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Articles 1 - 30 of 95
Full-Text Articles in Other Chemistry
Taking A Deeper Look: Attributing Tonal Values Of Photolumens To Their Emulsions Using Scanning Electron Microscopy, Anna M. Moore
Taking A Deeper Look: Attributing Tonal Values Of Photolumens To Their Emulsions Using Scanning Electron Microscopy, Anna M. Moore
All Theses
This thesis examines whether tonal variation in photolumens made with historic silver gelatin photographic papers can be linked to differences in elemental composition. Photolumens are cameraless photographic images created by placing objects directly on light-sensitive paper and exposing them to ultraviolet light. Because expired and historic darkroom papers often produce unpredictable colors and tones, this study asks whether visually defined tonal groups also show measurable chemical differences.
Twenty historic paper samples were exposed, documented, and sorted into five tonal groups based on visible image characteristics. Each sample was then analyzed using scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS) …
The Chemistry Of Red Lipstick: The Impact Red Lipstick Has On Society, Lilliana Weldeslassie
The Chemistry Of Red Lipstick: The Impact Red Lipstick Has On Society, Lilliana Weldeslassie
Electronic Theses & Dissertations (2024 - present)
Cosmetic chemistry is deeply embedded in everyday life, shaping the products people use from morning to night. Among these, red lipstick stands out as a formulation that blends complex chemistry with a cultural meaning. This thesis examines the scientific foundations of red lipstick through its chemical composition, pigment structure, toxicological history, analytical methods, and evolving sustainability practices. Historically, red lipsticks relied on high-risk ingredients such as lead, mercury, and other toxic metals, reflecting an era before chemical safety and regulatory oversight were incorporated.21 Modern formulations have established safer synthetic dyes, natural waxes, plant-based oils, and stabilizers created to optimize …
Trade-Off Between Limonene & Geraniol-Based Reprocessable And Non-Reprocessable Epoxy Thermosets: Role Of Aliphatic Diamines In Polymer Networks Design, Priyankkumar Kanubhai Patel
Trade-Off Between Limonene & Geraniol-Based Reprocessable And Non-Reprocessable Epoxy Thermosets: Role Of Aliphatic Diamines In Polymer Networks Design, Priyankkumar Kanubhai Patel
Electronic Theses & Dissertations
The growing demand for sustainable materials, driven by environmental concerns and the rapid depletion of fossil fuels, has garnered significant attention in the fabrication of bio-based epoxy thermosets as renewable alternatives to petroleum-derived thermosetting polymers. The present study focuses on the synthesis and characterization of epoxy prepolymer resins derived from limonene and geraniol via a two-step process, followed by the fabrication of thermally cross-linked flexible epoxy thermoset films using various traditional aliphatic diamine curing agents, namely 1,2-ethylenediamine (EDA), 1,4-butylenediamine (BDA), and 1,6-hexamethylenediamine (HDA). Additionally, the incorporation of cystamine, a disulfide-containing diamine, enabled the formation of a covalent adaptable network through …
The Reveal: A Technical Study And Conservation Treatment Of An Overpaint Portrait, Camille Ferrer
The Reveal: A Technical Study And Conservation Treatment Of An Overpaint Portrait, Camille Ferrer
Art Conservation Master's Projects
A severely damaged 19th-century oil painting depicting a portrait of a woman was treated at Patricia H. and E. Garman Art Conservation Department. A typed letter provided by the owner mentioned that it has been previously restored yet returned with unsatisfactory results. After further examination, the painting appeared to have been previously treated multiple times by different people. There was overpaint distinctly present on the face and later discovered to be present overall. The full state of condition of the painting was initially unknown due to the sum of the surface being overpainted. However, there were evidence of paint loss …
Probing The Surface Structure Of Ferrocene Modified Electrodes Using Cyclic Voltammetry, Rebekah S. Stanley
Probing The Surface Structure Of Ferrocene Modified Electrodes Using Cyclic Voltammetry, Rebekah S. Stanley
Reviews, Analyses, and Instructional Studies in Electrochemistry (RAISE)
Modifying electrodes imparts new electrochemical properties for use in various applications. To fully understand these electrochemical properties the structure of the modified surface needs to be characterized. Cyclic voltammetry (CV) offers a quick and simple way to determine if the surface structure has been homogeneously modified even at low surface concentrations. Nonideal responses in CV scans give insights to the microenvironments and structure of the monolayer surface that may be indistinguishable in other techniques. Peak fitting CV data, coupled with other surface techniques, can further characterize the contributions and nature of these microenvironments and aid in structural determination.
