Chemistry Commons^™

Tie Dye Activity Plans, Admin Stem For Success

STEM for Success Showcase

OVERVIEW:

The STEM for success ambassador program will provide high school students the opportunity to participate in STEM activities that challenge them to learn topics covered in most high school chemistry and physics courses in an environment that cultivates leadership, STEM advocacy, and the 21st century skills of creativity and collaboration. High school students will learn tie-dye science and the chemistry and physics of slime and use their learning experiences to create hands-on activities for Pre-K through 8th grade students. High school students will form teams and venture out into their communities to explore the activities they have created in …

Eps 202-102: Society Techn & Environmnt, Sweeta Chauhan

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Electrolyte Synthesis And Engineering For Alkali Metal Batteries, Yiwen Zhang

Dartmouth College Ph.D Dissertations

Batteries have been in increasing demand over the last decade for portable electronic devices, electric vehicles, and grid-scale energy storage systems. While the electrode materials define the characteristic features of a battery system, the composition of the electrolyte is of critical importance and needs to be engineered for different battery systems to ensure superior electrochemical performance. In this thesis, the basic functionality and fundamental mechanism of the electrolytes in battery systems are first introduced. Then, three major electrolyte engineering strategies are demonstrated, including electrolyte composition formulation, electrolyte-electrode component modification, and function-oriented electrolyte design. Firstly, the low-temperature capacity restraint of lithium …

Machine Learning For Electronic And Atomistic Simulations, Jun Yang

Dartmouth College Ph.D Dissertations

The demand for accurate and efficient atomistic simulations and electronic structure calculations in materials science and quantum chemistry has motivated the development of novel computational methodologies. The rapid evolution of machine learning has brought new techniques for advancing the accuracy, efficiency, and predictive power of atomistic simulations and electronic structure calculations.

In this thesis, we explore the symmetry requirements and physics intuitions needed for developing machine-learning interatomic potentials, which are the most critical component in atomistic simulations. Specifically, we introduce a novel physics-inspired graph neural network interatomic potential that enables accurate and efficient atomistic simulations of complex materials. The machine …

Arginine-178 Is An Essential Residue For Itpa Function, Nicholas E. Burgis, Caitlin April, Kandise Vanwormer

Chemistry and Biochemistry Faculty Publications

The inosine triphosphate pyrophosphatase (ITPA) enzyme plays a critical cellular role by removing noncanonical nucleoside triphosphates from nucleotide pools. One of the first pathological ITPA mutants identified is R178C (rs746930990), which causes a fatal infantile encephalopathy, termed developmental and epileptic encephalopathy 35 (DEE 35). The accumulation of noncanonical nucleotides such as inosine triphosphate (ITP), is suspected to affect RNA and/or interfere with normal nucleotide function, leading to development of DEE 35. Molecular dynamics simulations have shown that the very rare R178C mutation does not significantly perturb the overall structure of the protein, but results in a high level of structural …

การขจัดสีย้อมอินทรีย์ด้วยการดูดซับบนเมโซพอรัสซิลิกาโหลดด้วยโลหะ, อภิญญา ศิริพร

Chulalongkorn University Theses and Dissertations (Chula ETD)

