Chemistry Commons^™

Synthesis And Antitumor Activities Of 2-(Piperidin-4-Yl)-Thiazole-4-Carboxamides Analogues Of Tubulysins, Xiangfu Peng, Mingsha Shao, Shuchao Ma, Lei Yao

Turkish Journal of Chemistry

}Tubulysins are a family of natural products that exhibit potent antitumor activities, which have attracted much attention from synthetic and medicinal chemists. Previous attempts to aromatize the Tuv part of tubulysin analogues led to a loss in antitumor activity, which suggested that the Ile and Tuv fragments of these analogues were adopting different conformations than the natural products. In this study, a series of 2-(piperidin-4-yl)-thiazole-4-carboxamides have been prepared to investigate whether an intramolecular H-bond between key NH and OH groups is responsible for the conformational control. The antitumor activities of these analogues have been screened using MDA-MB-231-breast, Siha-cervical, MCF7-breast, and …

A Microwave-Assisted Highly Stereoselective One-Pot Wittig Reaction Under Solvent-Free Conditions, Kalyani Rajkumari, Bittu Lama, Lalthazuala Rokhum

Turkish Journal of Chemistry

We report a novel microwave-assisted two-step, one-pot protocol for the synthesis of olefins (alkenes) via Wittig reaction. The reaction was carried out under solvent-free conditions using basic alumina both as a heterogeneous catalyst and a solid support. Varieties of aromatic aldehydes were converted into their corresponding olefins within 30-50 min with good to excellent yields. An excellent predominance of E-isomers over Z-isomers (up to 100% E-selectivity) for all the olefin products was observed. This showed the attractive stereocontrol of our reported protocol. In addition, owing to the solid-state nature of the reactions, our procedure prevented the need for tedious aqueous …

Effect Of Crosslinking Patterns On The Properties Of Conjugated Microporous Polymers, Hakan Bi̇ldi̇ri̇r

Turkish Journal of Chemistry

Syntheses and detailed spectroscopic characterizations of two similar conjugated microporous polymers formed by A4 $+$ B2 and A2 $+$ B3 type functional monomers via Sonogashira--Hagihara polycondensation are presented in this report. The two porous polymeric networks possess mono-, di-, and tri- (1-, 1,4-, and 1,3,5-, respectively) substituted benzene rings and fused thiophenic moieties (dithienothiophenes). Because of the different conjugation patterns, their solid state nuclear magnetic resonance, infrared, and ultraviolet/visible light absorption analyses indicated significant differences. Besides the discussions on the porous properties of the obtained polymeric networks, the presented spectroscopic investigations can be useful for identifying the structure-property relationship of …

Effect Of Fe Substitution On The Partial Oxidation Of Methane To Syngas Over La$_{0.7}$Sr$_{0.3}$Co$_{1-Y}$Fe$_{Y}$O$_{3-\Delta}$ Perovskites, Adilah Aliyatulmuna, Perry Burhan, Bambang Prijamboedi, Hamzah Fansuri, Irmina Kris Murwani

Turkish Journal of Chemistry

In this research, a series of La$_{0.7}$Sr$_{0.3}$Co$_{1-y}$Fe$_{y}$O$_{3-\delta }$ ($y =$ 0.0--0.4) was successfully synthesized by a solid-state reaction method and syngas production studies were performed using gas chromatography. Thermogravimetric analysis characterized the concentration of Fe$^{3+}$, which gave a low H$_{2}$/CO ratio over La$_{0.7}$Sr$_{0.3}$Co$_{1-y}$Fe$_{y}$O$_{3-\delta }$ without the presence of molecular oxygen. All samples possessed a purely rhombohedral structure. The incorporation of more Fe increased the lattice parameter and changed XRD peaks of the La$_{1-x}$Sr$_{x}$Co$_{0.8}$Fe$_{0.2}$O$_{3}$ from sharp and single to double. Among the catalyst powders tested for syngas production activity, La$_{0.7}$Sr$_{0.3}$Co$_{0.6}$Fe$_{0.4}$O$_{3-\delta }$ ($y =$ 0.4) had the low molar ratio of H$_{2}$/CO …