Melting Point Predictions Of Thermally Stable Ionic Liquids Using A Machine Learning Approach, Jarod Morris
Melting Point Predictions Of Thermally Stable Ionic Liquids Using A Machine Learning Approach, Jarod Morris
Poster Presentations
Thermally robust ionic liquids hold promise as high-temperature solvents, heat transfer fluids, and high-performance lubricants. These ionic liquids, inspired by thermoplastics like PEEK and PES, incorporate peraryl functional groups that lend them high thermal stability, however they often have melting points greater than 100 °C. A broad liquid range is usually desirable in most applications, so finding thermally robust ILs with lower melting points would significantly enhance their applicability. In this study, machine learning models are developed to make predictions of melting points for these thermally stable ionic liquids using a process called quantitative structure-property relationships (QSPR). The methodology used …
Temperature-Dependent Stress–Strain Behavior Of Amorphous And Crystalline P3ht, Kehinde H. Fagbohungbe, Connor P. Callaway, Chad Risko
Temperature-Dependent Stress–Strain Behavior Of Amorphous And Crystalline P3ht, Kehinde H. Fagbohungbe, Connor P. Callaway, Chad Risko
UK CARES Faculty Publications
The scalable commercialization of organic electronics wherein p-conjugated polymers serve as the semiconductors hinges on precise control of the material electronic, redox, optical, and mechanical properties, which are each highly influenced by local and long-range morphology. Here, we undertake atomistic molecular dynamics (MD) simulations at three temperatures (150 K, 300 K, and 400 K) to assess the morphological and mechanical response of bulk poly(3-hexylthiophene) (P3HT), a representative homopolymer of interest as an organic semiconductor (OS). As P3HT is a semicrystalline polymer, we characterize mechanical properties for both amorphous and crystalline P3HT models to derive insights into structure–property relationships, including Young’s …
Fundamental Studies Of Optical Properties And Electrocatalytic Properties Of Low Dimensional Nanomaterials Carbon Nano Dots And 2d Transition Metal Dichalcogenides, Nadeesha Kothalawala
Fundamental Studies Of Optical Properties And Electrocatalytic Properties Of Low Dimensional Nanomaterials Carbon Nano Dots And 2d Transition Metal Dichalcogenides, Nadeesha Kothalawala
Theses and Dissertations--Chemistry
Low dimensional nanomaterials are widely used in a variety of applications such as opto-electronics, energy production and storage, and bio-medical applications due to their unique optical, catalytic, electronic, and mechanical properties. Most of the nanomaterials offer a plethora of modifications in their structure, composition, morphology, and dimensionality that can lead to the manipulation of their physiochemical properties. This dissertation presents insight into two types of compelling nanomaterials: carbon nanodots (CND) and transition metal dichalcogenides (TMD), investigating their optical and electrocatalytic properties respectively.