ความนิยมที่มากขึ้นในการใช้งานสีย้อมอินทรีย์ในอุตสาหกรรมสิ่งทอ จึงทำให้เกิดความกังวลเป็นอย่างมากเนื่องจากสีย้อมอินทรีย์เป็นอันตรายและก่อให้เกิดมลพิษทางน้ำ ความเป็นพิษของสีย้อมเหล่านี้ส่งผลเสียต่อระบบนิเวศ สีย้อมเหล่านี้มีความเสถียรมากเนื่องจากสีย้อมเหล่านี้ได้จากการสังเคราะห์และมีโครงสร้างโมเลกุลที่ซับซ้อน ดังนั้นงานวิจัยนี้จึงศึกษาการกำจัดสีย้อมที่ปนเปื้อนในน้ำโดยการดูดซับด้วยตัวดูดซับเมโซพอรัสซิลิกาและตัวดูดซับเมโซพอรัสซิลิกาที่โหลดด้วยโลหะ ตัวดูดซับเมโซพอรัสซิลิกาจะเตรียมโดยใช้วิธีแม่แบบชนิดอ่อน สีย้อมอินทรีย์ที่เลือกใช้ ได้แก่ สีย้อมเอซิดบลูซึ่งเป็นสีย้อมที่มีประจุลบ และสีย้อมเมทิลีนบลูซึ่งเป็นสีย้อมที่มีประจุบวก โดยมีการศึกษาผลของปัจจัยต่าง ๆ ที่มีต่อการดูดซับซึ่งจะรายงานผลในเทอมของร้อยละการกำจัดสีย้อม ลักษณะเฉพาะของตัวดูดซับสังเคราะห์จะวิเคราะห์ด้วยด้วยเทคนิคการเลี้ยวเบนของรังสีเอกซ์ การดูดซับการคายซับด้วยก๊าซไนโตรเจน เทคนิคฟูเรียร์ทรานส์ฟอร์มอินฟราเรดสเปกโตรสโคปี และ ผลรวมของประจุบนพื้นผิวตัวดูดซับเท่ากับศูนย์ จากผลการทดลองพบว่า ตัวดูดซับ 15Zn/MS600nc สามารถกำจัดสีย้อมเอซิดบลูได้ร้อยละ 100 เมื่อใช้ความเข้มข้นเริ่มต้นของสีย้อมเอซิดบลู 300 มิลลิกรัมต่อลิตร ความเป็นกรดด่างเท่ากับ 7 และปริมาณตัวดูดซับ 0.1 กรัม ภายในเวลา 15 นาที ตัวดูดซับ 15Zn/MS600c แสดงร้อยละการกำจัดสีย้อมสีเมทิลีนบลูที่ร้อยละ 94 เมื่อใช้ความเข้มข้นเริ่มต้นของสีย้อมเมทิลีนบลู 100 มิลลิกรัมต่อลิตร ความเป็นกรดด่างเท่ากับ 11 และปริมาณตัวดูดซับ 0.1 กรัม ภายในเวลา 15 นาที จากการศึกษาแบบจำลองจลนพลศาสตร์การดูดซับ พบว่า การดูดซับบนตัวดูดซับ 15Zn/MS600nc มีความสอดคล้องกับแบบจำลองของอาฟ์รามี โดยมีค่าสัมประสิทธิ์สหสัมพัทธ์เท่ากับ 0.9995 ในขณะที่ตัวดูดซับ 15Zn/MS600c เมื่อพิจารณาจากค่าสัมประสิทธิ์สหสัมพัทธ์ซึ่งมีค่าเท่ากับ 0.9695 จะมีความสอดคล้องกับแบบจำลองปฏิกิริยาอันดับสองเทียม

Michael Addition In Water Using Dialkyldithiocarbamate Salt As Double-Chain Amphiphilic Organocatalyst, Panassilp Authai

Chulalongkorn University Theses and Dissertations (Chula ETD)

Water, a green solvent in organic synthesis, poses challenges due to its high polarity, leading to poor solubility of organic compounds. To address this challenge, employing amphiphiles to create nanoreactors enhances homogeneity and reaction efficiency. Recently, catanionic vesicles generated by combining oppositely charged amphiphiles, have shown promise as alternative nanoreactors. However, their full potential remains unexplored. In this study, we designed novel CatAnionic vesicles derived from N,N-dialkyldithiocarbamates (DTCs), synthesized through a one-step condensation with excellent yields. The DTC amphiphiles in water formed vesicles and catalyzed Michael addition. N,N-didodecylammonium N,N-didodecyldithiocarbamate (AmDTC-C12C12) exhibited the highest reactivity for catalysis of Michael addition to …

