Chemistry Commons^™

Building Smart Textile Sensors From Bottom-Up: Chemically Precise Self Assembled Materials On Textiles As A Modular Platform For Electroanalysis, Lori-Ann Williams

Dartmouth College Master’s Theses

In this present work, we explore the metallization of textiles and sutures for the development of a wearable portable modular platform technology for non-invasive wound healing monitoring. Currently technology for the metallization of nonconductive materials have been mainly on a 2D surfaces which restricts the bulk metallization of textile surfaces which require specialized equipment and operators which are costly, energy ineffective, and prevents miniaturization. Metallization of nonconductive fabrics are achieved through a conventional electroless deposition of copper nanoparticle species on 3D surfaces to create electrodes. These conductive textiles and sutures were characterized by pXRD, ATR-IR, SEM-EDS, and XPS and were …

Self-Quenching Of Carbon Monoxide In The Presence Of Noble Gases, Madeline V. Hinkle

Honors Theses

Precise rate coefficients for the vibrational relaxation pathways of CO(v)-CO in the presence of Ar and Kr have been determined through the work of this thesis. This work was motivated by the need to find a more cost-effective alternative to using xenon as a bath gas, which has increased significantly in price in the past few years. Similar experiments within this lab at Bucknell have been conducted in the past using argon, which can be used in the same manner as xenon but comes at a much lower price, but the experiments yielded inferior results compared to those using xenon. …

Computational Study Of Proton Transfer At Transition Metal Hydrides, Megan Ford

Honors Theses

Energy storage in the bonds of common chemical feedstocks is an attractive solution to the unreliability of wind and solar power due to its long term efficiency and easy recoverability. Energy is stored by reducing chemicals like ammonia, formic acid, and hydrogen, the reaction of which is dependent on a catalyst. To catalyze the reaction, the catalyst undergoes a slow proton transfer (PT) step to form what is known as a metal hydride. The sluggish kinetics of this step lower the effectiveness of the catalyst, and therefore must be better understood in order to improve the efficiency of energy storage …

A Simple, Inexpensive Alkaline Method For Bacterial Dna Extraction From Environmental Samples For Pcr Surveillance And Microbiome Analyses, Abdulkarim Shwani, Bin Zuo, Adnan Alrubaye, Jiangchao Zhao, Douglas D. Rhoads

Poultry Science Faculty Publications and Presentations

DNA extraction for downstream molecular diagnostic applications can be an expensive, time-consuming process. We devised a method to quickly extract total bacterial DNA from environmental samples based on the sodium hydroxide lysis of cells with or without capture by magnetic beads for subsequent PCR or quantitative PCR. The final DNA extraction method using NaOH is extremely low-cost and can be completed in as little as 10 min at room temperature with dilution, or the DNA can be further purified using silica-coated paramagnetic beads. NaOH extraction was effective for Gram-negative and Gram-positive bacteria in samples from air, soil, sewage, food, laboratory …

Wildfire Effects On The Fate Of Deposited Nitrogen In A Boreal Larch Forest, Weili Liu, Jiaxing Zu, B. Liu, Lin Qi, Wei Huang, Yunting Fang, Jian Yang

Earth and Environmental Sciences Faculty Publications

The effects of nitrogen (N) deposition on forests largely depend on the ecosystem N status and the fates of deposited N. Boreal forests are typically N-limited ecosystems and are considered to be more efficient in retaining deposited N relative to temper- ate and tropical forests. As a primary disturbance in boreal forests, wildfires may alleviate N limitation in the burned ecosystem and increase mineralization, resulting in the altered outcomes of the N deposition.

