Chemistry Commons^™

Exploring New Poly-Anion Based Materials For Lithium – Ion Battery Cathodes, Sutapa Bhattacharya

Doctoral Dissertations

The escalating global demand for sustainable energy storage solutions has driven intensive research into novel electrode materials. Polyanion-based cathode materials have emerged as promising candidates due to their structural stability, safety, and voltage tunability enabled by the inductive effect of polyanionic groups. This research explores the synthesis, crystal structure, and electrochemical performance of new polyanion-based cathode materials featuring vanadium, molybdenum, and iron within phosphate and selenite frameworks.

Novel selenite-based materials, such as LiFe(SeO₃)₂ and Li₀.₂₅V₂O₃(SeO₃)₂, were synthesized and characterized, revealing stable electrochemical cycling associated with Fe2+/Fe3+ and V⁴⁺/V⁵⁺ transitions. Additionally, a systematic investigation was conducted on molybdenum phosphate compounds, including …

N-[3-(N-Tert-Butoxycarbonylaminooxy)Propyl]-2-[2-(3-Butynylcarbonylamino)Ethylthio]-1,3-Benzothiazole-6-Carboxamide, Gabriella G. Meisner, Nora N. Vegas, Christopher R. Shugrue

Chemistry Faculty Publications

We report the synthesis of a modified benzothiazole sulfide. This compound contains a heterocyclic core, a Boc-protected hydroxylamine, and an appended alkyne. This benzothiazole was accessed through three total steps, including an amidation reaction and two nucleophilic aromatic substitutions. The identity of the title compound was confirmed through ¹H, ¹³C, ¹H–¹H COSY, HSQC, and HMBC NMR, in addition to IR, MALDI-MS, HRMS, and HPLC.

The Forensic Implications Of Hydrochloric Acid (Hcl) Exposure On Dna Preservation In Human Teeth, Shaelyn Lee Zimmerman

Graduate Student Theses, Dissertations, & Professional Papers

Identity is a human right, and forensic anthropological methods are often aimed at returning identity to decedents. Three main pathways are used for the identification of human remains: fingerprints, dental records, and DNA analysis. Identification efforts may be hindered when perpetrators attempt to obscure the victim’s identity. In cases where corrosive substances, such as hydrochloric acid (HCl) are used, dental comparison and fingerprinting often fail and genetic analysis becomes the best chance of achieving personal identification.

Previous studies have shown teeth are an excellent source of DNA. Large, multi-rooted teeth, such as molars, are often preferred because they contain the …

31p Solution Nmr Investigation Of Abasic Dna, Clarissa R. Krimmel

Graduate Theses/Dissertations

Base excision repair (BER) mechanisms fix single base lesions in DNA, such as T:G mismatches. During the base excision repair mechanism, an abasic site (AP site) is formed as an intermediate. AP sites are unstable and highly mutagenic; they can stop DNA replication. This research investigates how the conformational properties of abasic sites in DNA affect the binding recognition of enzymes involved in DNA repair mechanisms, including BER. Three different abasic sequences are being analyzed for this research project. A second project looks at the effects of a naturally occurring purine derivative, hypoxanthine, on the DNA backbone. These hypoxanthine lesions …

Development And Evaluation Of A Gc-Msms Method For The Quantification Of Gamma Hydroxybutyrate In Hair, Jacob Robert Keller

Theses: Doctorates and Masters

Gamma (γ)-hydroxybutyrate (GHB) is an endogenous short-chain fatty acid, and is of forensic importance due to its use in drug facilitated sexual assault (DFSA). Exogenous GHB has a limited window of detection in blood (1-hour) and urine (12-hours). Testing hair allows detection of drugs months after ingestion. This thesis contains a literature review which compares published methods which determine concentration of endogenous GHB in hair to determine which procedures are suitable for experimental comparison. The aims of this thesis were to develop a GC-MS-based method for the detection of GHB, test various methods to improve extraction, determine linearity, precision, accuracy, …

Rapid Classification And Quality Assessment Of Citrus Essential Oils Via Machine-Learning-Assisted Raman Spectroscopy, Yong Xuan Hong, Jia Wei Tang, Jie Chen, Yun Yun Xie, Zhang Wen Ma, Qing Hua Liu, Liang Wang

Research outputs 2022 to 2026

Citrus essential oils (EOs) require accurate identification and assessment to ensure authenticity and consistency. However, conventional techniques such as gas chromatography (GC) and mass spectrometry (MS) are time-consuming and expensive, highlighting the need for novel analytical methods. This study proposes an approach for EOs detection using Raman spectroscopy (RS) combined with machine learning (ML) algorithms. Six citrus EOs underwent an evaporation experiment, with Raman spectra collected at five time points and GC-MS was used to analyze compositional changes at the starting and ending points of evaporation as a standard reference. Five ML algorithms were developed to identify differences among EOs …

Redox-Mediator Enhanced Electrochemiluminescence Under Non-Aqueous Conditions, Steven J. Blom, Fazeleh Mesgari, El M.S. Martin, Egan H. Doeven, David J. Hayne, Timothy U. Connell, Peter J. Barnard, Narges Saeedizadeh, Seyed Mohammad Jafar Jalali, Paul S. Francis

Research outputs 2022 to 2026

The introduction of small-molecule redox mediators into aqueous co-reactant electrochemiluminescence (ECL) systems has emerged as an effective strategy to increase signal intensity. Herein, we investigate the influence of a series of neutral iridium(iii) complexes (Ir(pmi)3, Ir(ppy)3, Ir(ppz)3 and Ir(ppy)2(acac)) as redox mediators for co-reactant ECL in acetonitrile. Using [Ru(bpy)3]²⁺ as a benchmark luminophore and tri-n-propylamine (TPrA) as a co-reactant, the redox mediators elicit similar effects in this solvent to those of their sulfonated [Ir(sppy)3]³⁻ and [Ir(sppz)3]³⁻ analogues under aqueous conditions. The Ir(ppz)3 complex was most effective; at a concentration of 100 µM it produced an 11-fold increase …