 1,3,4-Oxadiazole Derivatives From N-Isocyaniminotriphenylphosphorane, Aromatic Carboxylic Acids, Aromatic Bis-Aldehydes, And Secondary Amines, Ali Ramazani, Zahra Karimi, Ali Souldozi, Yavar Ahmadi

Turkish Journal of Chemistry

The 1:1 iminium intermediate generated by the addition of a secondary amine to aromatic bis-aldehydes (isophthalaldehyde and terphthalaldehyde) is trapped by the N-isocyaniminotriphenylphosphorane in the presence of a aromatic carboxylic acid derivative, which leads to the formation of corresponding iminophosphorane intermediate. Then disubstituted 1,3,4-oxadiazole derivatives are formed via intramolecular aza-Wittig reaction of the iminophosphorane intermediates. The reactions were completed in neutral conditions at room temperature and the corresponding disubstituted 1,3,4-oxadiazole derivatives were produced in excellent yields.


A Dft Study On The Structural And Optical Properties And Cation Selectivities Of Some Metal-Coumarin-Crown Ether Complexes, Emi̇ne Esra Kasapbaşi, Mi̇ne Yurtsever Jan 2012

A Dft Study On The Structural And Optical Properties And Cation Selectivities Of Some Metal-Coumarin-Crown Ether Complexes, Emi̇ne Esra Kasapbaşi, Mi̇ne Yurtsever

Turkish Journal of Chemistry

Macrocyclic ethers are well-known molecules because of their high cation-binding capacities. They form stable complexes with alkaline and soil alkaline metals through strong oxygen bridges in solution. For enhanced optical properties, a new series of crown ethers was synthesized with a coumarin ring fused to it. The effects of the position of the coumarin ring, the type of the substituent on the coumarin ring, and the size of the crown on the optical properties of the material were studied according to the density functional theory (DFT) method at the B3LYP/6-31g(d) level of theory in the gas phase as well as …


Synthesis, Characterization, And Microwave-Promoted Catalytic Activity Of Novel Benzimidazole Salts Bearing Silicon-Containing Substituents In Heck-Mizoroki And Suzuki-Miyaura Cross-Coupling Reactions Under Aerobic Conditions, Hasan Küçükbay, Ni̇hat Şi̇reci̇, Ülkü Yilmaz, Selma Deni̇z, Mehmet Akkurt, Zeli̇ha Baktir, Orhan Büyükgüngör Jan 2012

Synthesis, Characterization, And Microwave-Promoted Catalytic Activity Of Novel Benzimidazole Salts Bearing Silicon-Containing Substituents In Heck-Mizoroki And Suzuki-Miyaura Cross-Coupling Reactions Under Aerobic Conditions, Hasan Küçükbay, Ni̇hat Şi̇reci̇, Ülkü Yilmaz, Selma Deni̇z, Mehmet Akkurt, Zeli̇ha Baktir, Orhan Büyükgüngör

Turkish Journal of Chemistry

A number of benzimidazole derivatives (1-8) were synthesized and the catalytic activity of these compounds in a catalytic system including Pd(OAc)_2 and K_2CO_3 in DMF-H_2O was evaluated in Heck-Mizoroki and Suzuki-Miyaura cross-coupling reactions of aryl iodides, bromides, and chlorides with styrene and arylboronic acids under microwave irradiation and aerobic conditions. The yields of both the Heck-Mizoroki and the Suzuki-Miyaura cross coupling reactions with aryl iodides and aryl bromides were nearly quantitative. The synthesized 1-substituted benzimidazole (1) and benzimidazole salts (2-8) were identified by ^1H- and ^{13}C-NMR and IR spectroscopic methods, and micro analysis. The molecular structure of 7 was also …


