Chemistry Commons^™

Biocompatible Materials Loaded With Plant Extract For Ph Sensing, Kasitnun Chayavanich

Chulalongkorn University Theses and Dissertations (Chula ETD)

The pH-sensitive films and resin were developed based on natural pH-sensitive coloring agents and biocompatible polymers. Anthocyanins and a curcumin derivative were selected as the natural pH-sensitive coloring agents. At first, anthocyanins were extracted from red radish and their contents were determined by using the pH-differential method. Difluoro boron curcumin was synthesized to improve its photophysical and stability properties. Next, both coloring agents were characterized by UV-Vis, FT-IR, and NMR techniques as well as their color response in solution was studied in different pHs with UV-Vis profiles. The results showed that the red radish anthocyanin solution could change the colors …

Low-Valent Synthons Of Titanium : Investigations On Structure-Reactivity Relationships, Rolando Aguilar

Open Access Theses & Dissertations

Strategies for the functionalization of abundant, small molecules into products with added value provide a powerful approach to address environmental sustainability issues. Dinitrogen (N2), and carbon oxides (CO, CO2), are examples of the ample, yet, underutilized atmospheric feedstock of nitrogen and carbon building blocks to produce a variety of chemicals. Although, potentially valuable, small molecules are inert under most conditions, and as such, their industrial activation often requires heterogeneous catalysts operated under high pressures (200 atm) and temperatures (450-600 ºC).

To this end, great efforts in synthetic inorganic chemistry have been devoted to the generation of well-defined and highly reactive …

Synthesis, Characterization And Antibacterial Properties Of Silver(I) N-(4-Pyridyl) Benzamide Complexes With Varying Conterions, Mauro J. Ruiz

Open Access Theses & Dissertations

Organic semiconductor materials composed of - stacking aromatic compounds have been under intense investigation for their potential uses in flexible electronics and other advanced technologies. Herein we report a new family of seven - stacking compounds of Silver(I) N-(4-pyridyl) Benzamide with varying counterions, namely [Ag(NPBA)2]X, where NPBA is N-(4-pyridyl) Benzamine, X = NO3- (1), ClO4- (2), CF3SO3- (3), PF6- (4), BF4- (5), CH3PhSO3- (6), and PhSO3- (7), which form extended - stacking networks in one-dimensional (1D), 2D and 3D directions in the crystalline solid-state via the phenyl moiety, with average inter-ring distances of 3.823 Å. Interestingly, the counterions that contain …

Therapeutic Delivery Technology And Its Economic Impact, Paul E. Savas Jr.

Senior Honors Theses

Therapeutic delivery technology is a current area of high interest in both university and industrial settings. These technologies are being developed in order to deliver therapeutic agents, such as genes, proteins, and drugs, to patients more efficiently. Nanoscale delivery vehicles have proven to be useful for these applications; these vehicles may either be naturally produced or chemically synthesized. The physical properties of these nanomaterials must be characterized correctly using instrumentation that evaluates their size, morphology, and potential for agglomeration. These technologies represent a high-growth economic area that fosters entrepreneurship and innovation. Because of this innovative spirit, research and economic interest …

Crystallographically Determined Etching And Its Relevance To The Metal-Assisted Catalytic Etching (Mace) Of Silicon Powders, Kurt W. Kolasinski, Bret A. Unger, Alexis T. Ernst, Mark Aindow

Chemistry Faculty Publications

Metal-assisted catalytic etching (MACE) using Ag nanoparticles as catalysts and H2O2 as oxidant has been performed on single-crystal Si wafers, single-crystal electronics grade Si powders, and polycrystalline metallurgical grade Si powders. The temperature dependence of the etch kinetics has been measured over the range 5–37◦C. Etching is found to proceed preferentially in a h001i direction with an activation energy of ∼0.4 eV on substrates with (001), (110), and (111) orientations. A quantitative model to explain the preference for etching in the h001i direction is developed and found to be consistent with the measured activation energies. Etching of metallurgical grade powders …

Mechanochemically Synthesized Cobalt Oxide-Based Particles For The Reduction Of Nitrophenols And Impacting Factors To Its Mechanism, Lorianne R. Shultz