Illuminating Function And Enabling Inhibition At The Protein-Membrane Interface Of Glutathione Peroxidase 4., Courtney L. Labrecque

Theses and Dissertations

Membrane proteins act as gateways to cells and are responsible not only for signaling, lipid transport, and cellular homeostasis, but they are also integral in disease pathologies. One class of membrane proteins, peripheral membrane proteins (PMPs), reside in aqueous compartments of the cell until they are recruited to the membrane to perform their function. Glutathione peroxidase 4 (GPx4) is a PMP enzyme responsible for engaging the membrane and reducing lipid hydroperoxides, thereby preventing cellular death via ferroptosis. Due to its central function surrounding ferroptosis, GPx4 is an interesting drug target that has recently gained interest for inflammatory diseases as well …

An Investigation Of The Correlation Between Polymer Solution Entanglement And Electrospun Polycaprolactone Fiber Mechanics, Manasa Sujatha Rajeev

Honors Theses

The aim of this study was to determine the role of entanglement in the mechanical properties of electrospun polycaprolactone (PCL) fibers. PCL is a useful polyester due to its favorable properties such as its biocompatibility and biodegradability. Multiple concentrations of PCL were dissolved in a 3:1 acetic to formic acid solvent. Fibers were formed using an electrospinning technique. Entanglement is a required parameter to produce fibers, thus the number of entanglements per polymer (ne) was calculated, as well as the corresponding concentrations. Smooth continuous fibers were found to form between 13 w/v% and 17 w/v%. Mechanical analysis, such as three-point …

The Surface Chemistry And Binding Interactions Of Lignin With Polymer-Encapsulated Gold Nanoparticles Acting As Model Microplastics, Oluwaseun Ayodeji Akinsola

All Master's Theses

This study investigates the surface chemistry and molecular-level interactions between lignin, a special type of natural organic matter, and polymer-capped gold nanoparticles, shedding light on the strength of adsorption between lignin and nanoscale polymer surfaces. Specifically, the study presents a variety of nanoscale polymer surfaces displaying different charged functional groups, using layer-by-layer assembly of three polyelectrolytes (polyallylamine hydrochloride (PAH)), polyacrylic acid (PAA), and poly(diallyldimethylammonium chloride (PDADMAC)) on 90 nm citrate-stabilized gold nanoparticles (AuNPs). This approach provides a library of polymer-encapsulated AuNPs for investigating the binding interactions of lignin to nanoscale polymers via spectroscopic techniques. ζ-potential, dynamic light scattering (DLS), …

Roles Of Reactants And Catalysts For Suzuki C-C Cross-Coupling Reaction Using Molecular Volcano Plots And Big-Data Analysis, Kwanchanok Kaewkwan

Chulalongkorn University Theses and Dissertations (Chula ETD)

The Suzuki carbon–carbon cross-coupling reaction is a well-known method for forming carbon–carbon bonds, catalyzed by transition metal complexes. Molecular volcano plots have been used to predict promising catalysts. While previous studies focused mainly on thermodynamic insight, with limited focus on kinetics, this work examines the influence of catalysts and reactants on catalytic activity by incorporating kinetic energy profiles. DFT calculations were performed to evaluate free energies of catalytic states, establish linear scaling relationships, and construct volcano plots. This study employed nickel and palladium complexes with five different ligands as catalysts, reacting with twenty-five substrates. Results show that catalysts have a …

Development Of Biosensors For Detection Of Human Papillomavirus Type 16 Dna, Panon Tungkunaruk

Chulalongkorn University Theses and Dissertations (Chula ETD)

This dissertation aims to develop two unconventional methods for the detection of a high-risk, cancer-causing human papillomavirus type 16 (HPV16) on miniaturized platforms for point-of-care testing (POCT). The first part focuses on a direct detection of HPV16 double-stranded DNA (dsDNA) using the non-self-pairing pyrrolidinyl peptide nucleic acid (acpcPNA) pair on a paper-based substrate coupled with fluorescence and electrochemical dual detections using a DNA-binding dye in a single device. The acpcPNA pair can perform double duplex invasion into dsDNA by hybridizing with each strand of DNA in the same region without the requirement of denaturing dsDNA to single-stranded DNA (ssDNA) before …

Development Of Electrochemical Sensor Based On Molecularly Imprinted Polymer For Determination Of Roxarsone, Pitranan Kunthanasap

Chulalongkorn University Theses and Dissertations (Chula ETD)