Carbon nanodots (CND) are a promising class of photoluminescent nanomaterials that hold a significant potential in many optoelectronic …
Exploring Soybean Oil-Based Polyol And Effect Of Non-Halogenated Flame Retardants In Rigid Polyurethane Foam, Sahithi Kondaveeti
Exploring Soybean Oil-Based Polyol And Effect Of Non-Halogenated Flame Retardants In Rigid Polyurethane Foam, Sahithi Kondaveeti
Electronic Theses & Dissertations
To address the increasing demand for sustainable biomaterials due to the depletion of fossil fuel resources and growing environmental concerns, a new type of biodegradable and environmentally friendly rigid polyurethane foam (RPUF) has been synthesized. These foams are derived from chemically modified soybean oil-based polyol obtained from soybean oil by epoxidation followed by a ring-opening reaction. Polyurethane foam is generally used in construction, furniture, and automobile industries but is highly flammable and releases toxic gases and smoke during combustion. In this study, a highly efficient synergistic effect halogen-free flame-retardant (FR) melamine salt, 2-carboxyethyl(phenyl)phosphinic acid melamine salt (CMA) was synthesized from …
Enhanced Mechanical Strength Of Soybean Oil-Based Non-Isocyanate Polyurethane Adhesive For Wood Application By Introducing Nanofillers, Vatsal Chaudhari
Enhanced Mechanical Strength Of Soybean Oil-Based Non-Isocyanate Polyurethane Adhesive For Wood Application By Introducing Nanofillers, Vatsal Chaudhari
Electronic Theses & Dissertations
Polyurethane (PU) is a versatile material that finds extensive use in various industries including bedding, construction, automotive, and packaging. Historically, this particular polymer relied significantly on petrochemical resources, a practice that was considered to have negative environmental impacts. The conventional method for preparing PU involves the use of isocyanate, which is a disadvantage due to its negative impact on the environment and human health. The resolution of this problem entails identifying an appropriate substitute for petroleum-derived products that minimize their impact on both the environment and human health. The researchers earlier utilized soybean oil, for the formulation of PUs in …
Castor Oil Polyol-Based Adhesives With Additional Crosslinker For Improvement In Mechanical And Thermal Properties., Yash Desai
Electronic Theses & Dissertations
Polyurethanes (PU) have been promising polymeric materials with many applications, including adhesives. Projecting an estimated revenue from 42.8 billion $ in 2021 to 61.5 billion $ by 2026. However, a large number of PU adhesives are sourced from petroleum products. Therefore, to lower the dependence on non-renewable resources and provide sustainable and affordable alternatives. In this work will synthesize bio-based adhesives of polyurethane from modified castor oil-based polyol. Generally, polyurethane reaction depends on the properties of polyol and isocyanates. The most important aspect of these reactions is the OH number of the polyol, which is responsible for the crosslinking and …
Substituent Effects And Mechanistic Insights On The Catalytic Activities Of (Tetraarylcyclopentadienone)Iron Carbonyl Compounds In Transfer Hydrogenations And Dehydrogenations, Bryn K. Werley, Xintong Hou, Evan P. Bertonazzi, Anthony Chianese, Timothy W. Funk
Substituent Effects And Mechanistic Insights On The Catalytic Activities Of (Tetraarylcyclopentadienone)Iron Carbonyl Compounds In Transfer Hydrogenations And Dehydrogenations, Bryn K. Werley, Xintong Hou, Evan P. Bertonazzi, Anthony Chianese, Timothy W. Funk
Chemistry Faculty Publications
(Cyclopentadienone)iron carbonyl compounds are catalytically active in carbonyl/imine reductions, alcohol oxidations, and borrowing hydrogen reactions, but the effect of cyclopentadienone electronics on their activity is not well established. A series of (tetraarylcyclopentadienone)iron tricarbonyl compounds with varied electron densities on the cyclopentadienone were prepared, and their activities in transfer hydrogenations and dehydrogenations were explored. Additionally, mechanistic studies, including kinetic isotope effect experiments and modifications to substrate electronics, were undertaken to gain insights into catalyst resting states and turnover-limiting steps of these reactions. As the cyclopentadienone electron density increased, both the transfer hydrogenation and dehydrogenation rates increased. A catalytically relevant, trimethylamine-ligated iron …
