Chemistry Dissertation Titles

Info: 756 words (1 pages) Chemistry Dissertation Titles
Published: 26th June 2025 in Chemistry Dissertation Titles

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Introduction

This document of PhD dissertation topics offers a few possible avenues to investigative research in medicinal chemistry and environmental analytical chemistry. In medicinal chemistry, the topics are framed on aspects of optimising pyridine drug molecules using structure-activity studies, profiling metabolites and developing usable forms. In the environmental area, the topics are framed on aspects of developing new technologies for trace detection of steroid hormones in water along with advances in extraction methods, biosensors, and environmental legislation in the EU.

Medicinal Chemistry and Drug Discovery Topics

1. Trends and Therapeutic Concentration of Pyridine Drug Approvals: A Ten-Year Study (2014–2025)

Focus: To perform a detailed quantitative analysis of pyridine-containing drugs that have been approved by the FDA, to derive trends in therapeutic classes, biological targets, and number of approvals by year. This will be useful in evaluating how pyridine has been incorporated in recent drug development and for forecasting future applications in drug discovery.

2. Structure–Activity Relationships (SAR): Contribution of Functional Groups in Pyridine Drugs

Focus: To identify specific functional groups (e.g., -OH, -NH₂, sulfonamides, halogens) and heterocycles fused to pyridine that can affect pharmacological efficacies and metabolic stability of pyridine drugs. The goal will be to provide medicinal chemists with rationale for the lead optimisation necessary to improve drug-like properties.

3. Metabolites and Biotransformation: Role of Enzymes in Pyridine Drug Metabolism

Focus: To evaluate the metabolism of pyridine-containing drugs and the primary phase I enzymes (CYP3A4, carboxylesterase, etc.) involved in pyridine drug metabolism. The goal will be to assist in rational design with an objective of safety and metabolic stability through understanding how enzymes interact with drug candidates.

4. Physicochemical and Pharmacokinetic Optimisation: Pyridine-based Drug Formulation

Focus: To describe the links between the pyridine chemical structure and dosage form type (e.g., tablets versus injections) and route of administration. The dissertation will establish how the chemical properties of pyridine influence the design of formulations and bioavailability.

5. Pyridine as a Bioisosteric Replacement for Drug Design: Effect on Target Selectivity and Water Solubility

Focus: To describe pyridine’s bioisosteric role with benzene, amines, and other heterocycles to improve solubility for drugs, target affinity, and pharmacokinetic profiles. The study will develop a rationale for choosing pyridine replacements as part of best practice rational drug design approaches.

Environmental Analytical Chemistry Topics

6. Advanced SPE techniques for steroid hormone detection: Tailored sorbents for environmental water analysis

Focus: To develop and discover new SPE sorbents (surface-imprinted molecularly imprinted polymers (MIPs) and magnetic nanoparticles) for establishing the rapid environmental water pre-concentration of steroid hormones. Optimising the chemistry of the sorbent, the analyte-bonding and elution to limit matrix interferences and boost sensitivities.

7. Green extraction methods for hormone monitoring: eco-friendly strategies for complex water matrices

Focus: Investigating and validating “green” microextraction procedures (e.g., SPME, LPME using DESs or ILs, IA-SPME). Using the analysis of oestrogens and progestogens as a phase detection strategy for analysing the quantitative sustainability criteria to discover if it can be used in field methodologies and bulk quantity environmental monitoring.

8. Electrochemical biosensors and bioassays: Rapid on-site detection of oestrogens and progestogens

Focus: Developing a hybrid detection platform that integrates electrochemical biosensors with in vitro bioassays to provide fast, field-deployable qualitative and quantitative measures of total endocrine disrupting activity, including known and unknown hormone derivatives. This project examines the intersection between analytic chemistry and toxicological bioassessment.

9. Transformation products of sex hormones: Analytical and bioanalytical approaches in wastewater treatment

Objective: To identify and characterise transformation products of hormones (oestrogens and progestogens) with bioanalytical assays (for example, AOP, biological degradation) via LC-MS/MS. Quantification of parent compounds and an assessment for biological activity and effects of byproducts will also be undertaken.

10. Integrated monitoring protocols for endocrine disruptors: Toward standardisation under EU water directives

Objective: To develop an optimised and standardised protocol for simultaneous measurement of priority oestrogens (E1, E2, EE2) and progestogens in water by using combined analytical (chromatographic) and biological (biodegradation, toxicity) approaches to environmental waters. This study will satisfy EU environmental quality directives and regulatory monitoring considerations.

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References:

1. Dwivedi, A. R., Jaiswal, S., Kukkar, D., Kumar, R., Singh, T. G., Singh, M. P., … & Kumar, B. (2025). A decade of pyridine-containing heterocycles in US FDA approved drugs: a medicinal chemistry-based analysis. RSC Medicinal Chemistry.

2. Sun, Z., Sun, S., Li, X., Li, X., Li, C., Tang, L., Cheng, M., & Liu, Y. (2025). Discovery of new imidazole[1,2 a]pyridine derivatives as CDK9 inhibitors: Design, synthesis and biological evaluation. RSC Medicinal Chemistry. https://doi.org/10.1039/D4MD00380A

3. Hasan, M.B., Rahman, M.J., Das, R. et al. Physicochemical, biological, and toxicological studies of pyridine and its derivatives: an in-silico approach. Discov. Chem. 2, 70 (2025). https://doi.org/10.1007/s44371-025-00147-6

4. Lalik, A., Szreder, J., Grymel, M., Żabczyński, S., Bajkacz, S., Pielok, M., Cieślik, M., Kicińska, A., & Wawrzkiewicz-Jałowiecka, A. (2025). Estrogens and Progestogens in Environmental Waters: Analytical Chemistry and Biosensing Perspectives on Methods, Challenges, and Trends. Analytical chemistry, 97(16), 8654–8683. https://doi.org/10.1021/acs.analchem.4c06796

5. Mohebbi, S., Khatibi, A., Balarak, D. et al. Endocrine disruptor (17 β-estradiol) removal by poly pyrrole-based molecularly imprinted polymer: kinetic, isotherms and thermodynamic studies. Appl Water Sci 15, 43 (2025). https://doi.org/10.1007/s13201-025-02373-w

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