Honors Undergraduate Theses

Mechanochemically synthesized cobalt oxide-based particles are employed for the catalytic reduction of 4-nitrophenol (4NP), a toxic water contaminant. This reduction produces 4‑aminophenol (4AP), a less toxic, pharmaceutical precursor for drugs such as paracetamol. The indicated reduction has been completed previously using noble metals and/or catalysts requiring extensive solvent use, and time as part of their preparation. The cost and synthesis of these noble metal catalysts hinders the sustainable broad scale application as an environmental remediation solution. The catalyst synthesis explored in this study utilizes the green chemistry technique of vibratory ball-milling and annealing cobalt oxide-based particles at different temperatures, producing …

The Schrödinger Equation With Coulomb Potential Admits No Exact Solutions, Ilia Toli

Electronic Theses and Dissertations

We prove that the Schrödinger equation with the electrostatic potential energy expressed by the Coulomb potential does not admit exact solutions for three or more bodies. It follows that the exact solutions proposed by Fock [1–3] are flawed. The Coulomb potential is the problem. Based on the classical (non-quantum) principle of superposition, the Coulomb potential of a system of many particles is assumed to be the sum of all the pairwise Coulomb potentials. We prove that this is not accurate. The Coulomb potential being a hyperbolic (not linear) function, the superposition principle does not apply. The Schrödinger equation as studied …

Remediation Of Chlorinated Alkanes By Zero Valent Iron With Vitamin B12 And Utilization Of A Modified Gradual Release Of Responsibility Model In A Large Enrollment Chemistry Course, Nicole Lapeyrouse

Electronic Theses and Dissertations

The following dissertation looks at addressing environmental contaminants in the environment and the integration of an active learning style in an introductory chemistry course. It begins with addressing the concern for chlorinated propanes and ethane in the environment and the importance of looking into environmental remediation applications. This research looks at incorporating vitamin B12 as an environmentally friendly catalyst in the presence of zero valent iron for the reduction of chlorinated propanes and ethane. Chapter 2 presents the analytical methods and conditions in which samples were run. The results from these experiments are discussed in length in Chapter 3. Our …

A Complete Approach To Predict Biodistribution Of Nanomaterials Within Animal Species From In-Vitro Data, Edward Price

Electronic Theses and Dissertations

Smart drug-design for antibody and nanomaterial-based therapies allows for optimization of drug efficacy and more efficient early-stage pre-clinical trials. The ideal drug must display maximum efficacy at target tissue sites, but to track and predict distribution to these sites, one must have a mechanistic understanding of the kinetics involved with the individual cells of the tissue itself. This process can be tracked through biological simulations coupled with in-vitro approaches, which result in a rapid and efficient in-depth understanding of drug transport within tissue vasculature and cellular environment. As a result, it becomes possible to predict drug biodistribution within live animal …

The Evaluation Of Classifier Performance On The Forensic Analysis Of Fire Debris And The Expansion Of The Substrate Database, Alyssa Allen

Electronic Theses and Dissertations

The current protocols in fire debris analysis rely on ignitable liquid pattern recognition and the identification of target compounds. These practices allow fire debris analysts to determine whether a sample contains or is absent of ignitable liquid residue and to classify that type of ignitable liquid based upon subjective thresholds. A statistical approach using computationally mixed datasets was devised in this research to generate an objective approach to the classification of fire debris samples and to determine error rates. Quadratic, linear, and partial least squares linear discriminant analysis (QDA, LDA, and PLS-DA) models were developed and evaluated to determine the …

Anthocyanin Stability In Food Products Made With Freeze-Dried Blueberry Powder, Samantha R. Findley, Luke Howard

Discovery, The Student Journal of Dale Bumpers College of Agricultural, Food and Life Sciences

This study evaluated the stability of anthocyanins in six blueberry products (gummy, graham bar, oatmeal bar, rice krispy bar, ice pop and juice) prepared with freeze-dried wild blueberry powder during processing and over eight weeks storage. Total anthocyanins were determined by HPLC before processing and at day 0 and 2, 4, 6, and 8 weeks of storage. Thermal processing of gummy and graham bar products resulted in losses of anthocyanins (50 and 31%, respectively). An eight-week storage time also resulted in a decrease in anthocyanins (7 to 51%) in products stored at ambient temperature. The ice pop, which was stored …