Improving The Mechanical And Thermal Properties Of Chlorinated Poly(Vinyl Chloride) By Incorporating Modified Caco$_{3}$ Nanoparticles As A Filler

Turkish Journal of Chemistry

Chlorinated poly(vinyl chloride) (CPVC)/calcium carbonate nanocomposites were successfully prepared by the incorporation of calcium carbonate (CaCO$_{3})$ nanoparticles into the CPVC matrix. The compatibility between the two phases was obtained by surface modification of the CaCO$_{3}$ nanoparticles with stearic acid, leading to improved material performance. The effects of the addition of different amounts of CaCO$_{3}$ nanoparticles to the CPVC on the thermal, mechanical, and morphological characteristics of the CPVC/CaCO$_{3}$ nanocomposites were investigated. The thermal stability of the CPVC/CaCO$_{3}$ nanocomposites was evaluated by thermogravimetric analysis~and differential scanning calorimetry. In addition, the surface texture of the CPVC and the dispersion of the CaCO$_{3}$ …

Improvement Of The Mechanical And Thermal Properties Of Polyester Nonwoven Fabrics By Ptfe Coating, Fatemeh Ashrafi, Mohammad Reza Babaei Lavasani

Turkish Journal of Chemistry

Polyester (polyethylene terephthalate) is one of the most widely used polymers in textiles. Despite all the advantages of this polymer, its low thermal resistance limits its use in filters and protective textiles. On the other hand, polyester nonwovens are used in many products as wipes, filters, and padding. The surface properties of polyester nonwovens are often not perfect for a specific application and need to be modified. Different ways, including coating, have been developed to modify their surface properties. Therefore, in the present study attempts were made to investigate the improvement of the thermal resistance of a polyester nonwoven by …

Sustainable Process For The Production Of Symmetrical Dibasic Acid Ester-Based Thermal Energy Storage Materials From Lipids, Ayhan Yildirim, Kaan Kiraylar

Turkish Journal of Chemistry

Oleochemical-based long-chain diesters are potential organic phase change materials convenient for thermal energy storage. The development of efficient and green methods is an important requirement for the preparation of these environmentally friendly compounds, which also are finding wide industrial application. Thus, in the present work, a series of dibasic acid esters were synthesized through ionic liquid catalyzed scalable chemical esterification or transesterification reactions in a solvent-free medium. The starting compounds, dicarboxylic acids or their methyl esters and fatty alcohols or cholesterol, were reacted in the ratio of 1:2 respectively and the synthesized esters were characterized by FT-IR, $^{1}$H NMR, and …

Electrochemical Oxidation Of Curcuminoids: An Experimental And Computational Investigation, Zeynep Kalaycioğlu, Nurgül Karadaş, Mehmet Emi̇n Çinar, Si̇bel Ayşil Özkan, Duri̇şehvar Özer Ünal, Ayşegül Gölcü, Fatma Bedi̇a Eri̇m

Turkish Journal of Chemistry

Curcuminoids, reported to have important biological properties, such as antioxidant, anti-Alzheimer, and antidiabetic properties, comprise curcumin (CRM; 1,7-bis [4-hydroxy-3-methoxyphenyl]-1,6-heptadiene-3,5-dione) and its derivatives demethoxycurcumin (DMC; (E,6E)-1-(3,4-dimethoxy-cyclohexyl)-7-(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione) and bisdemethoxycurcumin (BDMC; 1,7-bis[4-hydroxyphenyl]-1,6-heptadiene-3,5-dione). Their electrochemical oxidations are thoroughly explored by applying cyclic and differential pulse voltammetric techniques. The dependence of current intensities and potentials on pH, concentration, scan rate, and nature of the buffer was investigated. The outcome is supported by density functional theory computations indicating the transfer of 4-e$^{-}$/H$^{+}$, 6-e$^{-}$/H$^{+}$, and 8-e$^{-}$/H$^{+}$ couples involved in the oxidation mechanisms of CRM, DMC, and BDMC, respectively, leading to the formation of the same oxidized product.