^{99m}Tc Labeled Levofloxacin As An Infection Imaging Agent: A Novel Method For Labeling Levofloxacin Using Cysteine\Cdot Hcl As Co-Ligand And In Vivo Study, Syed Ali Raza Naqvi, Malik Muhammad Ishfaq, Zulfiqar Ali Khan, Saeed Ahmad Nagra, Iftikhar Hussain Bukhari, Abdullah Ijaz Hussain, Nasir Mahmood, Sohail Anjum Shahzad, Asma Haque, Tanveer Hussain Bokhari Jan 2012

^{99m}Tc Labeled Levofloxacin As An Infection Imaging Agent: A Novel Method For Labeling Levofloxacin Using Cysteine\Cdot Hcl As Co-Ligand And In Vivo Study, Syed Ali Raza Naqvi, Malik Muhammad Ishfaq, Zulfiqar Ali Khan, Saeed Ahmad Nagra, Iftikhar Hussain Bukhari, Abdullah Ijaz Hussain, Nasir Mahmood, Sohail Anjum Shahzad, Asma Haque, Tanveer Hussain Bokhari

Turkish Journal of Chemistry

Levofloxacin was labeled with ^{99m}Tc using cysteine\cdot HCl as co-ligand and SnCl_2.2H_2O as reducing agent. The influence of various parameters such as amount of cysteine\cdot HCl, reducing agent, pH value, and reaction time on labeling process was studied. After optimizing the conditions the labeling was performed at pH 5 using 1 mg of levofloxacin, 500 \mu g of cysteine\cdot HCl, 50 \mu g of SnCl_2.2H_2O, and 15 min reaction time. The radiochemical purity was determined with the help of instant thin layer chromatography (ITLC) and reverse phase high performance liquid chromatography (RP-HPLC) which was more than 95% and was stable …


Simultaneous Determination Of Cr(Iii) And Cr(Vi) Using Differential Pulse Polarography And Application To Gerede River, Olcay Şendi̇l, Nabeel Mohammed, Güler Somer Jan 2012

Simultaneous Determination Of Cr(Iii) And Cr(Vi) Using Differential Pulse Polarography And Application To Gerede River, Olcay Şendi̇l, Nabeel Mohammed, Güler Somer

Turkish Journal of Chemistry

Determination of Cr(III) in the presence of Cr(VI) from one polarogram is not easy. No such procedure was found in the literature. In polarographic studies Cr(III) had a peak only in acidic medium, while Cr(VI) had either 1 or 2 peaks in both acidic and basic solutions. In solutions that contain these 2 ions, the peak obtained in acidic medium for Cr(III) will be the sum of both ions. Thus, Cr(III) cannot be determined directly from one polarogram. In this work, a new and simple polarographic method is established for the determination of Cr(III) and Cr(VI) by using only one …


Competitive Hydrogen Bonding In Aspirin-Aspirin And Aspirin-Leucine Interactions, Zeynep Yurtsever, Burak Erman, İsmai̇l Ersi̇n Yurtsever Jan 2012

Competitive Hydrogen Bonding In Aspirin-Aspirin And Aspirin-Leucine Interactions, Zeynep Yurtsever, Burak Erman, İsmai̇l Ersi̇n Yurtsever

Turkish Journal of Chemistry

Aspirin-aspirin and aspirin-leucine interactions are studied by the density functional theory (DFT) and high level ab initio calculations with second order Moller-Plesset perturbation theory (MP2). The rotational isomers of aspirin are identified by their relative stability both in gaseous phase and in water using the polarizable continuum method (PCM). Local minima of aspirin monomers in water are found to be all highly populated compared to the gas phase behavior. Homodimers of aspirin form hydrogen bonds with bond energies of 10 kcal/mol. Weak hydrogen bonds utilizing phenyl and methyl groups are also found. The interaction between aspirin and leucine is stronger …


The Reaction Of Dialkyl Acetylenedicarboxylates With 2-Oxo-2-Phenylacetaldehyde In The Presence Of Primary Amines: Synthesis Of Alkyl 2-Benzoyl-4-Alkylamino-5-Oxo-2,5-Dihydro-3-Furan Carboxylate Derivatives, Javad Safaei Ghomi, Fariba Salimi, Ali Ramazani, Fatemeh Zeinali Nasrabadi, Yavar Ahmadi Jan 2012

