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Highly Swelling Ph-Responsive Microgels For Dual Mode Near Infra-Red Fluorescence Reporting And Imaging, Mingning Zhu, Dongdong Lu, Qing Lian, Shanglin Wu, Wenkai Wang, L. Andrew Lyon, Weiguang Wan, Paulo Bártolo, Mark Dickinson, Brian R. Saunders 2020 University of Manchester

Highly Swelling Ph-Responsive Microgels For Dual Mode Near Infra-Red Fluorescence Reporting And Imaging, Mingning Zhu, Dongdong Lu, Qing Lian, Shanglin Wu, Wenkai Wang, L. Andrew Lyon, Weiguang Wan, Paulo Bártolo, Mark Dickinson, Brian R. Saunders

Engineering Faculty Articles and Research

Near infra-red (NIR) fluorescence is a desirable property for probe particles because such deeply penetrating light enables remote reporting of the local environment in complex surroundings and imaging. Here, two NIR non-radiative energy transfer (NRET) fluorophores (Cy5 and Cy5.5) are coupled to preformed pH-responsive poly(ethylacrylate-methacrylic acid-divinylbenzene) microgel particles (PEA-MAA-5/5.5 MGs) to obtain new NIR fluorescent probes that are cytocompatible and swell strongly. NIR ratiometric photoluminescence (PL) intensity analysis enables reporting of pH-triggered PEA-MAA-5/5.5 MG particle swelling ratios over a very wide range (from 1–90). The dispersions have greatly improved colloidal stability compared to ...


Electrostatic Denaturation Of Dna-Cisplatin Adducts, Eddie Madrigal 2020 University of San Francisco

Electrostatic Denaturation Of Dna-Cisplatin Adducts, Eddie Madrigal

Master's Theses

In this thesis, electrochemical approaches are used to determine the properties of deoxyribonucleic acid (DNA) by electrostatic denaturation. The electrochemical routine involves an application of a destabilization potential, an equilibration potential, and a square wave voltammogram (SWV) to monitor the extent of melting. Our method uses a monolayer consisting of thiol modified DNA and mercaptohexanol on a gold electrode. These electrodes are then incubated in a complementary sequence tagged with methylene blue. By using our electrostatic denaturation technique, different parameters are explored, such as surface densities, surface coverages, and ionic strengths. As proof of concept, these techniques were applied toward ...


Allosteric Regulation At The Crossroads Of New Technologies: Multiscale Modeling, Networks, And Machine Learning, Gennady M. Verkhivker, Steve Agajanian, Guang Hu, Peng Tao 2020 Chapman University

Allosteric Regulation At The Crossroads Of New Technologies: Multiscale Modeling, Networks, And Machine Learning, Gennady M. Verkhivker, Steve Agajanian, Guang Hu, Peng Tao

Mathematics, Physics, and Computer Science Faculty Articles and Research

Allosteric regulation is a common mechanism employed by complex biomolecular systems for regulation of activity and adaptability in the cellular environment, serving as an effective molecular tool for cellular communication. As an intrinsic but elusive property, allostery is a ubiquitous phenomenon where binding or disturbing of a distal site in a protein can functionally control its activity and is considered as the “second secret of life.” The fundamental biological importance and complexity of these processes require a multi-faceted platform of synergistically integrated approaches for prediction and characterization of allosteric functional states, atomistic reconstruction of allosteric regulatory mechanisms and discovery of ...


The Development Of A Surface Enhanced Raman Spectroscopy Method For The Detection Of Synthetic Cannabinoids In Urine, Thaddeus Mostowtt 2020 Florida International University

The Development Of A Surface Enhanced Raman Spectroscopy Method For The Detection Of Synthetic Cannabinoids In Urine, Thaddeus Mostowtt

FIU Electronic Theses and Dissertations

The use and abuse of synthetic cannabinoids has increased significantly in recent years due to their easy access and growing popularity. Despite having more known drugs become illegal, new synthetic versions of these drugs are being made that have not yet been recognized or classified as illegal substances. Therefore, standard methods may not be able to detect these drugs.

The most common method of screening detection for drugs of abuse in biological samples is the immunoassay. However, the immunoassay method presents some disadvantages, particularly for newly synthesized compounds. More advanced methods have also been used, such as LC-MS; however, these ...


