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Full-Text Articles in Physical Sciences and Mathematics

Growth, Lipid Production And Biodiesel Potential Of Chromulina Freiburgensis Dofl., An Acidophilic Chrysophyte Isolated From Berkeley Pit Lake, June E. Mohler Mitman Mar 2109

Growth, Lipid Production And Biodiesel Potential Of Chromulina Freiburgensis Dofl., An Acidophilic Chrysophyte Isolated From Berkeley Pit Lake, June E. Mohler Mitman

Graduate Theses & Non-Theses

Microalgae remain a promising, but underdeveloped source of lipids for sustainable biodiesel. Some of the obstacles to cost-effective commercial-scale production have been culture contamination and expensive harvest methods. A chrysophyte isolated from Berkeley Pit Lake and identified as Chromulina freiburgensis, was found to grow rapidly in a pH 2.5 liquid medium and to amass numerous intracellular lipid bodies. This research addresses the scarcity of published knowledge on the topic of chrysophyte species as potential lipid sources for biodiesel. It investigates how growth phase, culture conditions, and harvest timing influence the quantity and composition of lipids produced by this alga. …


Optimized Peptide Nanomaterials As Delivery Vehicles For Hydrophobic Metal-Based Anticancer Agents, Yaron Marciano Feb 2023

Optimized Peptide Nanomaterials As Delivery Vehicles For Hydrophobic Metal-Based Anticancer Agents, Yaron Marciano

Dissertations, Theses, and Capstone Projects

Enzyme-responsive materials have been well explored, particularly as therapeutic and diagnostic agents. In this thesis we demonstrate that anionic self-assembling peptides can be utilized as delivery vehicles for metal-based hydrophobic payloads. The tunability of the system is highlighted as well as the increase in cytotoxicity and selectivity in vitro. The rapid degradation of peptides in cell media may lead to the formation of new peptide-drug bioconjugates with increased activity and selectivity. The physiological stability of these peptide delivery vehicles has been optimized by capping the N-terminus with an acetyl group. This simple backbone modification was shown to not prevent self-assembly, …


Carbon Dioxide Capture Potential Of Chitosan-Nanocrystalline Cellulose Aerogel Composite Materials: Synthesis, Functionalization, And Characterization, Victor Oghenekohwo Jan 2023

Carbon Dioxide Capture Potential Of Chitosan-Nanocrystalline Cellulose Aerogel Composite Materials: Synthesis, Functionalization, And Characterization, Victor Oghenekohwo

Theses and Dissertations

The carbon dioxide capture technology has been established as an invaluable player in the current global efforts to allay the warming of the planet and climate change. In this connection, the study centers on the valorization of waste organic materials for the application described herein. The sorbents, sourced from a combination of by-products of food processing and agricultural residue waste products, viz. seafood waste and sugarcane bagasse, showed prospects for selective carbon dioxide capture, adsorbing up to 5.78 mg/g of the gas at 273 K and 2.82 mg/g at 298 K, as observed on the Micromeritic ASAP 2020 surface area …


Polyethersulfone Thin-Film Nanocomposite Membrane Embedded With Amine-Functionalized Graphene Oxide For Desalination Applications, Ahmed Bahaeldin Jan 2023

Polyethersulfone Thin-Film Nanocomposite Membrane Embedded With Amine-Functionalized Graphene Oxide For Desalination Applications, Ahmed Bahaeldin

Theses and Dissertations

Thin-film nanocomposite (TFN) desalination membranes were prepared based on a polyethersulfone (PES) support, where the polyamide (PA) layer was embedded with amine-functionalized graphene oxide (GO). The effect of adding various concentrations of functionalized and un-functionalized GO on the desalination performance, hydrophilicity, and morphology of the membranes was additionally assessed throughout this work. Scanning electron microscopy (SEM) measurements were used to assess the morphology of the membranes in combination with Brunauer-Emmett-Teller (BET) analysis. Contact angle measurements were used to gauge the hydrophilicity of the synthesized membranes. The membrane with the best desalination performance contained 1x10-3 wt/vol% of functionalized GO in …


Potential Of Biduri Fiber (Calotropis Gigantea) As Material For Oil Spill Absorbent, Anne Sukmawati, Wulan Septiani Jan 2023

Potential Of Biduri Fiber (Calotropis Gigantea) As Material For Oil Spill Absorbent, Anne Sukmawati, Wulan Septiani

Journal of Materials Exploration and Findings (JMEF)

