Physical Sciences and Mathematics Commons^™

Synthesis And Anti-Helicobacter Pylori Activity Of (4-Nitro-1-Imidazolylmethyl)-1,2,4-Triazoles, 1,3,4-Thiadiazoles, And 1,3,4-Oxadiazoles, Asal Fallah-Tafti, Tahmineh Akbarzadeh, Parastoo Saniee, Farideh Siavoshi, Abbas Shafiee, Alireza Foroumadi

Turkish Journal of Chemistry

A series of [(4-nitro-1H-imidazol-1-yl)methyl]-1,2,4- triazoles and 1,3,4-thiadiazoles were prepared and evaluated for their activity against sensitive and resistant H. pylori strains. Study of the structure-activity relationship of these series of compounds indicated that the type of nitroimidazole moiety and the pendent group on the heteroaryl analog dramatically impact the anti-H. pylori activity. In triazole series, compound 5d, containing a 4-methyl phenyl group on the triazole ring, was the most potent compound tested against both metronidazole-sensitive and -resistant strains at a concentration of 8 \mu g.

Molecular Modeling And Antimycobacterial Studies Of Mannich Bases: 5-Hydroxy-2-Methyl-4h-Pyran-4-Ones, Barkin Berk, Demet Us, Si̇nem Öktem, Zühtü Tanil Kocagöz, Berrak Çağlayan, Işil Aksan Kurnaz, Di̇lek Demi̇r Erol

Turkish Journal of Chemistry

The World Health Organization lists tuberculosis among the top 3 leading causes of death from a single infectious agent, and reported cases of multidrug-resistant tuberculosis (MDR-TB) are on the rise. In an attempt to improve MDR-TB drug-directed therapy, we synthesized 11 4-substituted piperazine derivatives of 3-hydroxy-6-methyl-4H-pyran-4-one pharmacophore by reacting 5-hydroxy-2-methyl-4H-pyran-4-one with suitable piperazine derivatives under Mannich reaction conditions. Inhibitory effects of the 11 compounds on Escherichia coli DNA gyrase were evaluated via DNA gyrase supercoiling assay. The minimum inhibitory concentrations (MIC) of the 11 compounds and 41 compounds from our previous studies against Mycobacterium tuberculosis H37RV were assessed, in vitro, …

Synthesis And In Vitro Antimycobacterial Activities Of Novel 6-Substituted-3(2h)-Pyridazinone-2-Acetyl-2-(Substituted/ Nonsubstituted Acetophenone) Hydrazone, Semra Utku, Mehtap Gökçe, Gönül Aslan, Gül Bayram, Mahmut Ülger, Gürol Emekdaş, Mustafa Fethi̇ Şahi̇n

Turkish Journal of Chemistry

The difficulty in managing tuberculosis includes the prolonged duration of the treatment, the emergence of drug resistance, and coinfection with HIV/AIDS. Tuberculosis control requires new drugs that act on novel drug targets to help in combating resistant forms of Mycobacterium tuberculosis and reduce the treatment duration. For this purpose, 6-substituted-3(2H)-pyridazinone-2-acetyl-2- (substituted/nonsubstituted acetophenone) hydrazone derivatives were synthesized and their structures were elucidated by elemental analyses, IR, and ^1H-NMR. The in vitro antimycobacterial activities of synthesized compounds 5a-l were determined by the agar proportion method against Mycobacterium tuberculosis H37Rv. Among the target compounds, 5b and 5f exhibited the best antimycobacterial activity, with …

E)--2--Acetyl--4--(4--Methoxyphenyldiazenyl) Phenol: X--Ray And Dft--Calculated Structure, Serap Yazici, Çi̇ğdem Albayrak, İsmai̇l Erdem Gümrükçüoğlu, İsmet Şenel, Orhan Büyükgüngör

Turkish Journal of Chemistry

The crystal structure of the title compound, (E)-2-acetyl-4-(4-methoxyphenyldiazenyl) phenol, displays a trans configuration of the azo moiety as found for other azo (diazene) derivatives. The aromatic mean planes are nearly coplanar and the dihedral angle between the 2 aromatic rings is 3.04(8)°. The molecules, with strong intramolecular O--H...O hydrogen bonding, are linked by weak van der Waals interactions in the 3-dimensional network. The molecular geometry, determined using X-ray diffraction techniques, was also calculated with the density functional theory (DFT), employing the hybrid exchange-correlation functional B3LYP. Experimental and theoretical IR spectra of the compound were also calculated for comparison. The results …