Roxarsone (ROX), a growth enhancer in poultry and swine, has the potential to improve weight gain and prevent coccidiosis. Excessive use of ROX may lead to its accumulation in animal tissues, potentially contaminating food products and posing health risks to humans through consumption. This research aims to develop an electrochemical sensor based on a magnetic screen-printed graphene electrode (mSPGE) modified with a highly selective molecularly imprinted polymer (MIP) for the determination of ROX with enhanced sensitivity and selectivity. Typically, an applied magnetic field at the mSPGE could accelerate mass transport at the electrode surface through the magnetohydrodynamic (MHD) effect, leading …

Flow Accelerated Corrosion In Economizer Tubes Of A Heat Recovery Steam Generator Using Computational Fluid Dynamics, Phuris Khunphakdee

Chulalongkorn University Theses and Dissertations (Chula ETD)

This study investigates the effects of operating and harp design parameters on flow accelerated corrosion (FAC) using CFD, based on a real case from a modern heat recovery steam generator (HRSG) where severe FAC occurred in an economizer harp after six years of service. Preliminary investigation found that contributions for this case include the construction material, which is carbon steel, the operating temperature range that close to FAC favourable temperature (150 °C), reduced water and disturbed flow geometry. Comparison of shear stress and wall thickness profiles confirmed that FAC is mass transfer dominated, driven by flow acceleration and recirculation near …

Aza-Piancatelli And Friedel-Crafts Reactions Under Microdroplet Conditions, Phanomsak Yukhet

Chulalongkorn University Theses and Dissertations (Chula ETD)

The development of sustainable, catalyst-free synthetic methodologies represents a significant advance in modern organic chemistry, which offers environmentally benign alternatives to conventional protocols that often rely on metal catalysts or harsh reagents. This dissertation presents two complementary studies to explore and establish novel catalyst-free synthetic strategies in both microdroplet and bulk solution phases and highlight their potential applications, mechanistic features, and practical limitations. The first part of this work investigates the rearrangement of furfural with secondary amines to yield 4,5-diaminosubstituted cyclopentenones (4,5-DCPs) within the unique reaction environment of electrospray-generated charged microdroplets. The reaction is proposed to proceed via a Stenhouse …

Hydrogen Molecule Adsorption On Heptazine Carbon Nitride Nanosheet Decorated Rh, Ir, Pd, And Pt Elements For Hydrogen Storage Application, Piyawat Amornthatri

Chulalongkorn University Theses and Dissertations (Chula ETD)

In this work, the hydrogen storage and sensing potential of pristine and metaldecorated heptazine carbon nitride nanosheets (hg-C3N4-NS) was investigated using density functional theory (DFT) calculations. Decoration with platinum-group metals-Rh, Ir, Pd, and Pt-was examined in two stable configurations: an off-center coordination site (Group 1) and a pore-center site (Group 2). Hydrogen adsorption was studied stepwise from one up to three H2 molecules per system to simulate the natural accumulation process. The results revealed that pristine hg-C3N4-NS exhibits only weak physisorption, whereas metal decoration markedly enhances adsorption strength. Among all systems, Ir-hg-C3N4-NS1 and Rh-hg-C3N4-NS1 showed the most exothermic adsorption energies …

The Effect Of Solvent Identity And Hydride-Donor On The Reduction Of Co2 Into Useful Fuels, Abigail Mcentire

Honors Theses

One possible strategy for decreasing CO2 emissions is through electrocatalytic reduction reactions to convert the CO2 back into combustible fuels , such as methane or methanol. However, it can be challenging to control the reaction to select one of these useful fuels as opposed to carbon monoxide or formate. Our strategy is to investigate a specific hydride donor and solvent combinations for which the reaction favors conversion to methanol. It was found that in acetonitrile , several hydride donors were capable of selective reduction of CO2 to the methanol oxidation state.