Virtual Simulation Platform To Support Learning In Column Selection For Gas Chromatography, Lianrong Zhang

Chulalongkorn University Theses and Dissertations (Chula ETD)

In this research, a virtual simulation platform was developed to support lecture-based teaching for gas chromatography (GC) coupled with a flame ionization (FID) detector. This platform utilizes a computerized three-dimensional (3D) model created using Blender, Unity, Visual Studio, and starter assets programs. It mimics laboratory and experimental learning to optimize GC conditions, including column types, column length, column diameter, gas flow rate, and sample injection for the separation of kerosene, derivatized milk, and perfume from sources such as aircraft, plants, and perfume samples. A spreadsheet-based simulation was used to simulate chromatograms of defined chemical compositions under various conditions. The retention …

Design And Synthesis Of Quaternized Hyaluronic Acid-Quercetin-Carrageenan Nanocomplexes For Anticancer Drug Delivery, Ifra Aslam

Chulalongkorn University Theses and Dissertations (Chula ETD)

The objective of this research is to synthesize a polyelectrolyte nano-complex for anticancer drug delivery, utilizing natural biopolymers with enhanced therapeutic capabilities, biodegradability, and low toxicity. Traditional anticancer drugs are often hydrophobic and pose significant challenges in delivery, as well as causing toxicity to normal cells. In this study, Plai extract, known for its anticancer properties, was employed into a novel polyelectrolyte complex carrier composed of quaternized hyaluronic acid-quercetin (Quat-HA-QT) with carrageenan. The design involved: (i) utilizing hyaluronic acid (HA) for its CD-44 receptor affinity on tumor cells, (ii) modifying HA with Quat-188 to impart a positive charge and incorporating …

Scaffolds From Natural Polymers And Soy Protein For Cultured Meat Production, Utumporn Butkatanyoo

Chulalongkorn University Theses and Dissertations (Chula ETD)

To overcome the problems of livestock farming, cultured meat technologies have been developed. Cultured meat is an alternative way to produce meat by culturing cells in vitro using tissue engineering technology. The construction of cultured meat requires a scaffold to support cell proliferation and differentiation. Herein this research, polysaccharides namely high acyl gellan gum (HG) and konjac (KJ) together with a plant-based protein, soy protein isolate (SP) were used to develop scaffolds for cultured meat production. The composite scaffolds were prepared by freeze-drying and followed by ionic crosslinking. The composition of HG, KJ, and SP had a strong influence on …

Lasr3fe3-Xmxo10-& (M=Cr, Mn, And Ti) Ruddlesden-Popper Oxide Electrodes For Solid Oxide Fuel Cell, Muhammad Shaban Asghar

Chulalongkorn University Theses and Dissertations (Chula ETD)

The Ruddlesden-Popper (RP) oxides LaSr3Fe3-xMxO10-δ (M=Cr, Mo, with x = 0-1.0 and Ti with x = 0-1.5) have been synthesized by using a solid-state method and investigated as electrode materials for solid oxide fuel cells. The study investigated the impact of substituting Cr, Mo, and Ti in LaSr3Fe3O10 on its structure, thermal expansion property, electrical conductivity, and electrode performance. The prepared oxides showed a tetragonal crystal structure with the space group 14/mmm. The existence of phase change from LaSr3Fe3-xMxO10-δ to perovskite was detected when the content of Cr and Mo exceeded x > 0.5, but for Ti substitution, original structure remained …

การกำจัดคาร์บอนไดออกไซด์จากสารละลายไตรเอทาโนลามีนโดยใช้คอมพอสิตชีวภาพที่มีชีวิตจุลสาหร่าย-ใยบวบ, ธนกฤต คมขำ

Chulalongkorn University Theses and Dissertations (Chula ETD)