Biduri fiber (Calotropis gigantea) is a natural hollow fiber with hydrophobic and oleophilic properties potentially used as oil spilled sorbent from seawater. This study aims to determine the absorption capacity and efficiency of the Biduri fiber and membrane to fuel oil. Measurement of oil absorption to seawater was carried out at various fiber weights (0.5-1.5 g), fiber composition (50-95%), contact time (10-90 minutes), temperature (30 and 50°C), and compared with commercial products. The results showed that the fiber weight variation of 0.5-1.5 g has an average absorption efficiency of 96.67%, and the highest absorption was obtained in a weight of …


Development Of Battery Materials To Function As Corrosion Protection On Car Body Plates, Tubagus Noor Rohmannudin, Sulistijono Sulistijono, Noval Adrinanda, Faridz Wira Dharma, Samuel Areliano Jan 2023

Development Of Battery Materials To Function As Corrosion Protection On Car Body Plates, Tubagus Noor Rohmannudin, Sulistijono Sulistijono, Noval Adrinanda, Faridz Wira Dharma, Samuel Areliano

Journal of Materials Exploration and Findings (JMEF)

Most car bodies made for mass production are made from steel or aluminum. Both are strong metals, but steel is cheaper than aluminum and is more commonly used in lower-end cars for a broader consumer range. The weakness of steel compared to aluminum is that it is susceptible to corrosion under certain conditions, and thus it may deteriorate over time without proper care. To prevent corrosion, modern cars are coated with paint to prevent direct contact with the environment. As a second line of protection, a car battery can be connected to the body to create an impressed current cathodic …


Influence Of Synthesis Conditions On The Physicochemical And Electrocatalytic Properties Of Non-Stoichiometric Ba2sr2la2ti4o12 Perovskites, Ofeliya Kostadinova, Iliyan Popov, Simeon M. Stankov, Hristo Kolev, Tamara Petkov Jan 2023

Influence Of Synthesis Conditions On The Physicochemical And Electrocatalytic Properties Of Non-Stoichiometric Ba2sr2la2ti4o12 Perovskites, Ofeliya Kostadinova, Iliyan Popov, Simeon M. Stankov, Hristo Kolev, Tamara Petkov

Karbala International Journal of Modern Science

Present work studies the influence of the pretreatment milling media (deionized water (BLTOS-H) and isopropanol (BLTOS-i)) on the surface characteristics, structure, chemical composition and catalytic activity of non-stoichiometric Ba2Sr2La2Ti4O12 perovskites. The IR spectroscopy and XRD analyses shows a difference in the structure and phase composition of the two materials. X-ray photoelectron spectroscopy detects a Ba2+- and La3+-enriched and Sr2+-depleted surface. The BLTOS-i sample appears to exhibit higher specific surface area (SSA) and pore volume in comparison to BLTOS-H. The electrochemical tests showed that BLTOS-H sample have similar behavior to platinum at current densi-ties up to 10 mA cm-2, while BLTOS-i …


Table Of Contents Jan 2023

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.


The Boozi Device’S Effect On Aroma Compounds In Distilled Spirits, Drew Budner, Lindsey Bell, Katherine Thompson-Witrick Jan 2023

The Boozi Device’S Effect On Aroma Compounds In Distilled Spirits, Drew Budner, Lindsey Bell, Katherine Thompson-Witrick

Journal of the South Carolina Academy of Science

The BooZi is a commercially available flavor-modifying device that claims to remove the negative flavor agents (congeners) from a number of different types of distilled spirits and wines. SPME was utilized for the extraction of the volatile and semi-volatile compounds within each sample. The analysis of the compounds found in the samples following exposure to the BooZi device were analyzed using a GC-MS. The most significant changes regarding the aroma profile of the distilled spirits were noticeable following 96 hours of exposure. The BooZi device was shown to be effective in reducing the concentration of a number of compounds, including …


Dual Ionic Liquid-Functionalized Cellulosic Materials: Thermal, Mechanical And Conductive Properties, Elizabeth Mcgrew, Kevin M. Miller Phd Jan 2023

Dual Ionic Liquid-Functionalized Cellulosic Materials: Thermal, Mechanical And Conductive Properties, Elizabeth Mcgrew, Kevin M. Miller Phd