Exploration Of Sulfonamides And Benzothiazoles As Peptide-Based Cleavable Linkers, Abigail Dalton

Honors Theses

Cleavable linkers have demonstrated great potential in various applications of medicinal organic chemistry, such as in modern therapeutic development. Linkers are stable compounds that cleave in specific conditions to release molecular cargo. We have developed cleavable linkers based on nucleophilic aromatic substitution reactions on sulfonamide and benzothiazole substrates in small molecule and in peptide studies. Sulfonamides, commonly with an electron-withdrawing group, reacted in high conversion of starting material to the sulfide product in small molecule studies, but was unable to successfully cleave the sulfonamide linker on peptide in mild conditions. Next, a benzothiazole sulfone substrate was analyzed and optimized in …

Chemical Synthesis And Biological Application Of Sensitive Rna, Alexander T. Apostle

Dissertations, Master's Theses and Master's Reports

In the field of epigenetics - the dynamic collection of chemical modifications that overlay DNA/RNA - there is increasing interest in the potential for therapeutic and research-based utilization of the epitranscriptomics: those epigenetic modifications specific to RNA. Epitranscriptomics can give us a new approach to understanding and treating RNA viruses, like SARS-CoV-2. Given viruses are often found modified by human epitranscriptomic machinery, understanding how these modifications can modulate virulence is of high interest. We have shown that the N1-methyladensoine modification causes RNA synthesis termination in the SARS-CoV-2 replication complex, and thus may explain the differences in symptoms observed in individuals. …

Whole Genome Crispr-Cas9 Screens Identify Genes Contributing To Viral Entry And Phagocytosis, Md Saddam Hossain

Electronic Theses and Dissertations

CRISPR/Cas9 is a revolutionary technique for genome editing where Cas9 nucleases can be targeted to specific genomic sites by single-guide RNAs (sgRNAs) containing roughly 20-nucleotide sequences that are complementary to the target region. Double strand breaks created by Cas9 are repaired through non-homologous end-joining (NHEJ) in most cells, resulting in insertions and deletions leading to frame shift mutations in coding regions. Thus, the CRISPR-Cas9 system can be exploited for systematic evaluation of gene function relationships by whole genome screening. We also developed a CRISPR whole‐genome screen and counter‐screen strategy based on a pseudoviral platform that allowed identification of genes specific …

Analysis Of Toxic Chemical Agents And Therapeutics For Toxic Inhaled Agents’ Exposure, Khadija Bilkis

Electronic Theses and Dissertations

When inhaled, toxic inhalation agents (TIAs) such as cyanide (CN), ammonia and sulfur compounds (e.g. methanethiol (MeSH)) can be fatal. Many TIAs cause cellular hypoxia, cytotoxic anoxia, apnea, respiratory failure, neurodegenerative disorder, circulatory collapse, seizures, and potential death by blocking mitochondrial cytochrome c oxidase. All TIA’s have the potential to be employed as chemical warfare agents, terrorist weapons, or dangerous occupational gases. Although many TIAs are potential threats, there are minimal FDA-approved treatments for these substances useful in a mass-casualty situation. Recently, cobinamide (Cbi) has come to light as a potential antidote for MeSH poisoning. However, methods for analyzing MeSH …

Enhancement Of Antitumor Effects Of Berberine Chloride With A Copper(Ii) Complex Against Human Triple Negative Breast Cancer: In Vitro Studies, Duaa R. Alajroush, Brittney F. Anderson, Janae A. Bruce, Christian I. Lartey, Dazonte A. Mathurin, Sean T. Washington, Tanaya S. Washington, Sidy Diawara, Sakariyau A. Waheed, Kaylin L. Thomas, Stephen J. Beebe, Alvin A. Holder