ปัจจุบัน การบรรเทาวิกฤติการเปลี่ยนแปลงสภาพภูมิอากาศเป็นปัญหาเร่งด่วนสำหรับโลกของเรา คาร์บอนไดออกไซด์ (Carbon dioxide: CO2) เป็นหนึ่งในแก๊สเรือนกระจก ซึ่งเป็นสาเหตุหลักของการเกิดภาวะโลกร้อน ความเข้มข้นเฉลี่ย CO2 ทั่วโลกมากกว่า 410 ppm หนึ่งในวิธีการทั่วไปสำหรับดักจับการปลดปล่อย CO2 ใช้ตัวทำละลายเอมีนในหน่วยดูดซึม กระบวนการนี้เป็นที่รู้กันว่ามีประสิทธิภาพและอัตราการดูดซึมสูง อย่างไรก็ตาม ข้อเสียของกระบวนการนี้ส่วนใหญ่เกี่ยวข้องกับการใช้พลังงานสำหรับการคืนสภาพตัวทำละลายจากการให้ความร้อนสูงในหน่วยไล่แก๊ส ดังนั้น จึงจำเป็นต้องหาทางเลือกอื่น เช่น การคืนสภาพเอมีนผ่านกระบวนการเชิงชีวภาพโดยใช้จุลสาหร่าย ซึ่งไม่ต้องใช้ความร้อนและสามารถสร้างผลิตภัณฑ์มูลค่าเพิ่มจากชีวมวลอย่างเชื้อเพลิงชีวภาพได้ อย่างไรก็ตาม จุลสาหร่ายมีข้อเสียในแง่ของอัตราการดูดซึม CO2 ต่ำ ดังนั้น การบูรณาการกระบวนการทั้งสองอาจเป็นกุญแจสำคัญเพื่อยกระดับความสามารถการดักจับ CO2 เมื่อไม่นานมานี้ คอมพอสิตชีวภาพที่มีชีวิต (Living biocomposites) ที่ยกระดับการเพาะเลี้ยงแขวนลอยแบบดั้งเดิมได้ถูกพัฒนาขึ้น ด้วยเทคโนโลยีนี้ การตรึงจุลสาหร่ายบนวัสดุรองรับที่เข้ากันได้ทางชีวภาพโดยใช้สารยึดเกาะเหนือกว่าระบบแขวนลอยในแง่ของอัตราการดักจับ CO2 ในงานวิจัยนี้ คอมพอสิตชีวภาพที่มีชีวิตจุลสาหร่าย-ใยบวบด้วยการตรึง Scenedesmus acuminatus TISTR 8457 โดยใช้สารยึดเกาะอะคริลิกถูกสร้างขึ้นเพื่อกำจัด CO2 จากสารละลายไตรเอทาโนลามีน (Triethanolamine: TEA) ที่เต็มไปด้วย CO2 การทดสอบการกำจัด CO2 โดยใช้ TEA 1 M ที่อัตราส่วนการโหลด CO2 แตกต่างกัน (0.2 0.4 0.6 และ 0.8 โมล CO2 ต่อโมล TEA) แสดงให้เห็นว่าคอมพอสิตชีวภาพมีอัตราการกำจัด CO2 มากกว่าระบบแขวนลอย 3 ถึง 4 เท่าในช่วงระยะเวลา 28 วันทุกอัตราส่วนการโหลด CO2 ที่ทดสอบ

Use Of Porphyrin Derivatives As Ionophore In Polymeric Membrane Electrode For Ferric Ion Detection, Tanakorn Khongluang

Chulalongkorn University Theses and Dissertations (Chula ETD)

In this work, a polymeric membrane electrode was prepared for ferric ion detection (Fe3+) in water by using a porphyrin derivative, tetrakis (4-dodecyloxyphenyl)porphyrin (L1) and tetrakis(4-methoxyphenyl) porphyrin (L2), as ionophore. Different ratios of membrane composition were studied to prepare membranes containing a total mass of 220 mg. The membrane prepared using polyvinyl chloride (PVC) 33% wt, bis(2-ethylhexyl)sebacate (DOS) 66% wt, ionophore L1 0.18 %wt (0.3 µmol) and potassium tetrakis(4-chlorophenyl)borate (KTClPB) 2.71 × 10-3 %wt (40 mol% relative to ionophore) as membrane additive showed the best response to Fe3+, judging from the selectivity coefficients of the polymeric membrane electrode against other …