Searching The Protein Structure Database For Ligand-Binding Site Similarities Using Cpass V.2, Robert Powers, Jennifer C. Copeland, Jaime L. Stark, Adam Caprez, Ashu Guru, David R. Swanson

Robert Powers Publications

Background: A recent analysis of protein sequences deposited in the NCBI RefSeq database indicates that ~8.5 million protein sequences are encoded in prokaryotic and eukaryotic genomes, where ~30% are explicitly annotated as “hypothetical” or “uncharacterized” protein. Our Comparison of Protein Active-Site Structures (CPASS v.2) database and software compares the sequence and structural characteristics of experimentally determined ligand binding sites to infer a functional relationship in the absence of global sequence or structure similarity. CPASS is an important component of our Functional Annotation Screening Technology by NMR (FAST-NMR) protocol and has been successfully applied to aid the annotation of a number …

Soil Moisture: A Central And Unifying Theme In Physical Geography, Rezaul Mahmood

School of Natural Resources: Faculty Publications

No abstract provided.

Heat Flux Measurements And Modeling Of Malodorous Compounds Above An Anaerobic Swine Lagoon, Rezaul Mahmood

School of Natural Resources: Faculty Publications

No abstract provided.

Robustness Analysis Of Slow Learning In Iterative Learning Control Systems, John R. Singler, Douglas A. Bristow

Mechanical and Aerospace Engineering Faculty Research & Creative Works

This paper examines robust stability and robust transient growth in Iterative Learning Control (ILC). It is well known that small perturbations in system dynamics can result in very large transient growth of some ILC systems. Even larger perturbations can result in instability. One ad hoc technique commonly employed to improve robustness is to slow the learning rate by reducing the learning filter gain or lowpass filtering the error signal. Here, pseudospectra analysis is used to analyze the robustness of ILC algorithms with slow learning. It is found that robustness bounds can be increased and transient growth decreased with decreasing learning …

Cognitive Radio Network With A Distributed Control Channel And Quality-Of-Service Solution, Urban Terrell Wiggins

LSU Doctoral Dissertations

The proliferation of wireless access and applications to the Internet and the advent of a myriad of highly evolved portable communication devices; creates the need for an efficiently utilized radio spectrum. This is paramount in the licensed and unlicensed radio frequency bands, that spawn an exponential growth in Dynamic Spectrum Access (DSA) research, Cognitive Radio (CR) and Cognitive Radio Networks (CRN) research. DSA research has given way to the paradigm shift toward CR with its dynamic changes in transmission schemas. This paradigm shift from a fixed and centralized frequency spectrum environment has morphed into a dynamic and decentralized one. CR …

Prediction Of Brain Tumor Progression Using Multiple Histogram Matched Mri Scans, Debrup Banerjee, Loc Tran, Jiang Li, Yuzhong Shen, Frederic Mckenzie, Jihong Wang, Ronald M. Summers (Ed.), Bram Van Ginneken (Ed.)

Electrical & Computer Engineering Faculty Publications

In a recent study [1], we investigated the feasibility of predicting brain tumor progression based on multiple MRI series and we tested our methods on seven patients' MRI images scanned at three consecutive visits A, B and C. Experimental results showed that it is feasible to predict tumor progression from visit A to visit C using a model trained by the information from visit A to visit B. However, the trained model failed when we tried to predict tumor progression from visit B to visit C, though it is clinically more important. Upon a closer look at the MRI scans …

Evaluation Of The Physicochemical Properties And Stability Of Solid Lipid Nanoparticles Designed For The Delivery Of Dexamethasone To Tumors, Melissa Howard

University of Kentucky Doctoral Dissertations

Pre-clinical and clinical trials suggest that pre-treatment with dexamethasone (Dex) may facilitate enhanced uptake of subsequently administered chemotherapeutic agents. To reduce the side effects associated with systemic administration of Dex, solid lipid nanoparticles (SLNs) containing dexamethasone palmitate (Dex-P) were prepared as a means of achieving tumor-targeted drug delivery. These studies were aimed at evaluating the physicochemical properties and both the physiological and storage stability of the SLNs.