Posters-at-the-Capitol

Cellulose, an inexpensive and renewable biomacromolecule, represents an intriguing synthetic foundation for new materials with task-specific properties. Here, we wish to report a synthetic route for functionalizing cellulose with a side chain containing two ionic liquid functional groups using azide-alkyne ‘click’ cyclization strategy, followed by quaternization of the two resulting heterocycles (1,2,3-triazole and imidazole). Through this functionalization strategy, the resulting cellulosic materials exhibited significant softening, with several glass transition (Tg) values observed below room temperature, indicating the amorphous nature of the materials, with the Tg dependent on both the length of the side chain and the …


Strategies For Identifying Important Residues In The Trna Modification Protein Trm732, Alex K. Mullins, Natalie N. Creech, Holly Funk, Michael Guy Jan 2023

Strategies For Identifying Important Residues In The Trna Modification Protein Trm732, Alex K. Mullins, Natalie N. Creech, Holly Funk, Michael Guy

Posters-at-the-Capitol

Post-transcriptional tRNA modifications are required for efficient protein translation. In yeast, the Trm7 methyltransferase forms a complex with Trm732 to modify tRNA at position 32. In humans, lack of the human homolog for Trm7, FTSJ1, causes intellectual disability. Little is known about the function of Trm732, although we have shown that one conserved motif in Trm732 is important for tRNA modification. We have identified other residues important for function using two strategies. First, we compared Trm732 proteins of different organisms using protein alignments to determine conserved regions to mutate for testing. We have generated four new Trm732 variants and have …


Green And Non-Green Extraction Of Eugenol From Cloves Using Steam Distillation, Bek Yuldashbaev Jan 2023

Green And Non-Green Extraction Of Eugenol From Cloves Using Steam Distillation, Bek Yuldashbaev

Science University Research Symposium (SURS)

Eugenol is commonly found in many plants such as cloves. It is one of the most used natural anesthetics in dentistry. Indonesia is one of the places indigenous to clove trees. Its people take advantage of the pain numbing properties in cloves to aid their tooth pain. The extraction of eugenol itself can be performed through steam distillation. With the process of distillation, the steam carries the oils extracted from the clove buds and recondenses into a cloudy distillate containing polar and non-polar molecules. To separate the eugenol from the distillate, green and non-green solvents were used. The green solvent …


Translating Chemistry, Structure, And Processing To The Solid-State Morphology And Function Of Organic Semiconductors Through Computational Modeling And Simulations, Chamikara D. Karunasena Jan 2023

Translating Chemistry, Structure, And Processing To The Solid-State Morphology And Function Of Organic Semiconductors Through Computational Modeling And Simulations, Chamikara D. Karunasena

Theses and Dissertations--Chemistry

The immense synthetic design space and material versatility have driven the exploration and development of organic semiconductors (OSC) over several decades. While many OSC designs focus on the chemistries of the molecular or polymer building blocks, a priori, multiscale control over the solid-state morphology is required for effective application of the active layer in a given technology. However, molecular assembly during solid-state formation is a complex function interconnecting the building block chemistry and the processing environment. Insufficient knowledge as to how these aspects engage, especially at the atomistic and molecular scales, has so far limited the ability to predict …


A Computational Study Of The Copper-Catalyzed Trifluoromethylation Of Boronic Acids, Kevin Nyhuis Jan 2023

A Computational Study Of The Copper-Catalyzed Trifluoromethylation Of Boronic Acids, Kevin Nyhuis

Theses, Dissertations and Culminating Projects

This work is a computational study of a reaction mechanism for the trifluoromethylation of boronic acids. Three steps of the proposed reaction mechanism are studied, •CF3 addition to a copper catalyst center, base promoted transmetalation between copper and aryl boronic acid, and bond forming reductive elimination in which the CF3 and aryl substituent form a bond. Limited information is known about this mechanism. This study uses computational methods to attempt to elucidate the mechanism and provide the groundwork for potential improvement. Quantum chemical methods in conjunction with tight-binding based conformational sampling methods are used to investigate the possible …


Coconut Shell Waste Treatment Technology For A Sustainable Waste Utilization: A Case Study Of The Smes In Bohol Village, Indonesia, Wahyu Anggo Rizal, Ria Suryani, Roni Maryana, Dwi Joko Prasetyo, Diah Pratiwi, Yuli Ary Ratnawati, Dini Ariani, Andri Suwanto Dec 2022