Determination Of N-Acetylcysteine In The Presence Of Ciprofloxacin Or Levofloxacin In Microparticulate Dry Powder Inhalers, Yağmur Akdağ Çayli, Selma Şahi̇n, Emi̇rhan Nemutlu, Levent Öner

Turkish Journal of Chemistry

A fast and easy method was validated for simultaneous determination of ciprofloxacin hydrochloride monohydrate (CP), levofloxacin hemihydrate (LV), and N-acetylcysteine (NAC) in samples. The analysis was performed on a C$_{18}$ column (250 x 4.6 mm, 5 μm) (Inertsil ODS-3V) using an isocratic elution method with a mobile phase composed of 25 mM KH$_{2}$PO$_{4}$ (pH 3.0) and methanol (72:28, v/v) at a flow rate of 1 mL/min. UV detection was performed at 214 nm for NAC and 293 nm for CP and LV. The method was validated for linearity, accuracy, precision (repeatability and reproducibility), specificity, sensitivity, and stability. The calibration study …

Methyl-Substituted 2-Aminothiazole--Based Cobalt(Ii) And Silver(I) Complexes: Synthesis, X-Ray Structures, And Biological Activities, Ezzat Khan, Tufail Ahmad, Zarif Gul, Farhat Ullah, Muhammad Nawaz Tahir, Awal Noor

Turkish Journal of Chemistry

2-Aminothiazole derivatives bear three nucleophilic centers, i.e. endocyclic N, exocyclic NH$_{2}$, and S atom in the ring system. In addition to these centers there are $\pi$-electrons in the ring system which can also expectedly be involved in some sort of coordination. To the best of our knowledge the solid state coordination chemistry of such ligands has not been fully presented in the literature. These ligands (2-amino-4-methylthiazole and 2-amino-5-methylthiazole) were coupled with CoCl$_{2}$ under aerobic conditions to form tetrahedral complexes, bis(2-amino-4-methylthiazole)dichlorocobalt(II) (1) and bis(2-amino-5-methylthiazole)dichlorocobalt(II) (2). Reaction of 2-amino-5-methylthiazole with AgNO$_{3}$ led to an expected two-coordinated, bis(2-amino-5-methylthiazole)silver(I) nitrate (3) as crystalline material. …

Protonation Behavior Of Dextran Amino Acid Esters, Konrad Hotzel, Lidjia Fras Zemljic, Matej Bracic, Thomas Heinze

Turkish Journal of Chemistry

Dextran esters of different amino acids (glycine, $\beta $-alanine, L-ornithine, L-lysine) are investigated regarding their pK$_{a}$ values by potentiometric titration. The pK$_{a}$ values of the dextran derivatives are generally dependent on the position of the amino group in relation to the ester group, i.e. the nearer they are located in the molecule, the lower the resulting pK$_{a}$ values are, L-ornithine ester being the exception. An influence of the polymer backbone is ruled out. Stability against hydrolysis at different pH values and over longer periods at constant pH value is measured by potentiometric and polyelectrolyte titration. The $\beta $-alanine ester shows …

Synthesis Of Tetrakis Bromine Terminated Phthalocyanine And Its Methyl Methacrylate Polymers Via Atr, Tuba Çakir Çanak, Damla Yeşi̇ldağ, Ilgin Nar, Esi̇n Hamuryudan, İbrahi̇m Ersi̇n Serhatli

Turkish Journal of Chemistry

A phthalocyanine (Pc) initiator, tetrakis(2-bromopropyloxyester)ethylthiophthalocyaninatozinc(II) (ZnPc-Br), was prepared and successfully applied to atom transfer radical polymerization (ATRP) of methyl methacrylate (MMA) for the first time. Bromine end groups of the synthesized Pc took part in the initiation of the MMA chain growth. Polymerization was demonstrated by monomodal molecular weight distribution of the synthesized polymers and their increasing molecular weight behavior with reaction time. UV-Vis absorption, fluorescence, and transmittance properties of the polymers were also examined. The results indicate that the ZnPc-Br-based initiator is potentially applicable in ATRP applied to MMA in order to obtain and develop functional acrylic materials.