From Waste To Energy: The Electrochemical Reduction Of Co2 Using Recycled Nanostructured Catalysts, Ibrahim Badawy
From Waste To Energy: The Electrochemical Reduction Of Co2 Using Recycled Nanostructured Catalysts, Ibrahim Badawy
Theses and Dissertations
The reduction of carbon dioxide (CO2RR) using electrochemistry is a promising solution for the burgeoning global energy crisis. The overall vision of its implementation relies on renewable energy sources to power the reaction creating carbon neutral products and effectively closing the carbon cycle. Research in this field has come a long way since its inception in the mid-1900s. However, there remain significant hurdles and important considerations to overcome in order to reach full commercialization. Most electrocatalysts tested for CO2RR have been designed solely for maximum performance while ignoring the environmental consequences if such a material were …
A Computational Study Of Adsorptive Desulfurization In Metal Organic Frameworks, Kyle Concha
A Computational Study Of Adsorptive Desulfurization In Metal Organic Frameworks, Kyle Concha
Theses
Fossil fuel usage has been related to several concerns about the environment and human health. One of these concerns is related to fuels containing Organic Sulfur Compounds (OSCs) which upon burning produce hazardous compounds such as SO2 which contributes to acid rain and affects respiratory health. Removal of these OSCs is an important field of study as it can prevent the production of SOx compounds. One technique to remove OSCs is Adsorptive Desulfurization (ADS) in which Metal Organic Frameworks (MOFs) are potential candidates to be used as adsorbents. Two archetypal MOFs, HKUST-1 and Cu3HHTP2, …
Design And Applications Of Fmoc-Histidine And Aspartic Acid Tripeptides As Proton Conductive Materials, Shejla S. Pollozi
Design And Applications Of Fmoc-Histidine And Aspartic Acid Tripeptides As Proton Conductive Materials, Shejla S. Pollozi
Dissertations, Theses, and Capstone Projects
The increasing demand for clean and sustainable energy has driven forward rapid improvements in polymer-electrolyte fuel cells and the use of ion-conducting polymers (ionomers) as proton exchange membranes and catalyst binders. While perfluorinated electrolytes have been commercially used as conductive membranes for nearly four decades, a new class of sustainable, conductive materials has emerged, inspired by the efficiency of charge transport processes in biological systems. These molecules, knows as peptide amphiphiles (PAs), have gained popularity as building blocks for the bottom-up fabrication of nanomaterials through supramolecular self-assembly. Supramolecular nanostructures, often in the form of hydrogels, are held together via non-covalent …
Nanoscale Imaging Of Electrocatalytic Nanomaterials By High-Resolution Scanning Electrochemical Microscopy, Xiang Wang
Nanoscale Imaging Of Electrocatalytic Nanomaterials By High-Resolution Scanning Electrochemical Microscopy, Xiang Wang
Dissertations, Theses, and Capstone Projects
Numerous insights of the structure–electrochemical activity relationship of nanocatalysts have been obtained by using macroscopic electrochemical measurements over the last several decades. However, signals measured by large electrodes are inevitably averaged out of many nanocatalysts, non-uniformed sizes, uneven morphologies, and multiple crystallographic facets. Over the last ten years, Scanning Electrochemical Microscopy (SECM) has advanced electrochemical measurements toward micro- to nanoscale level at a high spatial resolution. The advantages of using nanoelectrode in SECM include fast mass transfer of reactive species, dominated radial diffusion pattern, small double layer capacitance and small RC constant. In this thesis, high-resolution SECM is applied to …
Feasibility Studies For Use Of Copper Slag In Clinker Manufacture, Suresh Vanguri, Suresh Palla, Gonthi Prasad, Sanjeev Kumar Chaturvedi, Bibekananda Mohapatra
Feasibility Studies For Use Of Copper Slag In Clinker Manufacture, Suresh Vanguri, Suresh Palla, Gonthi Prasad, Sanjeev Kumar Chaturvedi, Bibekananda Mohapatra
Makara Journal of Science