Characterization Of Volatile Organic Compounds In Black Goji Berry Lycium Ruthenicum Juice Fermented With Lactobacillus Spp. Using Gas Chromatography-Mass Spectrometry, Sehrish Javed

Chulalongkorn University Theses and Dissertations (Chula ETD)

In this work, volatile organic compounds (VOCs) in fermented black goji berry juice with Lactobacillus spp. (L.rhamnosus and L.paracasei) were characterized by gas chromatography-mass spectrometry combined with headspace-solid phase microextraction (HS-SPME-GC-MS). The fermented black goji berry juice samples were found to contain at least 60 VOCs, including alcohols, aldehydes, esters, ketones, phenols and organic acids, with five major VOCs such as 3,7-dimethylocta-1,6-dien-3-ol, 2-ethylidene-6-methylhepta-3,5-dienal, (E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one, 2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione, 2-ethyl-3-hydroxyhexyl-2-methylpropanoate. In overall comparison, fermented black goji berry (GB) samples promoted VOCs in order (i) 24HF > 0HF, and (ii) 10% GB slightly > 5% GB > 2.5% GB. In addition, L. rhamnosus predominantly promoted particular VOCs in …

Mil-53(Fe)-Loaded Polyethyleneimine-Cellulose Aerogel As Adsorbent For Arsenic Removal, Fikri Haikal

Chulalongkorn University Theses and Dissertations (Chula ETD)

This work focuses on fabricating a new type of cellulose-based aerogel composite consisting of hydroxypropylmethylcellulose (HPMC), MIL-53(Fe), and polyethyleneimine-grafted nanocellulose (PEI-NC) for arsenic removal. The aerogel composites were prepared through the sol-gel method and freeze-drying. The physical properties and adsorption performance of the prepared composites were determined. Under the optimized condition, the composites could be prepared using 2% HPMC, 1% PEI-NC, and 1% MIL-53(Fe) using 1.8% N,N-methylenebisacrylamide (MBA), and 1 % glutaraldehyde as crosslinkers. The obtained aerogel composites showed excellent stability in water and good water uptake capability. The composites were characterized by FTIR and SEM-EDS, showing a hierarchical 3d-network …

Theoretical Study Of Nickel-Complex Electrocatalyzed Carbon Dioxide Conversion, Wilasinee Santiwarodom

Chulalongkorn University Theses and Dissertations (Chula ETD)

The electrochemical conversion of CO2 to CO using nickel-N4-Schiff base complexes as catalysts was studied by Density Functional Theory (DFT). Three nickel complexes from Juthathan et. al. were analyzed: 1-Ni, 2-Ni, and [2-Ni]Me. Two CO2 conversion pathways, external and internal proton transfer, were proposed, and their reaction energy profiles were computed. The external proton transfer pathway, which involves three steps, does not contain a transition state. All steps are exothermic, with the overall reaction energies being lowest for 1-Ni (-5.72 eV), followed by 2-Ni (-5.56 eV) and [2-Ni]Me (-5.54 eV). The internal proton transfer pathway consists of four steps, including …

Fabrication Of Sr0.2fe0.9ni0.1moo6 Anode Supported Sofc By Powder Injection Molding And Preparation Of Thin Film Electrolyte By Electrophoretic Deposition, Kulanis Supprasert

Chulalongkorn University Theses and Dissertations (Chula ETD)