Parameterization, Kinetics, And Adsorption Isotherm Of Electrocoagulation Process Of Bromothymol Blue In Aqueous Medium Using Aluminum Electrodes, Okon Abakedi, Victor Mkpenie, John Okafor

Turkish Journal of Chemistry

The removal of bromothymol blue (BTB) from aqueous solution was studied by electrocoagulation (EC) technique using aluminum electrodes. The various experimental conditions known to influence the EC process were parameterized, including the effects of temperature, concentration, current density, pH, and treatment time. The results obtained have shown that optimum removal efficiency of 99.9% was realized at a current density of 20 mA/cm$^{2}$ and pH of 4.7. The adsorption process showed a pseudo-first-order kinetic model as the best fit to the EC data. Freundlich and Langmuir adsorption isotherms supported the adsorption of BTB on aluminum hydroxide being the in situ generated …

Alpha-Pyrone Glycosides From Scutellaria Salviifolia Benth, Zeynep Doğan, Kan'ichiro Ishiuchi, Toshiaki Makino, İclal Saraçoğlu

Turkish Journal of Chemistry

Scutellaria salviifolia Benth. is an endemic species growing in Turkey that belongs to the family Lamiaceae. As a result of a phytochemical study on the aerial parts of S. salviifolia Benth., two new and 10 known compounds were isolated from the aqueous fraction of methanolic extract. The new compounds are methyl-$\alpha $-pyrone glucosides, 3,4-dihydroxy-6-methylpyran-2-one 3-$O$-$\beta $-glucopyranoside (=scusalvioside A, 1), and 3,4-dihydroxy-6-methylpyran-2-one 3-$O$-$\beta $-(6$'$-$O$-$E$-caffeoyl) glucopyranoside (=scusalvioside B, 2) with new skeletal structures. Along with them, 3 phloroglucinol glucosides [phlorin (3), tadehaginoside (4), and 6$^{\prime \prime} $-$O$-$Z$-$p$-coumaroyl phloroglucinol-1-$O$-$\beta $-glucopyranoside (5)], 6 flavonoids [apigenin (6), apigenin 5-$O$-$\beta $-glucopyranoside (7), isoschaftoside (8), luteolin 7-$O$-$\beta …

Sensitive Biological Detection Based On Langmuir--Blodgett Films Prepared From Diluted Silica Suspensions, Numan Gözübenli̇

Turkish Journal of Chemistry

Self-assembled three-dimensional (3-D) colloidal crystals have been extensively utilized in nanolithography for fabricating a wide spectrum of functional periodic nanostructures for important technological applications. Here a simple and versatile way is reported using silica colloids to prepare close-packed particle multilayers by the Langmuir--Blodgett technique to create highly ordered 3-D colloidal crystals with unusual nanoarrays on a large variety of substrates. Successive deposition of monolayers using amphiphilic molecules in this approach allows control of the layer thickness, particle size, and especially packing structure of them in each layer. It has been demonstrated that the Langmuir--Blodgett film's transparency and high antiglare optical …

Synthesis And Spectroscopic Characterization Of New Phthalocyanine Derivatives: Application As Photocatalysts For The Degradation Of Orange G, Yusuf Yilmaz, Kayode Sanusi

Turkish Journal of Chemistry

New derivatives of 2(3),9(10),16(17),23(24)-tetrakis-(6-methylpyridin-2-yloxy)phthalocyanine (Pc) (2b, 2c, and 2d) were synthesized and their structures were characterized by elemental analysis, IR, $^{1}$H NMR, and high-resolution mass spectrometry. The spectral results were in line with the proposed structures. The photodegradation of Orange G (OG) dye in DMSO by the Pc derivatives was investigated. The compounds showed relatively high photodegradation rates that increased with increasing size of the central atoms. The Pc photodegradation rates showed fair correlation with the singlet oxygen generation efficiencies (${\Phi }_{{\Delta }})$. The observed rate constants were higher than the values already reported for other Pcs in the literature …

Peripherally 1,2-Dinaphthyl Ethanediol Substituted Phthalocyanine Complexes: Synthesis, Characterization, Aggregation, And Application In Benzyl Alcohol Oxidation At Room Temperature, Hali̇l Zeki̇ Gök, Mustafa Kemal Yilmaz