This study investigated the feasibility of using copper slag (CS-C) as a raw material in the production of Portland cement (PC). The effect of addition of 0%-3.5% CS-C on the clinkerization process, mineralogy, microstructure, and compressive strength development was studied. The Presence of CS-C in the raw mix resulted in the reduced temperature of clinkerization by about 50 °C. The quality of clinker prepared from the raw mix containing 3% CS-C and burned at 1400 °C was comparable to that of clinker prepared from the raw mix containing no CS-C and burned at 1450 °C. Gradual polymorphic modification of alite …
Biomaterials: From Scaffold Design To Implant Optimization, Jennifer Marie Armen
Biomaterials: From Scaffold Design To Implant Optimization, Jennifer Marie Armen
Electronic Theses and Dissertations
This work encompasses three individual projects concerning biomaterials and their modifications. Chemically-Induced Cross-Linking of Peptidic Fibrils for Scaffolding Polymeric Particles and Macrophages EAK16-II (EAK) is a self-assembling peptide (SAP) that forms β-sheets and βfibrils through ionic-complementary interactions at physiological ionic strengths. The soft materials can be injected in vivo, creating depots of drugs and cells for rendering pharmacological and biological actions. The scope of the applications of EAK is sought to extend to tissues through which the flow of extracellular fluid tends to be limited. In such anatomical locales the rate and extent of the fibrilization are limited insofar as …
Synthesis Of Inorganic-Organic Perovskite Hybrid Materials Via A Microwave Assisted Method, Anamika Poduval
Synthesis Of Inorganic-Organic Perovskite Hybrid Materials Via A Microwave Assisted Method, Anamika Poduval
LSU New Orleans Theses and Dissertations
The research presented here focusses on fabrication of organic modified inorganic two-dimensional and three-dimensional materials via microwave assisted methods. These hybrid materials are of importance due to their capacity to incorporate the characteristics of both organic and inorganic components. Microwave methods have been utilized to expedite the topochemical modification of layered perovskites. In one set of studies, microwave assisted grafting reactions were performed on layered perovskite (HLaNb2O7) materials with a series of hydroxy carboxylic acids. The reactivities of these organic compounds with the layered perovskites and the influence of precursor, temperature and time are demonstrated. The …
Valorization Of Biopolymers And Biomass To Produce Materials For A More Circular Economy, Moira Lauer
Valorization Of Biopolymers And Biomass To Produce Materials For A More Circular Economy, Moira Lauer
All Dissertations
With a globally increasing population and largely unchecked consumption of raw materials, human society is on track for devastating consequences. Two industries responsible for utilizing massive amounts of raw materials and generating equally gargantuan quantities of waste are the packaging and infrastructure sectors. In 2017 in Europe, for example, packaging reached a record 173 kg of packaging waste per capita. One of the largest packaging consumers is the food industry, in which 40% of packaging is made of petroleum-derived single-use plastic, leading to a massive carbon imbalance. “The Built Environment,” on the other hand, is responsible for about 50% of …
Ketal-Azaborine Versus Ketal-Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Heteroaromatic Polycyclic Chromophores, Albert Campbell, Janiyah Riley, Samuel Moore, Albert Campbell
Ketal-Azaborine Versus Ketal-Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Heteroaromatic Polycyclic Chromophores, Albert Campbell, Janiyah Riley, Samuel Moore, Albert Campbell
Symposium of Student Scholars
Flat-structured heteroaromatic polycyclic compounds with extended conjugated π-systems such as azaborines are in high demand in the material and imaging technology markets because of their unique features such as simultaneous tunability of fluorescence color and intensity. We have designed, synthesized, and investigated a series of novel conjugated thermally stable ketal-azaborine chromophores that contain a phenyl ring as a spacer between electronic moieties and the ketal-azaborine core as easily tunable high-luminescent organic materials. We investigated the impact of the phenyl spacer on the ketal-azaborine unit. We examined the structural effects on their photophysical properties by incorporating electron –donating and –withdrawing substituents …
Azaborine Versus Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Azaborine Chromophores, Kaia Ellis, Janiyah Riley, Lyric Gordon, Janiyah Riley
Azaborine Versus Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Azaborine Chromophores, Kaia Ellis, Janiyah Riley, Lyric Gordon, Janiyah Riley