A Benchmark Of Gutzwiller Conjugate Gradient Minimization Method In Ground State Energy Calculations Of Dimers, Yue-Hang Dong, Zhuo Ye, Wen-Cai Lu, Yong-Xin Yao, Cai-Zhuang Wang, Kai-Ming Ho 2020 Jilin University and Qingdao University

A Benchmark Of Gutzwiller Conjugate Gradient Minimization Method In Ground State Energy Calculations Of Dimers, Yue-Hang Dong, Zhuo Ye, Wen-Cai Lu, Yong-Xin Yao, Cai-Zhuang Wang, Kai-Ming Ho

Ames Laboratory Accepted Manuscripts

We present numerical results of ground-state energies of 9 molecules in the well-established G2 molecule set given by the Gutzwiller conjugate gradient minimization (GCGM) method. The method, beyond the commonly used Gutzwiller approximation, was recently developed based on Gutzwiller variational wave functions. We find that compared to benchmark data given by full configuration interaction, GCGM total energies are reasonably well reproduced with the minimum basis set. To include the dynamical correlation beyond the minimal basis calculations, we adopt the local density approximation for the dynamical correlation energy E-c. By comparing the results with benchmark data given by experiments and large-basis ...


Systematic Comparison Of Pre-Treatment Parameters In Forensic Hair Analysis And Investigating Hair-Drug Interactions, Jennett Chenevert Aijala 2020 Florida International Universty

Systematic Comparison Of Pre-Treatment Parameters In Forensic Hair Analysis And Investigating Hair-Drug Interactions, Jennett Chenevert Aijala

FIU Electronic Theses and Dissertations

Forensic toxicological analysis for the purposes of protecting human health and supporting criminal justice activities can be achieved, in part, by means of analysis of human head hair for detection of abused substances. Hair is considered an alternative sample matrix (compared to blood and urine) because of persistent interpretive challenges caused by a lack of standardization in analytical approaches and poor understanding of the biases resulting from physicochemical interactions between major hair components (e.g., melanin) and drugs of abuse. Some of the uncertainty regarding optimal techniques for the pre-treatment of hair specimens results from the unknown nature of the ...


I. Non-Degradable Polysiloxane Networks For Controlled Release Applications, And Ii. Additive Free, Degradable Silyl-Ether Furyl-Maleimide Networks, Caleb M. Bunton 2020 Southern Methodist University

I. Non-Degradable Polysiloxane Networks For Controlled Release Applications, And Ii. Additive Free, Degradable Silyl-Ether Furyl-Maleimide Networks, Caleb M. Bunton

Chemistry Theses and Dissertations

I. Two different series of non–degradable polysiloxane networks were prepared for the encapsulation and controlled release of a small molecule agent. For the first series, hydrosilylation was utilized to prepare networks of varying crosslink densities, as determined from swelling studies, from vinyl terminated and silylhydride functional poly(dimethyl)siloxanes. For the second series, the thiol-ene reaction was utilized to prepare networks of varying crosslink densities, as determined from swelling studies, from vinyl terminated and mercaptopropyl functional poly(dimethyl)siloxanes. Nile red dye was used as an encapsulated agent and dye release from each series of networks was measured using ...


Chemistry In Art: The Science Of Dye, Madeleine Gray Burland 2020 Bowling Green State University

Chemistry In Art: The Science Of Dye, Madeleine Gray Burland

Honors Projects

Fabric arts, and the practice of dyeing fabric using various resist techniques, is a tradition that goes back centuries, and is unique among art mediums in its relation to science, as the innovations in dye production have directly affected the art form. The development of synthetic dyes in the 1800’s greatly affected the way fabric is dyed, and subsequently the way clothes were made and consumed. As opposed to dyes made of natural materials, synthetic dyes cam in more colors, were brighter, easier to make in large quantities, and lasted longer since they didn’t fade with repeated washings ...


Mechanistic Study Of Cooperative Ligand-Centered Reactivity In Triaminoborane-Bridged Diphosphine Complexes, Clara Kirkvold 2020 University of South Dakota

Mechanistic Study Of Cooperative Ligand-Centered Reactivity In Triaminoborane-Bridged Diphosphine Complexes, Clara Kirkvold

Honors Thesis

Reactive ligand platforms containing trisubstituted boranes have been effective in promoting new types of small molecule reactivity and catalysis with transition metals. Our project is aimed at developing triaminoborane-bridged diphosphines that participate in cooperative ligand-centered reactivity while bound to transitions metals. Here we present a density functional theory (DFT) mechanistic study on a series of ligand centered reactions at a boron center on a metal complex, PhTBDPhosMCl2 (M = Ni or Pd and TBDPhos = 1,8,10,9-triazaboradecalin). Our work focuses specifically on the nickel complexes. PhTBDPhosNiCl2 can react with several molecules to produce trans H-X addition ...