Turkish Journal of Chemistry

In this study, the synthesis of a novel 1,2-dinaphthyl ethanediol substituted phthalonitrile (2) together with tetra-substituted zinc(II) phthalocyanine (Pc) (3) and cobalt(II) Pc (4) bearing 1,2-dinaphthyl ethanediol at peripheral positions was described. The aggregation behaviors of metallophthalocyanines 3and 4 in solution were investigated by carrying out Beer-Lambert experiments at different concentrations. In addition, the catalytic activity of new cobalt(II) Pc 4 was investigated for benzyl alcohol oxidation. Benzyl alcohol was converted to benzaldehyde using cobalt(II) Pc 4 as a catalyst by a conversion of 99% with selectivity of 100% at room temperature in 1 h. Several spectroscopic techniques such as …

Antioxidant Properties Of Water-Soluble Phthalocyanines Containing Quinoline 5-Sulfonic Acid Groups, Armağan Günsel, Esma Hande Alici, Ahmet Turgut Bi̇lgi̇çli̇, Gülnur Arabaci, Meryem Ni̇lüfer Yaraşir

Turkish Journal of Chemistry

In the present study, the antioxidant properties of peripherally and nonperipherally water-soluble tetra (quinoline 5-sulfonic acid) substituted metal-free (1,2), Zn(II) (3, 4), Co(II) (5, 6), and Mn(III)Cl (7, 8) phthalocyanine (Pc) derivatives were reported. In order to determine the antioxidant properties of the Pc compounds, three different commonly known antioxidant methods were used: DPPH ($\alpha $,$\alpha $-diphenyl-$\beta $-picrylhydrazyl) radical scavenging, ferrous ion chelating, and reducing power assays. Compound \textbf{6} showed the best DPPH activity among the other tested compounds except for the standards. The ferrous ion chelating IC$_{50\, }$value of compound 7 was nearly as good as that of the …

Synthesis And Bioactivity Of Sulfide Derivatives Containing 1,3,4-Oxadiazole And Pyridine, Gang Yu, Shunhong Chen, Feng He, Dexia Luo, Yu Zhang, Jian Wu

Turkish Journal of Chemistry

A series of novel sulfide derivatives containing 1,3,4-oxadiazole and pyridine were synthesized, characterized, and tested for their antibacterial activity against tobacco bacterial wilt and rice bacterial blight and for insecticidal activity toward diamondback moth. The results showed that some compounds had good insecticidal and bactericidal activity, e.g., the activities of compounds 6e and 6g-6j toward tobacco bacterial wilt were much better than those of commercial thiodiazole-copper, and some of the synthesized compounds possessed good insecticidal activity against Plutella xylostella. Compounds 6d, 6h, 6j, 6l, 6p, 6r, and 6p displayed over 93% activity at 500 mg L$^{-1}$.

Coumarin-Based Benzilmonohydrazone As A New Proton-Sensitive Fluorescence Dye: Synthesis And Investigation Of Photophysical And Acidochromic Properties, Burcu Aydiner

Turkish Journal of Chemistry

Coumarin-based chromogenic and fluorogenic dye 4 was designed and synthesized. The photophysical properties of 4 were determined in solvents with different polarities. Protonation affinity was determined by adding trifluoroacetic acid (TFA) to a dichloromethane solution of dye 4 utilizing the UV-Vis and fluorescence titration methods. The protonation region was investigated by using the $^{1}$H NMR method. Additionally, DFT and TDDFT studies were performed to support the structural and absorption spectral properties of 4.

Detection Of Lard Contamination In Five Different Edible Oils By Ft-Ir Spectroscopy Using A Partial Least Squares Calibration Model, Fazeelah Munir, Syed Ghulam Musharraf, Syed Tufail Hussain Sherazi, Muhammad Imran Malik, Muhmmad Iqbal Bhanger

Turkish Journal of Chemistry

Lard is defined as animal fat acquired from the adipose tissue of pigs and is not permitted for human consumption or external use by certain religions such as Islam and Judaism. Due to its low-cost availability for commercial use, it is often mixed with other vegetable oils mistakenly or deliberately and causes loss of consumer trust; hence, its detection in food products is essential. Consumers tend to know the authenticity of commercially available edible oils. However, edible oils are subjected to adulteration risks with lard, which breaches consumer rights. In the present study, we designed a transmission Fourier transform infrared …

Novel Voltammetric Investigation Of Dipyridamole At A Disposable Pencil Graphite Electrode, Iulia Gabriela David, Lorelei Iordache, Dana Elena Popa, Mihaela Buleandra, Victor David, Emilia-Elena Iorgulescu