Symposium of Student Scholars
Azaborines are fascinating compounds because of their valuable and interesting optical properties making them suitable to be utilized in many optoelectronic devices. We have designed, synthesized, and investigated a series of novel conjugated thermally stable azaborine chromophores by incorporating a phenyl ring as a spacer linking the chromophore to different electronic moieties as easily tunable high-luminescent organic materials. We investigated the effect of the phenyl spacer on the azaborine unit. The substituent effects of different electronic moieties were investigated by the insertion of electron –withdrawing and –donating moieties to the phenyl spacer. We examined the role of the electron –donating …
Development Of Peg-B-Pla Based Micelles For Neutralization Of A Toxic Peptide, Giselle Campos
Development Of Peg-B-Pla Based Micelles For Neutralization Of A Toxic Peptide, Giselle Campos
Graduate Theses/Dissertations
I herein report the preparation and characterization of PEG-b-PLA block copolymer micelles and PEG-b-PLA/PLA mixed micelles as potential “plastic antidotes” for a toxic peptide, melittin. PEG-b-PLA micelles have been used in a number of biomedical applications for their biodegradability and biocompatibility. Along these lines, I investigated the colloidal stability and the peptide absorption properties of PEG-b-PLA/PLA mixed micelles. A series of PEG-b-PLA block copolymer micelles and PEG-b-PLA/PLA mixed micelles were prepared, and their colloidal stability was studied. The hydrodynamic diameters of stable micelles were determined by using Dynamic …
Analysis Of Forensically Relevant Evidence Using Electrochemistry, Spectroscopy, And Mass Spectrometry Tools, Colby Edward Ott
Analysis Of Forensically Relevant Evidence Using Electrochemistry, Spectroscopy, And Mass Spectrometry Tools, Colby Edward Ott
Graduate Theses, Dissertations, and Problem Reports (ETD)
Forensic science relies on the use of multiple techniques in the assessment of evidence to increase the accuracy and reliability of the results. However, with the rapidly changing drug landscape due to the introduction of novel psychoactive substances, many traditional screening methods are no longer sensitive or selective enough for use. Additionally, many screening methods such as chemical color tests are prone to false positive and negative results and are subjective. Therefore, the goal of this dissertation was to develop a novel analytical scheme that can provide a more efficient, rapid, and sensitive method that will facilitate adoption in the …
National Chemistry Week: From Irl To The Web, Ilayda Kelley, Daniela Mesa Sanchez
National Chemistry Week: From Irl To The Web, Ilayda Kelley, Daniela Mesa Sanchez
Purdue Journal of Service-Learning and International Engagement
National Chemistry Week, an outreach program initiated by the American Chemical Society (ACS), encourages scientists to bring their love of chemistry to their community. Celebrated nationwide, ACS invites businesses, schools, and individuals to organize and participate in community events to promote the value of chemistry in everyday life. The Purdue graduate student chapter of Iota Sigma Pi, a national honor society for women in chemistry, annually organizes one such celebration. On a normal year, this event is a large logistical undertaking in which 100+ volunteers go directly to over 70 local elementary school classrooms and perform a series of activities …
Hemoglobin-Modified Core–Shell Fe3o4@Au Nanostructures For The Electrochemical Detection Of Acrylamide, Endang Saepudin, Tri Yuliani, Mochammad Arfin Fardiansyah Nasution, Munawar Khalil, Jong Wook Hong, Tribidasari Anggraningrum Ivandini
Hemoglobin-Modified Core–Shell Fe3o4@Au Nanostructures For The Electrochemical Detection Of Acrylamide, Endang Saepudin, Tri Yuliani, Mochammad Arfin Fardiansyah Nasution, Munawar Khalil, Jong Wook Hong, Tribidasari Anggraningrum Ivandini
Makara Journal of Science
In this study, electrochemical detection of acrylamide using hemoglobin (Hb)-modified core–shell Fe3O4@Au nanostructures was conducted. Fe3O4 nanoparticles (~4.9 nm) and core–shell Fe3O4@Au (5.0–6.4 nm) nanostructures were successfully synthesized by the thermal decomposition method. Electrochemical investigation revealed that the optimum amount of Hb of 2 mg/mL could be immobilized in 0.1 M acetate buffer solution (pH = 6). Moreover, the detection of acrylamide using Fe3O4@Au/Hb was evaluated by the cyclic voltammetry technique. A linear calibration curve (R2 = 0.98) in the concentration range of …