The Reaction Of Dialkyl Acetylenedicarboxylates With 2-Oxo-2-Phenylacetaldehyde In The Presence Of Primary Amines: Synthesis Of Alkyl 2-Benzoyl-4-Alkylamino-5-Oxo-2,5-Dihydro-3-Furan Carboxylate Derivatives, Javad Safaei Ghomi, Fariba Salimi, Ali Ramazani, Fatemeh Zeinali Nasrabadi, Yavar Ahmadi

Turkish Journal of Chemistry

A 3-component domino reaction approach between a primary amine, a dialkyl acetylenedicarboxylate, and 2-oxo-2- phenylacetaldehyde that affords novel alkyl 2-benzoyl-4-alkylamino- 5-oxo-2,5-dihydro-3-furan carboxylate derivatives is reported. The reaction sequence consists of an initial Michael addition of primary amines to dialkyl acetylenedicarboxylates, followed by an aldol-like reaction with 2-oxo-2-phenylacetaldehyde, and then \gamma -lactonization to afford the products. This cascade reaction sequence represents a rapid and unprecedented route to the described biologically interesting molecules.


Synthesis And Cytotoxic Evaluation Of Uracil C-Mannich Bases, Hüseyi̇n İstanbullu, Istvan Zupko, Vi̇ldan Alptüzün, Erçi̇n Erci̇yas Jan 2012

Synthesis And Cytotoxic Evaluation Of Uracil C-Mannich Bases, Hüseyi̇n İstanbullu, Istvan Zupko, Vi̇ldan Alptüzün, Erçi̇n Erci̇yas

Turkish Journal of Chemistry

This study covers the design, synthesis, characterization, and cytotoxic activity of a series of uracil C-Mannich bases. Among them, one hybrid compound (1), a molecular combination of the potential antimetabolite substituted uracil and nitrogen mustard, having potential alkylating capability, was prepared as a Mannich base. The other compound was synthesized with the replacement of chlorines in the ethyl chains with hydroxyl groups for testing for anticancer activity. Some of Mannich bases having several amino groups with different pKa values were also synthesized and investigated in terms of cytotoxic activity. Their chemical structures were confirmed by means of their UV, IR, …


Synthesis And Structural Characterization Of Novel Square Pyramidal Oxovanadium(Iv) Complexes With Ligands Having N And O Donor Atoms, Ashok Kumar Yadava, Hardeo Singh Yadav, Uma Shanker Yadav, Devendra Pratap Rao Jan 2012

Synthesis And Structural Characterization Of Novel Square Pyramidal Oxovanadium(Iv) Complexes With Ligands Having N And O Donor Atoms, Ashok Kumar Yadava, Hardeo Singh Yadav, Uma Shanker Yadav, Devendra Pratap Rao

Turkish Journal of Chemistry

Oxovanadium(IV) complexes having the general formula [VO(L)] were designed and synthesized using vanadyl ion as kinetic template with ligands derived by condensation of \beta-diketones such as acetylacetone, benzoylacetone, thenoyltrifluoroacetone, and dibenzoylmethane with 2-amino-3-hydroxypyridine or 2-aminobenzoic acid or 2-aminonicotinic acid. Tentative structures of the complexes were proposed on the basis of elemental analysis, molar conductance, magnetic moments, and spectral (infrared, electronic and electron spin resonance) data. All the oxovanadium(IV) complexes are 5-coordinated wherein derived ligands act as tetradentate chelating agents.