In this study, the properties and fabrication factors of solid oxide fuel cells (SOFCs) with anode support comprising Gd0.20Ce0.80O1.95(GDC)-Sr2Fe0.9Ni0.1MoO6(SFNi0.1M), a GDC thin-film electrolyte, and a Sr0.5Sm0.5CoO3 (SSC) cathode for intermediate temperature SOFCs (600-800°C) were investigated. The GDC-SFNi0.1M anode material showed good structural compatibility without impurity phase formation. The determination on optimal parameters for powder injection molding of the GDC-SFNi0.1M anode (50:50 and 70:30 by weight) indicated that the feedstock powder-to-binder ratios significantly affected the anode support formability, density, and porosity. An optimal injection molding was successfully achieved on the ratios between the GDC-SFNi0.1M and the PEG and PVB mixed binders …

Synthesis Of Mixed Metal High Entropy Oxyhalide For Photocatalytic Degradation Of Tetracycline, Chakgrid Noomak

Chulalongkorn University Theses and Dissertations (Chula ETD)

High entropy materials (HEMs) are new types of materials that contain five or more elements. HEMs have been applied in various applications. It has been proven that HEMs with multielement can provide good structural stability. However, the application of HEMs in the field of photocatalytic has rarely been reported. Therefore, it is interesting to construct HEMs to be used as photocatalysts. In this work, we designed and fabricated a mixed metal high entropy halide (SrxBa1-xBiO2Br), a novel photocatalyst that contains five elements in the structure, by incorporating metals (Sr and Ba) into bismuth oxybromide material (BiOBr) to enhance their stability …

Carbon-Based Polymer Composite For Electrochemical Sensing Of Creatinine Sodium Potassium And Calcium Ions, Kanyapat Teekayupak

Chulalongkorn University Theses and Dissertations (Chula ETD)

Electrochemical sensors have emerged as indispensable tools for various applications including environmental monitoring, food safety, and biomedical diagnostics owing to their simplicity, sensitivity, and fast response. However, traditional methods for electrode fabrication are often associated with drawbacks such as cleanroom requirements, multi-step processes involving toxic materials, high waste consumption, and high costs. To address the limitations, this dissertation evaluates the utilization of 3D printing, laser engraving, and inkjet printing technologies for the fabrication of electrochemical sensors based on carbon-based polymer composites. In the first part, a 3D-printed electrochemical sensor based on a copper oxide nanoparticle-ionic liquid/reduced graphene oxide (CuO-IL/rGO) modified …

Cascade Synthesis Of 4h-Chromenes By Dialkyldithiocarbamate Organocatalyst, Ayodele Joshua Atibioke

Chulalongkorn University Theses and Dissertations (Chula ETD)

Environmentally benign N,N-didodecylammonium N,N-didodecyldithiocarbamate (AmDTC-C12C12) is used as an organocatalyst in water. AmDTC-C12C12 self-assembles into a CatAnionic vesicular nanoreactor in water and is synthesized with a high yield (98%) from N,N-didodecylamine and carbon disulfide. The catalytic activity of AmDTC-C12C12 (10 mol%) was investigated in the cascade synthesis of 4H-chromene via double cascade Michael addition/hemiketalization between 2-hydroxy-trans-β-nitrostyrene and acetylacetone in water at room temperature, yielding 2-chromanols. Dehydration of 2-chromanols with catalytic p-toluene sulfonic acid produced 4H-chromenes in moderate yields (34–60%) and -nitro ketones as co-products (13–27%). Using Michael donors with aromatic moieties led to a spontaneous triple cascade (Michael addition/hemiketalization/retro-Claisen fragmentation) …

Methyl Isobutyrate Production Via Hydrogenation Of Methyl Methacrylate Derived From Pyrolysis Of Acrylic Plastic Waste, Ramzi Nasser Ahmed Saif

Chulalongkorn University Theses and Dissertations (Chula ETD)