Cis/Trans Energetics In Epoxide, Thiirane, Aziridine And Phosphirane Containing Cyclopentanols: Effects Of Intramolecular Oh···O,S,N And P Contacts, Ben E. Smith, Jeremy M. Carr, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

A recent computational analysis of the stabilizing intramolecular OH···O contact in 1,2-dialkyl-2,3-epoxycyclopentanol diastereomers has been extended to thiiriane, aziridine and phosphirane analogues. Density functional theory (DFT), second-order Møller-Plesset perturbation theory (MP2) and CCSD(T) coupled-cluster computations with simple methyl and ethyl substituents indicate that electronic energies of the cis isomers are lowered by roughly 3 to 4 kcal mol⁻¹ when the OH group of these cyclopentanol systems forms an intramolecular contact with the O, S, N or P atom on the adjacent carbon. The results also suggest that S and P can participate in these stabilizing intramolecular interactions as effectively …

Bending Wave Based Characterization Of Viscoelastic Materials, Max Miller, Sadeq Malakooti, Tahereh Taghvaee, Ning Xiang, Hongbing Lu, Nicholas Leventis

Chemistry Faculty Research & Creative Works

Obtaining broadband dynamic mechanical properties of viscoelastic materials is challenging. Commercially available characterization equipment is typically limited to about 500 Hz. Ultrasonic testing is a common strategy but requires time-temperature superposition extrapolation to audible frequencies. These techniques are indirect and sensitive to inhomogeneities. Modal methods do not yield broadband data and can fail for materials with high loss factors. A new relatively simple characterization method, relying on bending wave excitation and laser Doppler vibrometer measurement, is proposed. Complex elastic moduli and phase speeds are now attainable over the entire range of building acoustics frequencies. The materials under test are an …

Construction Of A Cross-Layer Linked G-Octamer Via Conformational Control: A Stable G-Quadruplex In H-Bond Competitive Solvents, Ying He, Yanbin Zhang, Luksaz Wojtas, Novruz G. Akhmedov, David Thai, Heng Wang, Xiaopeng Li, Hao Guo, Xiaodong Shi

Faculty & Staff Scholarship

Methanol soluble and stable guanosine octamers were successfully achieved via H-bond self-assembly. Through structural conformational design, we developed a new class of guanosine derivatives with modification on guanine (8-aryl) and ribose (20 ,30 -isopropylidene). This unique design led to the formation of the first discrete G8-octamer with its structure characterized by single crystal X-ray diffraction, MS and NMR spectroscopy. The G8-octamer showed unique cation recognition properties, including the formation of a stable Rb+ templated G-quadruplex. Based on this observation, further modification on the 8-aryl moiety was performed to incorporate a cross-layer H-bond or covalent linkage. Similar G-octamers were obtained in …

Construction Of Trisubstituted Chromone Skeletons Carrying Electron-Withdrawing Groups Via Phio-Mediated Dehydrogenation And Its Application To The Synthesis Of Frutinone A, Qiao Li, Chen Zhuang, Donghua Wang, Wei Zhang, Rongxuan Jia, Fengxia Sun, Yilin Zhang, Yunfei Du

Faculty & Staff Scholarship

Abstract

The construction of the biologically interesting chromone skeleton was realized by PhIO-mediated dehydrogenation of chromanones under mild conditions. Interestingly, this method also found application in the synthesis of the naturally occurring frutinone A.