Coconut Shell Waste Treatment Technology For A Sustainable Waste Utilization: A Case Study Of The Smes In Bohol Village, Indonesia, Wahyu Anggo Rizal, Ria Suryani, Roni Maryana, Dwi Joko Prasetyo, Diah Pratiwi, Yuli Ary Ratnawati, Dini Ariani, Andri Suwanto

ASEAN Journal of Community Engagement

This project focused on the introduction of liquid smoke and bio briquette manufacturing technology to small and medium enterprises (SMEs) located in Bohol Village, Gunungkidul, Indonesia through technology transfer, training, and mentoring. These SMEs are engaged in the food business with the main product jenang ketan, a traditional food from Gunungkidul, especially in Rongkop District, and very popular among communities around and outside Gunungkidul. The traditional preparation of jenang ketan produces several by-products in the form of waste, which is dominated by coconut shell biomass. The project’s technology transfer was carried out through the procurement of a series of pyrolysis …


Palladium (Ii)-Catalyzed Selective Reduction Of 4’-(Phenylethynl)Acetophenone In The Presence Of A Formic Acid-Triethylamine Mixture, Suzanne Chayya, Akram Hijazi, Anis Daou, Ali Alaaeddine, Mohamad Sakr, Ghassan Younes, Mohammad El-Dakdouki Dec 2022

Palladium (Ii)-Catalyzed Selective Reduction Of 4’-(Phenylethynl)Acetophenone In The Presence Of A Formic Acid-Triethylamine Mixture, Suzanne Chayya, Akram Hijazi, Anis Daou, Ali Alaaeddine, Mohamad Sakr, Ghassan Younes, Mohammad El-Dakdouki

BAU Journal - Science and Technology

An efficient and straightforward palladium acetylacetonate-catalyzed hydrogen transfer of 4'- (phenylethynyl)acetophenone was developed in this study. Formic Acid was found to be the best hydrogen source in this catalytic system in the presence of triethylamine. Excellent conversions and selectivity were obtained in reducing the starting internal aromatic alkyne to either (E)-1-(4- styrylphenyl)ethanone or an interesting cyclic product, 1-(phenanthrene-3-yl)ethenone, over the ketone functional group present. Over-reduction was rarely seen. The reaction conditions were optimized in terms of the choice of the palladium catalyst, temperature, solvent, and the H-donor/base combination. Using this catalytic system, a one-step synthetic pathway of the …


Determination Of Total Ammonia Nitrogen By Gas-Diffusion Flow Injection Analysis (Gd-Fia)-Spectrophotometry Using Minnieroot Flower (Ruellia Tuberosa) As Natural Reagent, Lani Artana Putri, Puspita Mufidah Sari, Hermin Sulistyarti, Akhmad Sabarudin, Erwin Sulistyo Dec 2022

Determination Of Total Ammonia Nitrogen By Gas-Diffusion Flow Injection Analysis (Gd-Fia)-Spectrophotometry Using Minnieroot Flower (Ruellia Tuberosa) As Natural Reagent, Lani Artana Putri, Puspita Mufidah Sari, Hermin Sulistyarti, Akhmad Sabarudin, Erwin Sulistyo

Makara Journal of Science

Total ammonia nitrogen (TAN) is a pollutant agent found in water and generated from the metabolisms of living organisms and the decomposition of organic matter. This research aims to develop an efficient, low-cost, and environmentally friendly TAN analysis method. The principle of this method is based on the reaction of TAN injected in the donor stream with NaOH to form alkaline gaseous ammonia. The gaseous ammonia diffuses through a hydrophobic membrane into an acceptor stream containing Ruellia tuberosa extract. The presence of NH3 gas in the acceptor stream changes the extract color from pinkish to green, which is monitored …


Arginine Methylation Of The Pgc-1Α C‑Terminus Is Temperature- Dependent, Meryl Mendoz, Mariel Mendoza, Tiffany Lubrino, Sidney Briski, Immaculeta Osuji, Janielle Cuala, Brendan Ly, Ivan Ocegueda, Harvey Peralta, Benjamin A. Garcia, Cecilia Zurita-Lopez Dec 2022

Arginine Methylation Of The Pgc-1Α C‑Terminus Is Temperature- Dependent, Meryl Mendoz, Mariel Mendoza, Tiffany Lubrino, Sidney Briski, Immaculeta Osuji, Janielle Cuala, Brendan Ly, Ivan Ocegueda, Harvey Peralta, Benjamin A. Garcia, Cecilia Zurita-Lopez