SLNs were prepared using nanotemplate engineering technology. Stearyl alcohol (SA) was used as the lipid phase with Brij^® 78 and Polysorbate 60 as surfactants and PEG6000 monostearate as a long-chain PEGylating agent. …

Petrologic, Geochemical, And Geochronologic Constraints On The Tectonic Evolution Of The Southern Appalachian Orogen, Blue Ridge Province Of Western North Carolina, Eric Douglas Anderson

University of Kentucky Doctoral Dissertations

The Blue Ridge Province of western North Carolina contains a wide variety of metamorphosed igneous and sedimentary rocks that record the tectonic effects of Precambrian and Paleozoic orogenic cycles. Tectonic interpretations of the events that led to the present configuration are varied and often conflicting. This investigation examines metamorphosed mafic rocks that are widely interpreted to have formed during the closure of ocean basins. Metabasites, and specifically eclogites, have a tendency to mark tectonic sutures and frequently preserve pressure (P), temperature (T), and age data (t) that can be gleaned from mineral equilibria and U-Pb isotopic compositions. As such, the …

Fabrication And Characterization Of Mesoscale Protein Patterns Using Atomic Force Microscopy (Afm), Pei Gao

University of Kentucky Doctoral Dissertations

A versatile AFM local oxidation lithography was developed for fabricating clean protein patterns ranging from nanometer to sub-millimeter scale on octadecyltrichlorosilane (OTS) layer of Si (100) wafer. This protein patterning method can generate bio-active protein pattern with a clean background without the need of the anti-fouling the surface or repetitive rinsing.

As a model system, lysozyme protein patterns were investigated through their binding reactions with antibodies and aptamers by AFM. Polyclonal anti-lysozyme antibodies and anti-lysozyme aptamer are found to preferentially bind to the lysozyme molecules on the edge of a protein pattern before their binding to the interior ones. It …

Interactions And Effects Of Biomolecules On Au Nanomaterial Surfaces, Manish Sethi

University of Kentucky Doctoral Dissertations

Au nanoparticles are increasingly being used in biological applications. Their use is of interest based upon their unique properties that are achieved at the nanoscale, which includes strong optical absorbances that are size and aggregation state dependent. Such absorbances can be used in sensitive chemical/biological detection schemes where bioligands can be directly attached to the nanoparticle surface using facile methods. Unfortunately, a number of complications persist that prevent their wide-scale use. These limitations include minimal nanoparticle stability in biological-based media of high ionic strength, unknown surface functionalization effects using simple biomolecules, and determining the binding motifs of the ligands to …

Resource Allocation And Efficient Routing In Wireless Networks, Jianjun Yang

University of Kentucky Doctoral Dissertations

In wireless networks, devices (nodes) are connected by wireless links. An important issue is to set up high quality (high bandwidth) and efficient routing paths when one node wants to send packets to other nodes. Resource allocation is the foundation to guarantee high quality connections. In addition, it is critical to handle void areas in order to set up detour-free paths. Moreover, fast message broadcasting is essential in mobile wireless networks. Thus, my research includes dynamic channel allocation in wireless mesh networks, geographic routing in Ad Hoc networks, and message broadcasting in vehicular networks.

The quality of connections in a …

New Photovoltaic Acceptors: Synthesis And Characterization Of Functionalized C-Fused Anthradithiophene Quinones, Kerri Shelton

University of Kentucky Master's Theses

Stable organic semiconductors are critical to produce inexpensive, efficient and flexible thin film organic solar cells. A current chemical focus is the synthesis of stable, electron-accepting materials to be utilized as an acceptor layer in photovoltaics.¹ The Anthony group has shown that the functionalization of pentacene with suitable electron withdrawing groups provides a catalog of suitable acceptors for this purpose.² These pentacenes can be further modified to pack in a unique 1-dimensional "sandwich herringbone" crystal packing, leading to improved device current.³ To improve the stability of acene acceptors, we have taken two hetero-atom themed approaches. First, we …

Development Of Novel Electrophilic Ruthenium(Ii) And Iridium(Iii) Complexes And Their Applications As Homogeneous Catalysts, Ryan R. Ketcham

University of Kentucky Master's Theses

Our aim was to develop the synthetic potential and reaction chemistry of Ir³⁺ and Ru²⁺ electrophiles by preparing well-characterized complexes whose properties are controllable by modification of the ancillary ligand environment Specifically, we prepared a series of ruthenium complexes to serve as selective hydrogenation and hydrogenolysis catalysts of furan derivatives. We also expanded the synthesis of electrophilic Ir³⁺ di-thiolate complexes. These types of compounds could eventually serve as catalysts precursors for the addition of weak nucleophiles to alkynes and nitriles.