Determination Of Ascorbic Acid By A Modified Multiwall Carbon Nanotube Paste Electrode Using Cetrimonium Iodide/Iodine, Meissam Noroozifar, Mozhgan Khorasani Motlagh, Hamed Tavakoli Jan 2012

Determination Of Ascorbic Acid By A Modified Multiwall Carbon Nanotube Paste Electrode Using Cetrimonium Iodide/Iodine, Meissam Noroozifar, Mozhgan Khorasani Motlagh, Hamed Tavakoli

Turkish Journal of Chemistry

A new modified graphite-multiwall carbon nanotube paste electrode for the determination of ascorbic acid (AA) based on cetrimonium iodide-iodine is described. The electrochemical response characteristics of the modified electrode toward AA were investigated by cyclic voltammetry (CV) and differential pulse voltammetry (DPV) in phosphate buffer solution (pH 2.0). When compared to activated carbon, graphite, and multiwall carbon nanotube paste electrode containing new modifier, the proposed modified paste electrode not only shifted the oxidation potential of AA towards less positive potential but also enhanced its oxidation peak current. Further, the oxidation of AA was highly stable at the modified paste electrode. …


A One-Pot Efficient Four-Component Reaction For The Synthesis Of 2-(Arylamino)-2-(5-Aryl-1-Ethenyl-1,3,4-Oxadiazol-2-Yl)Propyl Benzoate (Or 4-Bromobenzoate) Derivatives, Mohsen Valizadeh Holagh, Abel Mohammadali Oglu Maharramov, Mirza Aliakbar Oglu Allahverdiyev, Ali Ramazani, Yavar Ahmadi, Fatemeh Zeinali Nasrabadi, Ali Souldozi Jan 2012

A One-Pot Efficient Four-Component Reaction For The Synthesis Of 2-(Arylamino)-2-(5-Aryl-1-Ethenyl-1,3,4-Oxadiazol-2-Yl)Propyl Benzoate (Or 4-Bromobenzoate) Derivatives, Mohsen Valizadeh Holagh, Abel Mohammadali Oglu Maharramov, Mirza Aliakbar Oglu Allahverdiyev, Ali Ramazani, Yavar Ahmadi, Fatemeh Zeinali Nasrabadi, Ali Souldozi

Turkish Journal of Chemistry

Reactions of N-isocyaniminotriphenylphosphorane with 2-oxopropyl benzoate (or 2-oxopropyl 4-bromobenzoate) in the presence of 3-phenyl-2-propynoic acid and primary amines proceeded smoothly at room temperature and in neutral conditions to afford sterically congested 1,3,4-oxadiazole derivatives in high yields. The reaction proceeded smoothly and cleanly under mild conditions and no side reactions were observed.


Synthesis And Antimicrobial Activity Of Some Novel 4-Hydroxyquinolin-2(1h)-Ones And Pyrano[3,2-C] Quinolinones From 3-(1-Ethy1-4-Hydroxy-2-Oxo-1,2-Dihydroquinolin-3-Yl)-3-Oxopropanoic Acid, Hany Mohamed Hassanin, Magdy Ahmed Ibrahim, Youssef Abdel-Salam Alnamer Jan 2012

Synthesis And Antimicrobial Activity Of Some Novel 4-Hydroxyquinolin-2(1h)-Ones And Pyrano[3,2-C] Quinolinones From 3-(1-Ethy1-4-Hydroxy-2-Oxo-1,2-Dihydroquinolin-3-Yl)-3-Oxopropanoic Acid, Hany Mohamed Hassanin, Magdy Ahmed Ibrahim, Youssef Abdel-Salam Alnamer

Turkish Journal of Chemistry

Chlorination, bromination, and condensation reactions of 3-(1-ethy1-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-3-oxopropanoic acid (3) were studied. Some novel 4-hydroxyquinolin-2(1H)-ones and pyrano[3,2-c]quinolin-2(1H)-ones were also prepared. The structures of the novel compounds were established by elemental analyses and spectral data. All the products were also screened in vitro for their antimicrobial activity.