According to zero waste and upcycling policy, this work aims to utilize waste polymethyl methacrylate (PMMA) to methyl isobutyrate (MIB) via hydrogenation over nickel (Ni) based catalysts supported on commercial zeolites: HY, H-Beta-27 (SiO2/Al2O3 = 27 by mole), H-Beta-40 (SiO2/Al2O3 = 40 by mole) and H-ZSM-5. The appropriate catalyst support was first screen by using MMA monomer as the substrate for hydrogenation. Under 30 bar initial H2 pressure (PH2) at 250 °C for 3 h, Ni/H-Beta-27 catalyst effectively promoted hydrogenation to achieve 85% MMA conversion with 56.2 wt% MIB yield because of its larger external surface area and pore size. …

Structural, Thermal, Optical, And Mechanical Properties Of Composite Films Developed From The Button Mushroom (Agaricus Bisporus)-Sourced High Molecular Weight Chitosan And Potato Starch, Buliyaminu A. Alimi, Monjural Hoque, Shivani Pathania, Jude Wilson, Brendan Duffy, Jesus Maria Frias

Articles

Films were fabricated using the button mushroom (Agaricus bisporus) sourced high molecular weight chitosan with or without potato starch using the casting method. Glycerol was used as the plasticizer. Chitosan content in the film-forming solution (FFS) was varied (0.5, 0.75 and 1.0% w/v of FFS) while potato starch (1.0% of FFS) and glycerol (25% of the total solid content in the solution) contents were not varied. The control sample contained only chitosan (1.0% of the FFS) and glycerol. The effect of increasing the content of chitosan on the rheological properties of FFS and the properties of the films were investigated. …

First Review Of Equilibrium Landscape Of Ingress/Egress Channels And Gating Residues Of The Cytochrome P450 3a4, Edward Ackad Ph.D, Maria Kontoyianni

SIUE Faculty Research, Scholarship, and Creative Activity

The review document and changes made to "Equilibrium Landscape of Ingress/Egress Channels and Gating Residues of the Cytochrome P450 3A4".

Silica Particles Convert Thiol-Containing Molecules To Disulfides, Yangjie Li, Kurt W. Kolasinski, Richard N. Zare

Chemistry Faculty Publications

Synthetic amorphous silica is a common food additive and a popular cosmetic ingredient. Mesoporous silica particles are also widely studied for their potential use in drug delivery and imaging applications because of their unique properties, such as tunable pore sizes, large surfaces areas, and assumed biocompatibility. Such a nanomaterial, when consisting of pure silicon dioxide, is generally considered to be chemically inert, but in this study, we showed that oxidation yields for different compounds were facilitated by simply incubating aqueous solutions with pure silica particles. Three thiol-containing molecules, L-cysteine, glutathione, and D-penicillamine, were studied separately, and it was found that …

Using Wastewater-Based Epidemiology To Study Chlamydia Occurrence On A College Campus, Jessie E. Chin Quee

Honors Undergraduate Theses

Chlamydia is a sexually transmitted disease caused by Chlamydia trachomatis, commonly affecting sexually active college-aged adults. Presently, opportunistic testing, self-testing, and information campaigns are methods to screen vulnerable populations and raise awareness about chlamydia. Chlamydia remains underdiagnosed and undertested due to a lack of participation by individuals who may have been exposed to it. Wastewater-based epidemiology is a rising biomonitoring tool that detects the presence of disease- and drug-specific biomarkers in a community's wastewater. In this study, wastewater-based epidemiology was used to detect the presence of C. trachomatis on the University of Central Florida campus. Wastewater samples were collected …

Comprehensive Evaluation Of A Novel Re-Crosslinkable Preformed Particle Gel For The Water Management Of Reservoir With Concentrated Divalent Ions, Tao Song, Mohamed Ahdaya, Zhanmiao Zhai, Thomas P. Schuman, Baojun Bai

Chemistry Faculty Research & Creative Works

As one of the most widely used technology to ameliorate the reservoir's heterogeneity, polymer gels have been applied for more than 60 years. However, how to plug fractured reservoirs with significant abnormal features, high temperature and high salinity, especially the divalent cations, is still a challenging target. This work systematically evaluated a novel salt-resistant re-crosslinkable preformed particle gel (SR-RPPG) designed for fractured reservoirs with excellent salt resistance (up to 5 % CaCl₂). We evaluated the swelling kinetics, thermal stability and plugging efficiency of this SR-RPPG. We assessed the swelling kinetic and re-crosslinking behavior of the SR-RPPG through the …