Chemistry & Biochemistry Faculty Publications

In this study, the copper(II) complex [Cu(chromoneTSC)Cl₂]•0.5H₂O•0.0625C₂H₅OH (where chromoneTSC = (E)-N-Ethyl-2-((4-oxo-4H-chromen-3-yl)methylene)-hydrazinecarbothioamide) was synthesized and characterized; then used to carry out in vitro studies in combination with berberine chloride (BBC). The ligand and complex were characterized by elemental analysis, FTIR and NMR (¹H and ¹³C) spectroscopy, and conductivity measurements. The cytotoxic effect was analyzed by using the CCK-8 viability assay in cancer MDA-MB-231 VIM RFP and non-cancer MCF-10A cell lines. The IC₅₀ values for the complex and BBC were 21.2 ± 1.6 and 48.3 ± 2.4 μM, respectively at 24 h incubation, while the IC₅₀ value of the combination treatment …

Advanced General Chemistry, Alexandra E. Strom

Open Educational Resources: Textbooks

Textbook adapted for CHM 118 at Smith College:

This course is for students with a very strong background in chemistry. The elementary theories of stoichiometry, atomic structure, bonding, structure, energetics and reactions are quickly reviewed. The major portions of the course involve a detailed analysis of atomic theory and bonding from an orbital concept, an examination of the concepts behind thermodynamic arguments in chemical systems, and an investigation of chemical reactions and kinetics. The laboratory deals with synthesis, physical properties and kinetics.

Spiral Wave Teleportation And Multiplex Network Synchronization In Light Sensitive Belousov-Zhabotinsky Systems, Shannyn Alicia Tyler

Graduate Theses, Dissertations, and Problem Reports (ETD)

We experimentally and computationally investigate dynamical behaviors in excitable and oscillatory media using light sensitive Belousov-Zhabotinsky (BZ) systems. These systems are not in a state of thermodynamic equilibrium, and have been proven to show various interesting phenomena including spatiotemporal patterns, self-organization, and chaos. We utilize the BZ reaction, a nonlinear chemical reaction, known for its relaxation-type oscillations, to explore the dynamics of these systems.

We examine spiral wave teleportation in an excitable media as an effective alternate defibrillation method. Spiral waves have emerged as a key phenomenon associated with the initiation and persistence of cardiac arrhythmias. Using a light sensitive …

Processing, Stability, And High-Temperature Properties Of Doped Lacro3-Based Refractory Ceramics And Composites For Harsh Environments Sensing Applications, Javier A. Mena

Graduate Theses, Dissertations, and Problem Reports (ETD)

In order to test and monitor the operational stability and conditions of various energy, transportation, and manufacturing systems and their components, accurate sensors capable of operating at temperatures over 1000 °C in various environments for long durations are required. In addition, many of these harsh environmental systems do not permit sensors to be directly inserted into the environment, so the sensors need to be embedded into the surrounding support or thermal protective materials. Some technological and industrial applications that require the use of harsh environment conditions sensing include nuclear and chemical reactors, jet engines, heavyduty gas turbines, rotating bearings in …

A Portable, Digital Nucleic Acid Amplification Test For Use At The Point Of Care, Bethany J. Fike

Graduate Theses, Dissertations, and Problem Reports (ETD)

Nucleic acid tests are key tools for the detection and diagnosis of many diseases. In many cases, the amplification of nucleic acids is required to reach a detectable level. Although nucleic acid tests have great success, there is a need to make nucleic acid amplification tests more accessible to a point-of-care (POC) setting for diagnosis, prognosis, and monitoring of infectious diseases. Traditionally, these tests are performed through bulk Polymerase Chain Reaction (PCR) and are monitored in real time with a change in fluorescence intensity. With these bulk testing methods, only a qualitative or semi-quantitative result is possible. For more exact …

Scattering Of Larger Molecules – Part 1: General Discussion, Dmitri Babikov

Chemistry Faculty Research and Publications

No abstract provided.