Synthesis And Characterization Of Bis(Azine) Ligands And Metal Complexes: Dna-Interaction And Extraction Properties For Metals And Dichromate Anions, Sultan Kulaksizoğlu, Cansu Gökçe, Ramazan Güp Jan 2012

Synthesis And Characterization Of Bis(Azine) Ligands And Metal Complexes: Dna-Interaction And Extraction Properties For Metals And Dichromate Anions, Sultan Kulaksizoğlu, Cansu Gökçe, Ramazan Güp

Turkish Journal of Chemistry

Two new bis(bidentate) azine ligands were prepared by linking (1Z,1'Z)-1,1'-{butane-1,4-diylbis[oxyben-zene-4,1- diyl(1Z)eth-1-yl-1-ylidene]}dihydrazine to salicylaldehyde and pyridine-2-carbaldehyde, 1,4-bis{4-{(1E)-1-((2E)-(2- hydroxybenzene--2-ylmethy-lidene)hydrazonylidene)ethyl}phenoxy}butane (H_2L^1), and 1,4-bis{4-{(1E)-1-((2E)-(pyridine--2-ylmethylidene) hydrazonylidene)ethyl}phenoxy}butane (L^2), respecti- vely. Two kinds of copper(II) and nickel(II) complexes with different ligands were prepared. Reaction of H_2L^1 with Cu(II) and Ni(II) acetate with 1:1 molar ratio gave double stranded binuclear bis(azine) complexes with stoichiometry [M(L^1)]_2 containing {M^{II}N_2O_2} centers. On the other hand, 1:1 molar ratio reaction of Cu(II) and Ni(II) chloride with L^2 yielded mononuclear metal complexes with general stoichiometry [M(L^2)Cl_2] containing {M^{II}N_2N_2} centers. The structures of both bis(azine) ligands and complexes were identified by elemental analysis, infrared …


Synthesis Of Antipyrine/Pyridazinone Hybrids And Investigation Of Their In Vivo Analgesic And Anti-Inflammatory Activities, Sultan Baytaş, Nazan İnceler, Khatereh Fattahpour Mavaneh, Meci̇t Orhan Uludağ, Nuretti̇n Abacioğlu, Mehtap Gökçe Jan 2012

Synthesis Of Antipyrine/Pyridazinone Hybrids And Investigation Of Their In Vivo Analgesic And Anti-Inflammatory Activities, Sultan Baytaş, Nazan İnceler, Khatereh Fattahpour Mavaneh, Meci̇t Orhan Uludağ, Nuretti̇n Abacioğlu, Mehtap Gökçe

Turkish Journal of Chemistry

Eleven antipyrine/pyridazinone hybrids were synthesized and evaluated for their in vivo analgesic and anti-inflammatory activities by p-benzoquinone-induced writhing test and carrageenan-induced paw edema model, respectively. The test results indicated that compounds 6a, 6c, and 6d were equally or more potent analgesic and anti-inflammatory agents than aspirin and indomethacin, respectively. Side effects of the compounds were examined on gastric mucosa. Most of the compounds were found to be non-ulcerogenic under test conditions.


Chemical And Biotransformation Of Gelomulide F: A Rare Diterpene Lactone, Humaira Yasmeen Gondal, Muhammad Iqbal Choudhary Jan 2012

Chemical And Biotransformation Of Gelomulide F: A Rare Diterpene Lactone, Humaira Yasmeen Gondal, Muhammad Iqbal Choudhary

Turkish Journal of Chemistry

Chemical and biotransformations of a rare diterpene lactone, Gelomulide F (1), from the cytotoxic extract of leaves of Suregada multiflora were studied. Fermentation of compound 1 with Sachromyces cerevisiae transformed it to Gelomulide D (2) and E (3), whereas its treatment with 2N KOH yielded Gelomulide D (2). In addition, a novel compound (4) was obtained by its diastereo and chemoselective reduction with NaBH_4. All of these compounds were characterized on the basis of extensive ^1H-NMR, ^{13}C-NMR, 2D NMR, and mass spectral analyses.