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

We set out to determine whether the C-terminus (amino acids 481–798) of peroxisome proliferator-activated receptor gamma coactivator-1 alpha (PGC-1α, UniProt Q9UBK2), a regulatory metabolic protein involved in mitochondrial biogenesis, and respiration, is an arginine methyltransferase substrate. Arginine methylation by protein arginine methyltransferases (PRMTs) alters protein function and thus contributes to various cellular processes. In addition to confirming methylation of the C-terminus by PRMT1 as described in the literature, we have identified methylation by another member of the PRMT family, PRMT7. We performed in vitro methylation reactions using recombinant mammalian PRMT7 and PRMT1 at 37, 30, 21, 18, and 4 °C. …


Effect Of Temperature And Sodium Chloride Addition On The Conductivity Of Sodium (Polystyrene Sulfonate) Aqueous Solutions, Saida Asfour, Ahmed Ayyad, Fahed Takrori Dec 2022

Effect Of Temperature And Sodium Chloride Addition On The Conductivity Of Sodium (Polystyrene Sulfonate) Aqueous Solutions, Saida Asfour, Ahmed Ayyad, Fahed Takrori

Hebron University Research Journal-A (Natural Sciences) - (مجلة جامعة الخليل للبحوث- أ (العلوم الطبيعيه

The conductivity of sodium (polystyrene sulfonate) (NaPSS) aqueous solutions as a function of NaPSS concentration 0.15 g – 2.0 g NaPSS in 100 mL of distilled water, sodium chloride concentration (NaCl) in the range of 0.1 M - 0.4 M and in temperature range of 278 K – 328 K have been studied. The study found that conductivity increases with increasing NaPSS concentration both in pure water and in salt solution. It is also found that conductivity increases with increasing either NaCl concentration or temperature. The interesting finding here is that additivity rule, that the conductivity of the polyelectrolyte kps …


Acetylacetone Oxidation At Room Temperature: A Multiplexed Photoionization Mass Spectrometric Investigation, Study Of The Russell Intermediates In Gas Phase Reactions, And The Investigation Of Oxidation Reaction Products Of Ethanol At Room Temperature, Sara Gallarati Dec 2022

Acetylacetone Oxidation At Room Temperature: A Multiplexed Photoionization Mass Spectrometric Investigation, Study Of The Russell Intermediates In Gas Phase Reactions, And The Investigation Of Oxidation Reaction Products Of Ethanol At Room Temperature, Sara Gallarati

Master's Theses

This thesis presents the combustion study of acetyl acetone using synchrotron radiation coupled with multiplexed photoionization mass spectrometry at 298 K. The experiments were performed at the Chemical Dynamics Beamline 9.0.2 at the Advanced Light Source of the Lawrence Berkeley National Laboratory. The reaction of acetyl acetone with chlorine (Cl) radicals was analyzed based on their photoionization spectra and reaction kinetic profiles.

Additionally, a study of the Russell intermediate has been performed. Previous to experimentation at the Advanced Light Source, computational analysis has been investigated to evaluate compounds that could possibly lead to the formation of a stable species. The …


Chemical Elements, Flavor Chemicals, And Nicotine In Unused And Used Electronic Cigarettes Aged 5–10 Years And Effects Of Ph, Monique Williams, Wentai Luo, Kevin J. Mcwhirter, Omeka Ikegbu, Prue Talbot Dec 2022

Chemical Elements, Flavor Chemicals, And Nicotine In Unused And Used Electronic Cigarettes Aged 5–10 Years And Effects Of Ph, Monique Williams, Wentai Luo, Kevin J. Mcwhirter, Omeka Ikegbu, Prue Talbot

Chemistry Faculty Publications and Presentations

The concentrations of elements/metals, nicotine, flavor chemicals and acids were compared in the e-liquids of unused and used first-generation electronic cigarettes (ECs) that were stored for 5–10 years. Metal analysis was performed using inductively coupled plasma optical emission spectroscopy; nicotine and flavor chemical analyses were performed using gas chromatography/mass spectroscopy. Of the 22 elements analyzed, 10 (aluminum, chromium, copper, iron, lead, nickel, selenium, silicon, tin, zinc) were often found in the e-liquids. Five elements had the highest average concentrations: copper (1161.6 mg/L), zinc (295.8 mg/L), tin (287.6 mg/L), nickel (71.1 mg/L), and lead (50.3 mg/L). Nicotine concentrations were always lower …