A Facile Auto-Combustion Pathway For Creating Mn- And Fe-Doped Tio2 Nanostructures And Their Photocatalytic Activity, Gharieb Meselhy

Dentistry

Using a combination of two fuels, an auto-combustion method was used to synthesize pure TiO2 and doped TiO2 with different concentrations of iron(III) (Fe) and manganese(II) (Mn) (1, 3, 5, and 7 mol%). The as-prepared materials were characterized using different techniques, including thermogravimetric analysis (TGA), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FE-SEM), and high-resolution transmission electron microscopy (HR-TEM). The XRD results showed that both pure TiO2 and all doped TiO2 samples had the anatase phase, indicating the crystalline nature of all the as-prepared nanomaterials. Crystal violet decolorization under UV irradiation was used to …

A New Approach For Discriminating Spatially Acquired Sers Spectra Using Antiretroviral Drug Emtricitabine As A Test Sample, Jana Hrncirova, Marguerite R. Butler, Meredith R. Clark, Gustavo F. Doncel, John B. Cooper

Chemistry & Biochemistry Faculty Publications

In this study, an antiretroviral drug emtricitabine (also known as FTC or Emtriva) was detected and quantified down to 40 ng/ml by using surface-enhanced Raman spectroscopy (SERS). Its aqueous standards were tested with two types of silver nanoparticles (colloidal and dendritic) using a specially developed aluminum well plate. The SERS spectra were acquired using a Raman scanning device with 30-mu m spatial resolution. The spectral data were analyzed using a new approach for the discrimination of the spatially acquired spectra based on the Quality index (Qi). After the Qi is calculated, the spectral data are sorted based on the Qi. …

Type-B Energetic Processes: Introduction And Invitation To Special Issue Of Energies, James Weifu Lee, Daniel P. Sheehan

Chemistry & Biochemistry Faculty Publications

[First paragraph] Currently, there is substantial scientific evidence for the existence of Type-B energetic processes on Earth, such as the naturally occurring transmembrane-electrostatically localized protons (TELP) thermotrophic properties in life [1]. A number of groundbreaking human-made Type-B energetic processes, including (but not limited to) “asymmetric function-gated isothermal electricity production” [2], “epicatalysis generating a temperature difference between catalysis-asymmetric filaments” [3], “artificially made asymmetric membrane concentration cell” [4,5], “Fu’s experiment on heat–electric conversion using surface electron emission under a static magnetic field” [6], and the “dynamic processes in superconductors indicating Type-B energetic process” [7,8,9] have been invented and/or experimentally demonstrated. The innovative …

Trends In Atmospheric Composition Between 2004-2023 Using Version 5 Ace-Fts Data, Matthew Schmidt, Peter Bernath, Chris Boone, Michael Lecours, Johnathan Steffen

Chemistry & Biochemistry Faculty Publications

The Atmospheric Chemistry Experiment (ACE) is a satellite mission that has been in orbit since 2003. The primary instrument on ACE is a Fourier transform spectrometer (FTS) that records infrared atmospheric transmittance spectra in the limb geometry using the Sun as a light source. Version 5 of ACE-FTS data processing contains improved volume mixing ratio (VMR) profiles for 46 molecules and 24 isotopologues, including HFC-32 (CH₂F₂) and HOCl as new routine data products. VMR trends for each of the 46 molecules are reported for regions of atmospheric interest. Specifically, the longevity of the ACE mission has …

Stabilization Of Pfas-Contaminated Soil With Sewage Sludge- And Wood-Based Biochar Sorbents, Erlend Sørmo, Clara Benedikte Mader Lade, Julie Zhang, Alexandros G. Asimakopoulos, Geir Wold Åsli, Michel Hubert, Aleksandar I. Goranov, Hans Peter H. Arp, Gerard Cornelissen

Chemistry & Biochemistry Faculty Publications

Sustainable and effective remediation technologies for the treatment of soil contaminated with per- and polyfluoroalkyl substances (PFAS) are greatly needed. This study investigated the effects of waste-based biochars on the leaching of PFAS from a sandy soil with a low total organic carbon content (TOC) of 0.57 ± 0.04% impacted by PFAS from aqueous film forming foam (AFFF) dispersed at a former fire-fighting facility. Six different biochars (pyrolyzed at 700–900°C) were tested, made from clean wood chips (CWC), waste timber (WT), activated waste timber (aWT), two digested sewage sludges (DSS-1 and DSS-2) and de-watered raw sewage sludge (DWSS). Up-flow column …