Turkish Journal of Chemistry

The present paper describes the voltammetric analysis of dipyridamole (DIP) at a cheap, disposable pencil graphite electrode (PGE). The working conditions were optimized with regard to the electrode material and the supporting electrolyte. Cyclic voltammetric investigations emphasized that DIP is irreversibly oxidized at the PGE. The electrode process is pH-dependent and controlled by both diffusion and adsorption. For DIP quantitative determination a differential pulse voltammetric (DPV) method in phosphate buffer solution pH 7.00 was developed. DIP's oxidation peak current varied linearly with the analyte concentration, presenting two linear ranges, namely 5.00 $\times $ 10$^{-7}$-2.50 $\times $ 10$^{-5}$ M and 2.50 …

Synthesis Of Smz Derivatives And Investigation Of Effects On Germination, Root, And Plant Growth Of \Textit{Arabidopsis Thaliana} L., Tuğba Güngör, Ferah Cömert Önder, Fati̇h Sezer, Aslihan Özbi̇len, Kemal Meli̇h Taşkin, Mehmet Ay

Turkish Journal of Chemistry

A series of sulfonamide derivatives were synthesized by reactions with various functional groups containing benzenesulfonyl chlorides and aniline derivatives under different substitution reaction conditions. The structures of SMZ derivatives were confirmed with melting point, FT-IR, $^{1}$H NMR, $^{13}$C NMR, and LC-MS/MS techniques. In order to investigate the cytotoxic effects of these derivatives, we used a model plant species. The synthesized compounds (S1-S5) and sulfamethazine (SMZ) as a positive control were applied to Arabidopsis thaliana seeds. Our results indicated that S3 and S4 induced shorter roots and lower wet weight in plants. Plants treated with S2 and S5 showed no growth …

A Novel Silver(I)-Selective Pvc Membrane Sensor And Its Potentiometric Applications, Ömer Işildak, Ni̇hal Deli̇gönül, Oğuz Özbek

Turkish Journal of Chemistry

Silver(I)-selective sensors were prepared from a solid-state contact polyvinyl chloride (PVC) membrane. ($Z)$-2-(2-((3-(2-hydroxyphenyl)-5-(p-tolyl)-1$H$-pyrrol-2-yl)imino)-5-(p-tolyl)-2$H$-pyrrol-3-yl)phenol was synthesized as an ionophore molecule and embedded in the silver(I)-selective PVC membrane composition. The optimum membrane composition was determined as 2.5% ionophore, 61.7% bis-(2-ethylhexyl)sebacate, 1.0% potassium tetrakis (p-chlorophenyl) borate, and 34.8% PVC. The developed sensor exhibited a linear potential change $E$ = 67.42 (-log [Ag$^{+}$]) $+$ 1152.9 and $R^{2}$ = 0.9960) in the varying concentration range of 1.0 $\times $ 10$^{-1}$ to 1.0 $\times $ 10$^{-5}$ mol L$^{-1}$ silver ions. This sensor shows a detection limit of 7.3 $\times $ 10$^{-7}$ mol L$^{-1}$. The proposed sensor …

Molecular Dynamics Simulations Of Adsorption Of Long Pyrene-Peg Chains On A Thin Carbon Nanotube, Peli̇n Deni̇z Akkuş, Ayşe Özge Kürkçüoğlu Levi̇tas

Turkish Journal of Chemistry

Carbon nanotubes have emerged as highly promising theranostic agents due to their unique structural/physical features, high surface area, and high drug-loading capacity. The high cytotoxicity of carbon nanotubes can be eliminated by noncovalent coating using hydrophilic polymers. We investigated the adsorption of long pyrene functionalized polyethylene glycol (PEG) chains, PEG$_{2000}$ and PEG$_{5000}$, on a single-walled carbon nanotube (SWNT) from a crowded solution. Full-atom molecular dynamics simulations in explicit water were used to mimic the experimental conditions of noncovalent PEGylation with a stoichiometry of one SWNT to ten pyrene-PEG. Although the diffusional behavior of the pyrene molecules still attached to the …