Bifunctionalized Linked Bis-Spiro[Furo[2,3-D]Pyrimidine-6,5'- Pyrimidine]2,2',4,4',6'(3h,3'H,5h)-Pentaones Derived From One-Pot Reaction Of (Thio)Barbituric Acids With Aromatic Dialdehydes And Brcn In The Presence Of Et_3n, Nader Noroozi Pesyan, Mohammad Jalilzadeh Jan 2012

Bifunctionalized Linked Bis-Spiro[Furo[2,3-D]Pyrimidine-6,5'- Pyrimidine]2,2',4,4',6'(3h,3'H,5h)-Pentaones Derived From One-Pot Reaction Of (Thio)Barbituric Acids With Aromatic Dialdehydes And Brcn In The Presence Of Et_3n, Nader Noroozi Pesyan, Mohammad Jalilzadeh

Turkish Journal of Chemistry

Reaction of pyrimidine-(1H,3H,5H)-2,4,6-trione (barbituric acid), 1,3-dimethyl pyrimidine-(1H,3H,5H)-2,4,6-trione (1,3-dimethyl barbituric acid), and 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)- dione (1,3-diethyl thiobarbituric acid) with cyanogen bromide and aromatic dialdehydes in the presence of triethylamine leads to the selective and efficient formation of a novel class of bifunctionalized stable heterocyclic bis-spiro[furo[2,3-d]pyrimidine-6,5'-pyrimidine] 2,2',4,4',6'(3H,3'H,5H)pentaones and their sulfur analogues, which are dimeric forms of barbiturate linked by a phenyl ring. A proposed mechanism was suggested for the formation of the products. The reaction of phthalaldehyde with BrCN and (thio)barbituric acids resulted in only monofunctionalized spiro[furo[2,3-d]pyrimidine-6,5'- pyrimidine]2,2',4,4',6'(3H,3'H,5H)pentaones, while isophthalaldehyde and terphthalaldehyde resulted in the bifunctionalized form.


Optimization And Development Of In Vitro Bioassays To Determine Structure-Activity Relationships For Cannabinoid Receptor 1 And Cannabinoid Receptor 2, Afeef Husni Jan 2012

Optimization And Development Of In Vitro Bioassays To Determine Structure-Activity Relationships For Cannabinoid Receptor 1 And Cannabinoid Receptor 2, Afeef Husni

Electronic Theses and Dissertations

Cannabis has been around for thousands of years and has been used recreationally, medicinally, and for fiber. Over 400 compounds have been isolated from Cannabis sativa with approximately 100 being cannabinoids. Of those 100 compounds, Δ9-THC has been determined as the primary constituent, which is also responsible for the psychoactivity associated with Cannabis. Along with Δ9-THC, cannabidiol has been studied in depth for its therapeutic effects. This has currently been the focus of many researchers since cannabidiol does not cause psychotropic effects.

Cannabinoid receptors belong to the large superfamily of G protein-coupled receptors (GPCRs). Approximately 30% of marketed drugs target …


Synthesis And Characterization Of Nickel Complexes With Relevance To Nickel Acireductone Dioxygenase And Nickel Superoxide Dismutase, Margo Nicole Montgomery Jan 2012

Synthesis And Characterization Of Nickel Complexes With Relevance To Nickel Acireductone Dioxygenase And Nickel Superoxide Dismutase, Margo Nicole Montgomery

Electronic Theses and Dissertations

This research presents an investigation of synthetic model complexes with relevance to the active site of Ni(II) acireductone dioxygenase (Ni-ARD) and Ni(II) superoxide dismutase (Ni-SOD). Acireductone dioxygenases (ARDs) are a unique set of enzymes found in the methionine salvage pathway that catalyze the oxidation reaction of acireductone (1, 2-dihydroxy-3-oxo-5-(methylthio)pent-1-ene). These enzymes share a compolypeptide sequence but bind different metal ions, Ni2+ or Fe2+, at the active site. The Ni-ARD enzyme is responsible for the off pathway shunt in the pathway. Using the tridentate nitrogen donor ligands hydrotris(3,5-dimethyl-1-pyrazolyl)borate (Tp*) and the newly developed tris(1, 2-dimethyl-4-imadozyl)carbinol, (4-TICMe, Me) several reactions involving the …