Fate Of Stable Isotope Label During Predation Of 15N-Tagged Wild-Type Escherichia Coli By Protozoa, Ashley M. Barton

University of Kentucky Master's Theses

Currently, bacterial movement in karst aquifers is not well understood. Use of stable isotopes to label non-pathogenic Escherichia coli as a particulate groundwater tracer in karst systems has been examined in previous studies. Loss of the stable isotope signal is anticipated in traces greater than 500 m in length. Potential loss of ¹⁵N due to predation by protozoa was examined. Filter-sterilized water from Royal Spring in Georgetown, Kentucky, was inoculated with a mixture of either Tetrahymena pyriformis or Colpoda steinii and ¹⁵N-enriched E. coli and stored in the dark at 14°C. Samples were analyzed for their nitrogen isotope …

Robust Integral Of Neural Network And Sign Of Tracking Error Control Of Uncertain Nonlinear Affine Systems Using State And Output Feedback, Qinmin Yang, Sarangapani Jagannathan, Youxian Sun

Electrical and Computer Engineering Faculty Research & Creative Works

This paper presents a novel state and output feedback control law for the tracking control of a class of multi-input-multi-output (MIMO) continuous time nonlinear systems with unknown dynamics and disturbance input. First the state feedback-based control law is designed which consists of the robust integral of a neural network (NN) output plus the sign of the tracking error signal multiplied with an adaptive gain. the two-layer NN learns the system dynamics in an online manner while the NN residual reconstruction errors and the bounded system disturbances are overcome by the error sign signal. Both of the NN output and error …

Do We Need M&S Science?, Jose J. Padilla, Saikou Y. Diallo, Andreas Tolk

VMASC Publications

No abstract provided.

Stochastic Optimal Control Design For Nonlinear Networked Control System Via Neuro Dynamic Programming Using Input-Output Measurements, Hao Xu, Sarangapani Jagannathan

Electrical and Computer Engineering Faculty Research & Creative Works

Neuro dynamic programming (NDP) techniques for optimal control of nonlinear network control system (NNCS) are not addressed in the literature. Therefore, in this paper, a novel NNCS representation incorporating the unknown system uncertainties and network imperfections is introduced first by using input and output measurements. Then, an online neural network (NN) identifier is introduced to estimate the control coefficient matrix. Subsequently, the critic NN and action NN are employed along with the NN identifier to determine the forward-in-time, time-Based stochastic optimal control of NNCS without using value and policy iterations. Instead, value function and control inputs are updated at every …

Investigation Of Synthetic Methods For Preparation Of 2O-Amino Derivatives Of 5-Amino- 1, 10-Phenanthroline: Applications To Cu+2 Based Impedance Sensors, Satish B. Chunchu

Master's Theses and Doctoral Dissertations

The main purpose of this project is to synthesize 2^o - derivatives of 5-amino-1, 10- phenanthroline (5-aphen) for application as self-assembled monolayers on gold interdigitated electrode array chips in standard impedance and impedance resonance-based Cu²⁺ sensors. Potential applications include monitoring Cu²⁺ leaching from anti-fouling coatings on ship hulls. The importance of the planned secondary alkyl amino derivatives will be to test their binding properties to the gold surface through dithiocarbamate linkages by monitoring the IDE impedance signal. Practical sensor development requires good impedance response, maximum binding to the gold IDE chip, and maximum long term stability of …

Towards Transient Growth Analysis And Design In Iterative Learning Control, Douglas A. Bristow, John R. Singler

Mechanical and Aerospace Engineering Faculty Research & Creative Works

In this article the problem of bounding transient growth in iterative learning control (ILC) is examined. While transient growth is not a desirable property, the alternative, robust monotonic convergence, leads to fundamental performance limitations. to circumvent these limitations, this article considers the possibility that some transient growth, if properly limited, is a viable and practical option. Towards this end, this article proposes tools for analysing worst-case transient growth in ILC. the proposed tools are based on pseudospectra analysis, which is extended to apply to ILC of uncertain systems. Two practical problems in norm-optimal ILC weighting parameter design are considered. Using …

Classroom Manipulative To Engage Students In Mathematical Modeling Of Disease Spread: 1 + 1 = Achoo!, H. Gaff, M. Lyons, G. Watson

Biological Sciences Faculty Publications

Infectious diseases ranging from the common cold to cholera affect our society physically, emotionally, ecologically, and economically. Yet despite their importance and impact, there remains a lack of effective teaching materials for epidemiology and disease ecology in K-12, undergraduate, and graduate curricula [2]. To address this deficit, we've developed a classroom lesson with three instructional goals: (1) Familiarize students on basic concepts of infectious disease ecology; (2) Introduce students to a classic compartmental model and its applications in epidemiology; (3) Demonstrate the application and importance of mathematical modeling as a tool in biology. The instructional strategy uses a game-based mathematical …