I3: Isomerization Of Isomer Ions, Krisztián Gabor Torma

University of the Pacific Theses and Dissertations

Photoelectron Photoion Coincidence (PEPICO) spectroscopy is a robust tool for elucidating complex unimolecular dissociation mechanisms and for determining thermochemical and kinetic data of gas-phase ion dissociations with high accuracy. In this work, the dissociative photoionization of two sets of isomeric systems were analyzed with PEPICO: 1) C7H7+ ions of toluene (Tol) and 1,3,5-cycloheptatriene (CHT), and 2) two butyl alcohol isomers, 1-butanol and isobutanol. Threshold dissociative photoionization data on these four molecules of interest were collected on the imaging PEPICO apparatus at the VUV beamline of the Swiss Light Source. Data analysis was aided by ab initio calculations and Rice-Ramsperger-Kassel-Marcus (RRKM) …

The Importance Of Properly Modeling The Hydrogen Bond In Histidine, Falonne M. Tchodimo, Guoquan Zhou, Hua-Jun Fan

Pursue: Undergraduate Research Journal

The hydrogen bond plays a vital role in many reactions. This study is to investigate the effect of different hydrogen bonding modes, such as single and double hydrogen bonds, via the quantum mechanic (QM) methods. Four histidine models (A, B, C, and D) with different numbers of intra-molecular hydrogen bonds were studied. The QM model results indicate that the double hydrogen bond is plausible and has a more stable geometry. However, this study suggests that the data from QM methods require further evaluation with solvation models to produce an even better energy profile.

Pursue Undergraduate Research Journal Volume 2 (Issue 1) 2019

Pursue: Undergraduate Research Journal

The scholarly journal, “PURSUE: Undergraduate Research Journal” (ISSN 2473-6201), provides undergraduates an avenue to publish their original research abstracts and articles in the following areas: psychology, sociology, biology, chemistry, physics, engineering, computer science, mathematics, humanities, agriculture, architecture, health, business, and education (this list is not exclusive).

The original research articles included in this journal are peer reviewed and selected by the journal’s Editorial Board. The review process allows undergraduate researchers to receive feedback from notable scientists in their field of study and teach them about the publication process. Publication of their work will not only inform the scientific community; it …

One-Pot Enol Silane Formation-Mukaiyama Aldol Reactions: Crossed Aldehyde-Aldehyde Coupling, Thioester Substrates, And Reactions In Ester Solvents, C. Wade Downey, Grant J. Dixon, Jared A. Ingersoll, Claire A. Fuller, Kenneth W. Maccormac, Anna Takashima, Rohina Sediqui

Chemistry Faculty Publications

Trimethylsilyl trifluoromethanesulfonate (TMSOTf) and a trialkylamine base promote both in situ enol silane/silyl ketene acetal formation and Mukaiyama aldol addition reactions between a variety of reaction partners in a single reaction flask. Isolation of the required enol silane or silyl ketene acetal is not necessary. For example, crossed aldol reactions between α-disubstituted aldehydes and non-enolizable aldehydes yield b- hydroxy aldehydes in good yield. In a related reaction, the common laboratory solvent ethyl acetate functions as both an enolate precursor and a green reaction solvent. When thioesters are employed as enolate precursors, high yields for additions to non-enolizable aldehydes are routinely …

First Generation Amperometric Biosensing Of Galactose With Xerogel-Carbon Nanotube Layer-By-Layer Assemblies, Najwa Labban, Mulugeta B. Wayu, Ciara M. Steele, Tess S. Munoz, Julie A. Pollock, William S. Case, Michael C. Leopold

Chemistry Faculty Publications

A first-generation amperometric galactose biosensor has been systematically developed utilizing layer-by-layer (LbL) construction of xerogels, polymers, and carbon nanotubes toward a greater fundamental understanding of sensor design with these materials and the potential development of a more efficient galactosemia diagnostic tool for clinical application. The effect of several parameters (xerogel silane precursor, buffer pH, enzyme concentration, drying time and the inclusion of a polyurethane (PU) outer layer) on galactose sensitivity were investigated with the critical nature of xerogel selection being demonstrated. Xerogels formed from silanes with medium, aliphatic side chains were shown to exhibit significant enhancements in sensitivity with the …