Effect Of Bulk Composition On The Heterogeneous Oxidation Of Semi-Solid Atmospheric Aerosols, Hanyu Fan, Fabien Goulay

Faculty & Staff Scholarship

Abstract: The OH-initiated heterogeneous oxidation of semi-solid saccharide particles with varying bulk compositions was investigated in an atmospheric pressure flow tube at 30% relative humidity. Reactive uptake coefficients were determined from the rate loss of the saccharide reactants measured by mass spectrometry at different monosaccharide (methyl-β-d-glucopyranoside, C7H14O6) and disaccharide (lactose, C12H22O11) molar ratios. The reactive uptake for the monosaccharide was found to decrease from 0.53 ± 0.10 to 0.05 ± 0.06 as the mono-to-disaccharide molar ratio changed from 8:1 to 1:1. A reaction–diffusion model was developed in order to determine the effect of chemical composition on the reactive uptake. The …

Solvation Of Isoelectronic Halide And Alkali Metal Ions By Noble Gas Atoms, Carly A. Rock

Honors Theses

Alkali metal cations (M+ = Li+, Na+, K+, and Rb+), as well as their corresponding isoelectronic atomic anions (X− = H−, F−, Cl−, and Br−) were solvated with argon atoms (i.e., M+Arn and X−Arn where n=1−6). Full geometry optimizations were performed using the MP2 electronic structure method with a series of correlation consistent basis sets augmented with diffuse functions on argon and the anions (aug-cc-pVXZ) and weighted core valence basis sets were used for the cations (cc-pwCVXZ) that include the appropriate pseudopotentials for K+ and Rb+ (cc-pwCVXZ-PP). The basis sets for a particular cluster are, hereafter, simply denoted as XZ …

Synthesis Of A Novel Tetradentate Ligand And Its Copper Complex For Redox Shuttle Applications, Joseph T. Vaughan

Honors Theses

With growing energy demands, alternatives to the traditional non-renewable fuel sources are currently being explored. Of these alternative fuel sources, solar energy, particularly dye-sensitized solar cells (DSSC), have garnered considerable interest. Traditional redox mediators within these solar cells have been triiodide/iodide couples, which pose several complications due to their corrosiveness, absorption in the visible range, and efficiency, motivating the development of better redox couples for next generation DSSCs. Thus, transition metal complexes have rapidly gained traction as a potential replacement for this traditional I-/I3- based system. In this study, a novel tetradentate ligand framework and its copper and nickel complexes …

A Hydrogen-Bond Stabilized Mechanism Of Oxygen Evolution In Photosystem Ii: A Proposed Computational Experiment, Christopher King

Undergraduate Theses, Professional Papers, and Capstone Artifacts

The ability of plants to take in water and release oxygen into the atmosphere is crucial to the survival of life on Earth. During photosynthesis, water is oxidized to O₂ (dioxygen) at the Oxygen Evolving Complex (OEC) of Photosystem II. Structurally, the OEC resembles a box with an open lid, consisting of metal atoms (four manganese and one calcium) bridged by oxygen atoms. The mechanism of action of this complex, however, is not well understood. Various mechanisms have been proposed in recent years to explain how the OEC oxidizes water to dioxygen, but all of these mechanisms contain gaps …

Exploring Wells-Dawson Clusters Associated With The Small Ribosomal Subunit, Debbie C. Crans, Irma Sánchez-Lombardo, Craig C. Mclauchlan

Faculty Publications – Chemistry

The polyoxometalate P2W18O626-, the Wells-Dawson cluster, stabilized the ribosome sufficiently for the crystallographers to solve the phase problem and improve the structural resolution. In the following we characterize the interaction of the Wells-Dawson cluster with the ribosome small subunit. There are 14 different P2W18O626- clusters interacting with the ribosome, and the types of interactions range from one simple residue interaction to complex association of multiple sites including backbone interactions with a Wells-Dawson cluster. Although well-documented that bridging oxygen atoms are the main basic sites on other polyoxometalate interaction with most proteins reported, the W=O groups are the main sites of …

Chem 124-010: General Chemistry Lab, Ngozi Onyia

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 124-102: General Chemistry Lab, Pin Gu

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Evsc 416-002: Environmental Toxicology, Pradyot Patnaik

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 125-102: General Chemistry I, Daniel Radoff

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 491-813: Independent Study, Alisa Krishtal

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 236-004: Physical Chemistry For Chemical Engineers, Alisa Krishtal

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 244-102: Organic Chemistry Ii, A Castro

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 124-004: General Chemistry Lab, Pin Gu

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 124-006: General Chemistry Lab, Pin Gu

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 125-004: General Chemistry I, Kathleen Gilbert

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.