Temperature Dependence Of The Electronic Absorption Spectrum Of No2, Steve Ndengué, Ernesto Quintas Sánchez, Richard Dawes, Christopher C. Blackstone, David L. Osborn

Chemistry Faculty Research & Creative Works

The nitrogen dioxide (NO₂) radical is composed of the two most abundant elements in the atmosphere, where it can be formed in a variety of ways including combustion, detonation of energetic materials, and lightning. Relevant also to smog and ozone cycles, together these processes span a wide range of temperatures. Remarkably, high-resolution NO₂ electronic absorption spectra have only been reported in a narrow range below about 300 K. Previously, we reported [ J. Phys. Chem. A 2021, 125, 5519−5533 ] the construction of quasi-diabatic potential energy surfaces (PESs) for the lowest four electronic states (X̃, Ã, B̃, …

Inter-Rater Agreement For The Annotation Of Neurologic Signs And Symptoms In Electronic Health Records, Chelsea Oommen, Quentin Howlett-Prieto, Michael D. Carrithers, Daniel B. Hier

Chemistry Faculty Research & Creative Works

The extraction of patient signs and symptoms recorded as free text in electronic health records is critical for precision medicine. Once extracted, signs and symptoms can be made computable by mapping to signs and symptoms in an ontology. Extracting signs and symptoms from free text is tedious and time-consuming. Prior studies have suggested that inter-rater agreement for clinical concept extraction is low. We have examined inter-rater agreement for annotating neurologic concepts in clinical notes from electronic health records. After training on the annotation process, the annotation tool, and the supporting neuro-ontology, three raters annotated 15 clinical notes in three rounds. …

Using Catalysis To Control The Morphology And Stiffness Of Shape Memory Poly(Isocyanurate-Urethane) (Pir-Pur) Aerogels, A. B.M. Shaheen Ud Doulah, Chandana Mandal, Hojat Majedi Far, Vaibhav A. Edlabadkar, Rushi U. Soni, Stephen Y. Owusu, Nicholas Leventis, Chariklia Sotiriou-Leventis

Chemistry Faculty Research & Creative Works

A large array of anhydrous metal ions were tested as catalysts in the preparation of shape memory poly(isocyanurate-urethane) (PIR-PUR) aerogels from the reaction of 1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione (Desmodur N3300A: a well-known isocyanurate-based aliphatic triisocyanate) and triethylene glycol (TEG) in anhydrous acetonitrile. The reaction yielded wet gels that were dried into aerogels in an autoclave with supercritical fluid CO2. The catalytic activity was mostly identified among CH3CN-soluble salts (mainly chlorides) of third-row d-block elements from iron to zinc, group 13 elements from aluminum to thallium, as well as cadmium, bismuth, and tin. Tin (119Sn) NMR indicated that the metal ion complexes with TEG, …

An Explainable Deep Learning Model For Prediction Of Severity Of Alzheimer's Disease, Godwin Ekuma, Daniel B. Hier, Tayo Obafemi-Ajayi

Chemistry Faculty Research & Creative Works

Deep Convolutional Neural Networks (CNNs) have become the go-To method for medical imaging classification on various imaging modalities for binary and multiclass problems. Deep CNNs extract spatial features from image data hierarchically, with deeper layers learning more relevant features for the classification application. Despite the high predictive accuracy, usability lags in practical applications due to the black-box model perception. Model explainability and interpretability are essential for successfully integrating artificial intelligence into healthcare practice. This work addresses the challenge of an explainable deep learning model for the prediction of the severity of Alzheimer's disease (AD). AD diagnosis and prognosis heavily rely …