Possible Overestimation Of Nitrogen Dioxide Outgassing During The Beirut 2020 Explosion, Ashraf Farahat, Nayla El-Kork, Ramesh P. Singh, Feng Jing Dec 2022

Possible Overestimation Of Nitrogen Dioxide Outgassing During The Beirut 2020 Explosion, Ashraf Farahat, Nayla El-Kork, Ramesh P. Singh, Feng Jing

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

On 4 August 2020, a strong explosion occurred near the Beirut seaport, Lebanon and killed more than 200 people and damaged numerous buildings in the vicinity. As Amonium Nitrate (AN) caused the explosion, many studies claimed the release of large amounts of NO2 in the atmosphere may have resulted in a health hazard in Beirut and the vicinity. In order to reasonably evaluate the significance of NO2 amounts released in the atmosphere, it is important to investigate the spatio-temporal distribution of NO2 during and after the blast and compare it to the average day-to-day background emissions from …


Toward Enhancing The Synthesis Of Renewable Polymers: Feedstock Conversions And Functionalizable Copolymers, Tedd Casey Wiessner Dec 2022

Toward Enhancing The Synthesis Of Renewable Polymers: Feedstock Conversions And Functionalizable Copolymers, Tedd Casey Wiessner

Arts & Sciences Electronic Theses and Dissertations

This thesis describes research under the rubric of the Center for Sustainable Polymers that is aimed at two separate goals. The goal of the first project (Chapters 1 and 2) was to develop a deeper mechanistic understanding of a method for the synthesis of linear α-olefins, while the second aimed at synthesizing statistical copolymers that incorporate olefin-containing monomers through ring-opening transesterification polymerization and showing that these copolymers could be functionalized. In Chapter 1, published methods for the conversion of fatty acids to linear α-olefins are reviewed to provide context for the mechanistic work we accomplished (Chapter 2). In Chapter 2 …


An Imaging Mass Spectrometry Investigation Into The N-Linked Glycosylation Landscape Of Pancreatic Ductal Adenocarcinoma And The Development Of Associated Tools For Enhanced Glycan Separation And Characterization, Colin Mcdowell Dec 2022

An Imaging Mass Spectrometry Investigation Into The N-Linked Glycosylation Landscape Of Pancreatic Ductal Adenocarcinoma And The Development Of Associated Tools For Enhanced Glycan Separation And Characterization, Colin Mcdowell

MUSC Theses and Dissertations

The severity of pancreatic ductal adenocarcinoma (PDAC) is largely attributed to a failure to detect the disease before metastatic spread has occurred. CA19-9, a carbohydrate biomarker, is used clinically to surveille disease progression, but due to specificity challenges is not suitable for early discovery. As CA19-9 and other prospective markers are glycan epitopes, there is great clinical interest in understanding the glycobiology of pancreatic cancer. Unfortunately, few studies have been able to link glycosylation changes directly to pancreatic tumors and instead have focused on peripheral glycan alterations in the serum of PDAC patients. To address this gap in our understanding, …


Hydrogen Bonding In Small Model Peptides; The Dft And Mp2 Study, Gracie Smith, Martina Kaledin Dec 2022

Hydrogen Bonding In Small Model Peptides; The Dft And Mp2 Study, Gracie Smith, Martina Kaledin

Symposium of Student Scholars

Formamide is a small model compound for the study of the peptide bond. The peptide bond links amino acids together, specifies rigidity to the protein backbone, and includes the essential docking sites for hydrogen-bond-mediated protein folding and protein aggregation, namely, the C=O acceptor and the N-H donor parts. Therefore, the infrared C=O (amide-I) and N-H (amide-A) vibrations provide sensitive and widely used probes into the structure of peptides. This computational chemistry work, we study hydrogen bonds in formamide dimer isomers. We evaluate the accuracy of the density functional theory (DFT) and many-body perturbation theory to the 2nd order (MP2) …


Investigating The Electrochemical Behavior Of Dihydropyrrolopyroles For Use As Anodically Coloring Electrochromes, Perry Skiouris, Ally Kisiel, Valentino Sorto, Julia Mauro, Graham Collier Dec 2022

Investigating The Electrochemical Behavior Of Dihydropyrrolopyroles For Use As Anodically Coloring Electrochromes, Perry Skiouris, Ally Kisiel, Valentino Sorto, Julia Mauro, Graham Collier