Enhanced Platinum (Ii) Drug Delivery For Anti-Cancer Therapy, Marek T. Wlodarczyk
Enhanced Platinum (Ii) Drug Delivery For Anti-Cancer Therapy, Marek T. Wlodarczyk
Dissertations, Theses, and Capstone Projects
Over the years, anti-cancer therapies have improved the overall survival rate of patients. Nevertheless, the traditional free drug therapies still suffer from side effects and systemic toxicity, resulting in low drug dosages in the clinic. This often leads to suboptimal drug concentrations reaching cancer cells, contributing to treatment failure and drug resistance. Among available anti-cancer therapies, metallodrugs are of great interest. Platinum (II)-based agents are highly potent and are used to treat many cancers, including ovarian cancer (OC). Cisplatin (cis-diaminedichloroplatinum (II)) is the first Food and Drug Administration (FDA)-approved metallodrug for treatment of solid tumors, and its mechanism …
From Small Molecules To Infinite Crystals: Probing Noncovalent Interactions Through Vibrational Spectroscopy, Sadisha Nanayakkara
From Small Molecules To Infinite Crystals: Probing Noncovalent Interactions Through Vibrational Spectroscopy, Sadisha Nanayakkara
Chemistry Theses and Dissertations
During my four years in the CATCO group supervised by Dr. Kraka, I have been exposed to various topics targeted to address a multitude of chemical problems, broadening our knowledge of modern chemistry research as we know it. In undertaking the age-old problem of understanding the nature of chemical bonding, I could modestly contribute with my work, using in-house tools based on vibrational spectroscopy.
First part of my dissertation is focused on inventing new methods and tools to efficiently investigate chemical bonding, followed by the study of some non-covalent interactions, imperative in catalysis and solid-state chemistry. This includes analysis of …
Polyesters With Main And Side Chain Phosphoesters As Structural Motives For Biocompatible Electrospun Fibres, André E. Polloni, Viviane Chiaradia, Ronaldo José F.C. Do Amaral, Cathal Kearney, Brian Gorey, Débora De Oliveira, José V. De Oliveira, Pedro H.H. De Araújo, Claudia Sayer, Andreas Heise
Polyesters With Main And Side Chain Phosphoesters As Structural Motives For Biocompatible Electrospun Fibres, André E. Polloni, Viviane Chiaradia, Ronaldo José F.C. Do Amaral, Cathal Kearney, Brian Gorey, Débora De Oliveira, José V. De Oliveira, Pedro H.H. De Araújo, Claudia Sayer, Andreas Heise
Articles
Phosphoester containing polymers are promising materials in biomedical applications due to their biocompatibility and biodegradability. Utilising thiol-ene chemistry, the synthesis of two novel structural polymer motives combining polyesters and phophoester groups was explored. The first polymer was obtained by coupling ene-functional poly(thioether-phosphoester) with thiol functional poly(pentadecalactone). While the coupling reaction was successful, yields remained low presumably due to inadequate endgroup stoichiometry. The second polymer comprised phosphoester side groups conjugated to unsaturated poly(globalide). Double bond conversions up to 84% were achieved depending of the type of phosphoester thiol and relative reactant ratios. The resulting polymers transitioned from solid semicrystaline to liquid …
Theoretical Studies And Rational Design Of Symmetrical And Unsymmetrical Squarine Dyes: An Application For Dye-Sensitized Solar Cell, Ameerul Hazeeq Hashim
Theoretical Studies And Rational Design Of Symmetrical And Unsymmetrical Squarine Dyes: An Application For Dye-Sensitized Solar Cell, Ameerul Hazeeq Hashim
Student Works (2020-2029)
Dye- sensitized solar cell (DSSC) has been explored in depth due to its effectiveness and low-cost conversion of photovoltaic energy. Squarine has unique properties because it has the capacity to increase light-harvesting energy as well as its low-cost conversion of photo-energy. Dyes that perform well, namely the symmetrical indolenine-based squaraine dye (SQM1a, VG1, and VG10) and the unsymmetrical indolenine-based squaraine dye (SQM1b, SQ01, MSQ, and VG13) were computationally studied and modified. Six density functionals were used to verify the accuracy of the simulation ranging from generalized gradient approximation (pure-GGA) density functional to the large Hartree-Fock exchange functional. Three methods were …