Crystallization And Preliminary X-Ray Crystallographic Analysis Of Ligand-Free And Arginine-Bound Forms Of Thermotoga Maritima Arginine-Binding Protein, Alessia Ruggiero, Jonathan D. Dattelbaum, Anna Pennacchio, Luisa Iozzion, Maria Staiano, Matthew S. Luchansky, Bryan S. Der, Rita Berisio, Sabato D'Auria, Luigi Vitagliano

Chemistry Faculty Publications

The arginine-binding protein from Thermotoga maritima (TmArgBP) is an arginine-binding component of the ATP-binding cassette (ABC) transport system in this hyperthermophilic bacterium. This protein is endowed with an extraordinary stability towards thermal and chemical denaturation. Its structural characterization may provide useful insights for the clarification of structure– stability relationships and for the design of new biosensors. Crystallization trials were set up for both arginine-bound and ligand-free forms of TmArgBP and crystals suitable for crystallographic investigations were obtained for both forms. Ordered crystals of the arginine adduct of TmArgBP could only be obtained by using the detergent LDAO as an additive …

Charge Saturation And Neutral Substitutions In Halomethanes And Their Group 14 Analogues, Bernard K. Wittmaack, Chad Crigger, Matthew Guarino, Kelling J. Donald

Chemistry Faculty Publications

A computational analysis of the charge distribution in halomethanes and their heavy analogues (MH_4-nX_n: M= C, Si, Ge, Sn, Pb; X = F, Cl, Br, I) as a function of _n uncovers a previously unidentified saturation limit for fluorides when M ≠ C. We examine the electron densities obtained at the CCSD, MP2(full), B3PW91, and HF levels of theory for 80 molecules for four different basis sets. A previously observed substituent independent charge at F in fluoromethanes is shown to be a move toward saturation that is restricted by the low polarizability of C. This limitation …

Stabilizing Carbon-Lithium Stars, Nancy Perez-Peralta, Maryel Contreras, William Tiznado, John Stewart, Kelling J. Donald, Gabriel Merino

Chemistry Faculty Publications

We have explored in silico the potential energy surfaces of the C₅Li_n^n-6 (n = 5, 6, and 7) clusters using the Gradient Embedded Genetic Algorithm (GEGA) and other computational strategies. The most stable forms of C₅Li_5-^- and C₅Li₆ are two carbon chains linked by two lithium atoms in a persistent seven membered ring capped by two Li atoms. The other Li atoms are arrayed on the edge of the seven membered ring. In contrast, the global minimum structure for C₅Li₇⁺ is a bicapped star …

Synthesis, Assembly, And Characterization Of Monolayer-Protected Gold Nanoparticle Films For Protein Monolayer Electrochemistry,, Tran T. Doan, Michael H. Freeman, Adrienne R. Schmidt, Natalie T. Nguyen, Michael C. Leopold

Chemistry Faculty Publications

Colloidal gold nanoparticles protected with alkanethiolate ligands called monolayer protected gold clusters (MPCs) are synthesized and subsequently incorporated into film assemblies that serve as adsorption platforms for protein monolayer electrochemistry (PME). PME is utilized as the model system for studying electrochemical properties of redox proteins by confining them to an adsorption platform at a modified electrode, which also serves as a redox partner for electron transfer (ET) reactions. Studies have shown that gold nanoparticle film assemblies of this nature provide for a more homogeneous protein adsorption environment and promote ET without distance dependence compared to the more traditional systems modified …

Study Of Differential Cross Section Using Different Bound State Potentials, Ass'ad I. Ass'ad

Turkish Journal of Physics

In this study, heavy ion reactions of ^6Li + (^{58}Ni, ^{28}Si, ^{12}C) and ^7Li + ^{12}C are studied using different bound state potentials, within the framework of the Distorted Wave Bourn Approximation (DWBA) calculations. Woods-Saxon potential is expressed as the optical potential in the initial and final channels together with a Coulomb potential. The calculations of the angular distributions are found to be in a good agreement with the experimental data. The extracted spectroscopic factors are reasonable.

A Quantum Theory Of The Scattering Of Soft X-Ray From Compton Effect Caused Electron Standing Wave In The Materials, Biswajit Mallick

Turkish Journal of Physics

In the present investigation, low-energy x-rays (