Symposium of Student Scholars

Electrochromic materials have found widespread use in consumer electronics, energy saving windows, and military applications. They contain unique electronic properties allowing them to undergo a color change in a redox reaction. One classification of these molecules is known as anodically coloring electrochromes (ACEs). When in solution, these compounds are transmissive in the neutral (ground) state and absorb visible light upon oxidation, by the formation of a radical cation, thus making them colored. The focus of this study is the electronic transitions of this radical cation and how chemical modifications to the structures produce a variable color profile. To design prospective …


Designing And Synthesizing A Warhead-Fragment Inhibitory Ligand For Ivyp1 Through Fragment-Based Drug Discovery, Samuel Moore Dec 2022

Designing And Synthesizing A Warhead-Fragment Inhibitory Ligand For Ivyp1 Through Fragment-Based Drug Discovery, Samuel Moore

Symposium of Student Scholars

Fragment-based drug discovery (FBDD) is a powerful tool for developing anticancer and antimicrobial agents. Within this, magnetic resonance spectroscopy (NMR) provides a comprehensive qualitative and quantitative approach to screening and validating weak and robust binders with targeted proteins, making NMR among the most attractive strategies in FBDD. Inhibitor of vertebrate lysozyme (Ivyp1) of P. aeruginosa serves as an excellent target because of its active cellular location and implications in clinical prognosis for cystic fibrosis and immunocompromised patients. This study uses current NMR and biophysical techniques to develop a covalent, fragment-linked warhead inhibitor for Ivyp1 through synthetic methods, warhead linking, and …


Wrack Lines Volume 22, Number 2, Fall-Winter 2022-2023, Nancy C. Balcom, Juliana Barrett, Judy Benson, Ben Crnic, Sto Len Dec 2022

Wrack Lines Volume 22, Number 2, Fall-Winter 2022-2023, Nancy C. Balcom, Juliana Barrett, Judy Benson, Ben Crnic, Sto Len

Wrack Lines

With the theme, "Looking Ahead: People and Projects Shaping the Future," the Fall-Winter 2022-2023 leads with the first in what will be a series of articles about offshore wind development impacting Connecticut. That is followed by the inspiring story of how a dying forest was replanted for climate resilience. Next, a profile of longtime marine educator Tim Visel tells about his lasting impact on Connecticut schools and students. Lastly, the complex challenge of dealing with Contaminants of Emerging Concern is examined, with descriptions of how Sea Grant is involved and the particularly troublesome group of substances called PFAS.


A Human Oral Fluid Assay For D- And L- Isomer Detection Of Amphetamine And Methamphetamine Using Liquid-Liquid Extraction, Brian Robbins, Rob E. Carpenter, Mary Long, Jacob Perry Dec 2022

A Human Oral Fluid Assay For D- And L- Isomer Detection Of Amphetamine And Methamphetamine Using Liquid-Liquid Extraction, Brian Robbins, Rob E. Carpenter, Mary Long, Jacob Perry

Human Resource Development Faculty Publications and Presentations

Medical providers are increasingly confronted with clinical decision-making that involves (meth)amphetamines. And clinical laboratories need a sensitive, efficient assay for routine assessment of D- and L-isomers to determine the probable source of these potentially illicit analytes. This paper presents a validated method of D- and L-isomer detection in human oral fluid from an extract used for determination of a large oral fluid assay (63 analytes) on an older AB SCIEX 4000 instrument. Taken from the positive extract, D- and L-analytes were added. The method for extraction included addition of internal standard and a 2-step …


Folic Acid – Carbon Dots – Doxorubicin Nanoparticles As Cancer Theranostic, Michael Tetteh Dec 2022

Folic Acid – Carbon Dots – Doxorubicin Nanoparticles As Cancer Theranostic, Michael Tetteh

Electronic Theses and Dissertations

This work focused on engineering bi-functionalized nanoparticles (NPs) based on carbon dots (CDs) to improve early cancer detection and treatment. Therefore, using folic acid (FA) as a targeting agent, the CDs were prepared to deliver high concentrations (HC) of doxorubicin (DOX) and gemcitabine (GEM) covalently and non-covalently to cancer cells. The prepared FA-CDs-DOX/GEM-HC NPs were characterized using ultraviolet-visible spectroscopy, fluorescence spectroscopy, and Fourier transform infrared spectroscopy. Assessment of the drug loading capacity (DLC) and drug loading efficiency (DLE) indicated that the non-covalent NPs have low DLC but high DLE compared to the relatively low DLE and high DLC of covalent …