Theoretical And Spectroscopic Studies Of Molecular Systems For Charge Transfer And Energy Storage And Transfer, Debra Scardino Jan 2012

Theoretical And Spectroscopic Studies Of Molecular Systems For Charge Transfer And Energy Storage And Transfer, Debra Scardino

Electronic Theses and Dissertations

Efficient charge transfer and energy storage and transfer have become increasingly important in many areas of research and development. This is especially true for the development of optoelectronic devices, molecular electronics, and solar voltaic cells. Characterization of the photophysical properties of new molecular systems for these applications has emerged as an important field of research. Many molecular building blocks have been developed and understanding the properties of these systems at a fundamental level is essential for their successful implementation. This dissertation focuses on experimental and theoretical studies of some of these newly-developed molecular systems. Oxygen substituted dihydrobenzvalene is studied theoretically …


On The Nature Of Weak Intermolecular Forces: A First Principles Approach To Hydrogen Bonding And Pi-Type Interactions, Kari Lorene Copeland Jan 2012

On The Nature Of Weak Intermolecular Forces: A First Principles Approach To Hydrogen Bonding And Pi-Type Interactions, Kari Lorene Copeland

Electronic Theses and Dissertations

Computational quantum chemistry is a branch of chemistry that is based on quantum mechanics. In this field, chemical phenomena is represented in mathematical form and computers are used to provide numerical solutions to rigorous mathematical equations. Through this medium, the properties of atoms and molecules are calculated with high accuracy. Chapter 1 opens with a general discussion of science, the development of atomic theory and computational chemistry. Electronic structure theory is more extensively reviein Chapter 2. Hydrogen bonding and dispersion forces are defined in Chapter 3, and the procedures used to computationally study these type interactions are considered. Chapter 4 …


Quantitative Analysis Of Co-Enzyme A In A Plant Tissues And Cancer Biomarkers In Urine Samples By Using Capillary Electrophoresis And Liquid Chromatography-Mass Spectrometry, Yongqing Jiang Jan 2012

Quantitative Analysis Of Co-Enzyme A In A Plant Tissues And Cancer Biomarkers In Urine Samples By Using Capillary Electrophoresis And Liquid Chromatography-Mass Spectrometry, Yongqing Jiang

Doctoral Dissertations

"Despite continuous effort and progress in cancer detection and therapy, cancer remains one of our greatest health concerns because of its low survival rate and rapid incidence increase. One reason for this is the late detection and therefore pre-cancer diagnosis is crucial. In pre-cancer studies, cancer biomarkers become significant because of the useful information it contains such as possible cancer type and stage. Separation and detection technique plays an important role in cancer biomarker identification.

Coenzyme A (CoA) facilitates more than 100 chemical reactions in cells. Because of its low abundance accumulated in cells, it is critical to develop a …


Investigation Of Biomarkers For Noninvasive Early Diagnosis Of Cancer, Sanjeewa Bandara Gamagedara Jan 2012

Investigation Of Biomarkers For Noninvasive Early Diagnosis Of Cancer, Sanjeewa Bandara Gamagedara

Doctoral Dissertations

"Cancer is the second leading cause of death worldwide, and deaths from cancer worldwide are projected to continue rising, with an estimated 12 million deaths in 2030. Cancer occurs when cells in a part of the body begin to grow out of control. It develops very rapidly, and early diagnosis offers a greater chance of successful treatment and a higher survival rate. Biomarkers are good potential tools for early diagnosis. The main hypothesis of this study is that the levels of certain metabolites present in human urine can indicate the current or future behavior of cancer. Therefore, these studies focused …