Isolation, Identification, And Investigation Of A Novel Bioactive Furanocoumarin From Leaves Of Amyris Elemifera, Amy K. Bracken 2020 University of Mississippi

Isolation, Identification, And Investigation Of A Novel Bioactive Furanocoumarin From Leaves Of Amyris Elemifera, Amy K. Bracken

Honors Theses

Plants produce biologically active compounds that humans have utilized for many agricultural applications. Amyris elemifera was investigated due to the known bioactivity of its family, Rutaceae, and its use in medicines in tribes of the Bahamas. Biotage® and TLC guided fractionation of the EtOAc, hexane, and MeOH extracts of the leaves of Amyris elemifera yielded bioactive compounds. Most significantly, a novel furanocoumarin, 8-(3-methylbut-2-enyloxy)-marmesin acetate (1), and its analog 8-(3-methylbut-2-enyloxy)-marmesin (2), were isolated. The structures were identified via NMR and X-ray crystallography techniques; the X-ray crystal structure for 1 was reported for the first time, and the ...


Resolution Of Portable Raman Spectrometers And Its Effect On The Analysis Of Biological Specimens, Jalissa Thomas 2020 University at Albany, State University of New York

Resolution Of Portable Raman Spectrometers And Its Effect On The Analysis Of Biological Specimens, Jalissa Thomas

Chemistry

Body fluid traces are a common and a major form of evidence that can be found at a crime scene, as it is a good source of DNA. As such, it is vital that body fluid evidence is properly detected and identified. Issues with the current methods of identifying body fluids and the large backlog of evidence in most forensic labs call for more accurate on-scene (in situ) body fluid identification. Past research has demonstrated that Raman spectroscopy is an advantageous tool for accurately and quickly identifying body fluids, namely in the laboratory. Portable Raman instruments have been created to ...


Effect Of Charged Lipids On The Ionization Behavior Of Glutamic Acid Containing Transmembrane Helices, Brooke Nunn 2020 University of Arkansas, Fayetteville

Effect Of Charged Lipids On The Ionization Behavior Of Glutamic Acid Containing Transmembrane Helices, Brooke Nunn

Chemistry & Biochemistry Undergraduate Honors Theses

Transmembrane proteins make up critical components of living cells. Protein function can be greatly impacted by the charged state of its respective components, the side chains of amino acid residues. Thus far, in the lipid membrane, little is known about the properties of residues such as glutamic acid. To explore these properties, I have included glutamic acid in a suitable model peptide-lipid system for fundamental biophysical experiments. Within the system, I have placed a glutamic acid residue instead of leucine in the L14 position of the helical hydrophobic peptide GWALP23 (acetyl-GGALWLALALALAL14ALALWLAGA-amide). Substitutions of glutamine and aspartic acid serve ...


Determination Of Thermodynamic Properties Of Non-Protein Amino Acids And Characterization Of Multimers Of Carbamazepine, Gwendylan Turner 2020 William & Mary

Determination Of Thermodynamic Properties Of Non-Protein Amino Acids And Characterization Of Multimers Of Carbamazepine, Gwendylan Turner

Undergraduate Honors Theses

This study has two seemingly unrelated parts that come together remarkably in displaying the comprehensive interplay between chemical structure and properties as well as the variety of analytical applications of mass spectrometry.

The first part of this study describes the determination of thermodynamic properties of several non-protein amino acids using the extended kinetic method. This is a continuation of work started in the Poutsma lab in Spring of 2017. The non-protein amino acids (NPA) studied here hold notable relevance in their unique ability to be mis-incorporated into peptide chains, as shown by the Hartman group at Virginia Commonwealth University.[1 ...


295— Biomimicry: Investigating The Active Site Model Of Lactate Racemase, Stephanie Podguski, Maisy Ross 2020 SUNY Geneseo

295— Biomimicry: Investigating The Active Site Model Of Lactate Racemase, Stephanie Podguski, Maisy Ross

GREAT Day

Because of humans’ heavy impact on nature with industrialization and resource extraction, biomimetics, also known as biomimicry, is a study that has emerged. Biomimetics utilizes observations from nature to comprehend the principles of underlying mechanisms and apply concepts that may benefit science, medicine, engineering and the like. An area of biochemistry we are applying this to is the lactate racemase enzyme.This metalloenzyme is found in many prokaryotic organisms and catalyzes the interconversion between the two optical isomers of lactic acid. The structure of this enzyme consists of a square-planar nickel (II) ion coordinated by a histidine residue and a ...


Biological Evaluation Of Fda-Approved Drugs As Mirna-31 Inhibitors Using Real Time Qrt-Pcr And A Luciferase Assay, Nicholas Sienkiewicz 2020 Western Michigan University

Biological Evaluation Of Fda-Approved Drugs As Mirna-31 Inhibitors Using Real Time Qrt-Pcr And A Luciferase Assay, Nicholas Sienkiewicz

Honors Theses

MicroRNAs (miRNAs) are a group of post-transcriptional, negative regulators of gene expression, consisting of ~19-24 nucleotides. Since their discovery in 1993, miRNAs have been found to be involved in a diverse amount of cellular and disease pathways, including certain types of cancer. Overexpression of certain oncogenic miRNAs, including miRNA-31, have been shown to play a role in cancer cell development. Recent findings have suggested that miRNAs play a significant role in every stage of colorectal cancer (CRC) initiation, progression, and development, as well as induce resistance to chemotherapy drugs like 5-FU. In particular, research has shown that increased levels of ...