Preparation And Antimicrobial Activity Evaluation Of Some Quinoline Derivatives Containing An Azole Nucleus, Muhammet Özyanik, Serpi̇l Demi̇rci̇, Hakan Bektaş, Nesli̇han Demi̇rbaş, Ahmet Demi̇rbaş, Şengül Alpay Karaoğlu Jan 2012

Preparation And Antimicrobial Activity Evaluation Of Some Quinoline Derivatives Containing An Azole Nucleus, Muhammet Özyanik, Serpi̇l Demi̇rci̇, Hakan Bektaş, Nesli̇han Demi̇rbaş, Ahmet Demi̇rbaş, Şengül Alpay Karaoğlu

Turkish Journal of Chemistry

Quinoline-2-carbohydrazide (2) obtained from quinaldic acid (1) was converted to the corresponding carbothioamide 3 and carboxamide 6 by treatment with benzyliso(thio)cyanate. The basic treatment of 3 and 6 yielded the corresponding 1,2,4-triazole derivatives 4 and 7. The synthesis of 5-(quinolin-2-yl)-1,3,4- oxadiazol-2-thiol (9) was performed from the reaction of 1 with CS_2 in basic media. The Mannich reaction of compounds 4, 7, and 9 resulted in the formation of aminoalkylated derivatives 5a-c, 8, and 10a,b. The condensation of 1 with thiosemicarbazide, carbohydrazide, or thiocarbohydrazide gave the corresponding 1,2,4-triazole derivatives (11-13). The treatment of 4-amino-5-(quinolin-2-yl)- 4H-1,2,4-triazole-3-thiol (13) with 4-chlorophenacyl bromide caused the …


Investigating The Glutamine-Trna (Glutamine) Synthesis Appartus Of The Human Pathogen Helicobacter Pylori, Nilesh Joshi Jan 2012

Investigating The Glutamine-Trna (Glutamine) Synthesis Appartus Of The Human Pathogen Helicobacter Pylori, Nilesh Joshi

Wayne State University Theses

INVESTIGATING THE GLUTAMINE-TRNA (GLUTAMINE) SYNTHESIS APPARTUS OF THE HUMAN PATHOGEN HELICOBACTER PYLORI

by

NILESH JOSHI

August 2012

Advisor: Tamara L. Hendrickson

Major: Chemistry

Degree: Master of Science

Accurate protein biosynthesis is a vital process to all cellular life. Aminoacyl-tRNAs are at the heart of this process: A correctly formed aminoacyl-tRNA is critical for protein biosynthesis. Organisms have evolved many mechanisms to repair misacylated tRNAs before they cause errors in protein biosynthesis, thus maintaining the integrity of the genetic code. The human pathogen Helicobacter pylori (H. pylori) synthesizes Glu-tRNAGln as an intermediate to producing Gln-tRNAGln. This misacylated intermediate could cause lethal …


Computational Methods For The Differential Profiling Of Triacylglycerols Using Rp-Hplc/Apci-Ms, Margaret Holbrook Broadwater Jan 2012

Computational Methods For The Differential Profiling Of Triacylglycerols Using Rp-Hplc/Apci-Ms, Margaret Holbrook Broadwater

MUSC Theses and Dissertations

Reversed phase liquid chromatography with atmospheric pressure chemical ionization mass spectrometry (RP-HPLC/APCI-MS) was employed for the analysis of natural mixtures of triacylglycerols. An integrated framework for data analysis, including preprocessing, statistical analysis and automated structure identification, was implemented in the R statistical program. Raw data stored as mzXML, mzData, or mzXML files are preprocessed using a series of steps for peak detection, chromatographic alignment, and normalization. Targeted and non-targeted feature selection steps are employed to filter the data for features that are relevant and informative for a particular biological question. Triacylglycerol structures are identified by evaluating relationships between the diacylglycerol …