Chemistry 104 Laboratory Manual, Boris Kalmatsky 2020 CUNY City College

Chemistry 104 Laboratory Manual, Boris Kalmatsky

Open Educational Resources

No abstract provided.


Using Surface-Enhanced Raman Scattering Of Gold Nanostars For Encoding Molecular Information, Samantha E. Curry 2020 University of South Dakota

Using Surface-Enhanced Raman Scattering Of Gold Nanostars For Encoding Molecular Information, Samantha E. Curry

Honors Thesis

Increases in the selling of illicit goods warrant a subsequent need for even more sophisticated methods to prevent counterfeit products from being sold. Surface-enhanced Raman spectroscopy (SERS) has the potential to be a powerful tool to thwart counterfeiters because the unique security tags fabricated with this method are difficult to reproduce without knowing the “secret” recipes used in their preparation. In this work, gold nanostars are used as SERS active substrates since their branched structure allows for strong coupling between the light and plasmonic nanoparticles. As a result, Raman signals of trace amount of chemicals can be easily detected. The ...


Quantum Chemical Lipophilicities Of Antimalarial Drugs In Relation To Terminal Half-Life, Joseph D. Alia, Sheila Karl, Tyler D. Kelly 2020 University of Minnesota - Morris

Quantum Chemical Lipophilicities Of Antimalarial Drugs In Relation To Terminal Half-Life, Joseph D. Alia, Sheila Karl, Tyler D. Kelly

Chemistry Publications

According to the WHO, artemisinin-based combination therapies (ACTs) have been integral to the recent reduction in deaths due to Plasmodium falciparum malaria. ACT-resistant strains are an emerging problem and have evolved altered developmental stages, reducing exposure of the most susceptible stages to artemisinin drugs in popular ACTs. Lipophilicity, log Kow, is a guide in understanding and predicting pharmacokinetic properties such as terminal half-life which alters drug exposure. Consistent log Kow values are not necessarily available for artemisinin derivatives designed to extend terminal half-life, increase bioavailability, and reduce neurotoxicity. For other drugs used in ACTs, an assortment of experimental ...


Characterization Of Dimerization Domains On The Mannose-6-Phosphate/Insulin-Like Growth Factor 2 Receptor, Tyler Degener 2020 University of Nebraska at Omaha

Characterization Of Dimerization Domains On The Mannose-6-Phosphate/Insulin-Like Growth Factor 2 Receptor, Tyler Degener

Student Research and Creative Activity Fair

The mannose-6-phosphate/insulin-like growth factor 2 (M6P/IGF2) receptor is a transmembrane protein with the ability to sequester growth factors from the extracellular matrix. This behavior links the receptor to tumor suppression. On a structural level, the extracellular portion of the protein is segmented into 15 homologous repeats, which can be divided further into 5 triplet domains, labelled 1-3, 4-6, 7-9, 10-12, and 13-15. Each triplet receptor displays its own unique ligand binding affinity, including the ability to form dimers with triplets on a second M6P/IGF2 receptor. In fact, previous studies indicate that this protein functions optimally when dimerized ...


Hydrogen Peroxide Triggers An Increase In Cell Surface Expression Of System XC− In Cultured Human Glioma Cells, Leah A. Chase, Mary VerHeulen Kleyn, NaTasha Schiller, Abby Goltz King, Guillermo Flores, Sasha Balcazar Engelsman, Christina Bowles, Sara Lang Smith, Anne E. Robinson, Jeffrey Rothstein 2020 Hope College

Hydrogen Peroxide Triggers An Increase In Cell Surface Expression Of System XC− In Cultured Human Glioma Cells, Leah A. Chase, Mary Verheulen Kleyn, Natasha Schiller, Abby Goltz King, Guillermo Flores, Sasha Balcazar Engelsman, Christina Bowles, Sara Lang Smith, Anne E. Robinson, Jeffrey Rothstein

Faculty Publications

System xc exchanges extracellular cystine for intracellular glutamate across the plasma membrane of many cell types. One of the physiological roles of System xc is to provide cystine for synthesis of the antioxidant glutathione. Here we report that hydrogen peroxide (H2O2) triggers the translocation of System xc to the plasma membrane within 10 min of the initial exposure. Specifically, we observed a three-fold increase in 35S-L-cystine uptake following a 10 min exposure to 0.3 mM H2O2. This effect was dose-dependent with an EC50 for H2O2 ...


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