Exploring application of dendrimer in energy storage, uranyl extraction and drug delivery through molecular modelling / (Record no. 433449)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 03540nam a22003017a 4500 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 250417b |||||||| |||| 00| 0 eng d |
| 041 ## - LANGUAGE CODE | |
| Language code of text/sound track or separate title | en |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 541.28 |
| Item number | MAI |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Maity, Tarun |
| 245 ## - TITLE STATEMENT | |
| Title | Exploring application of dendrimer in energy storage, uranyl extraction and drug delivery through molecular modelling / |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) | |
| Place of publication, distribution, etc | Bangalore : |
| Name of publisher, distributor, etc | Indian Institute of Science, |
| Date of publication, distribution, etc | 2024. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | - |
| Other physical details | col. ill. |
| Accompanying material | e-Thesis |
| Size of unit | 31.36 Mb |
| 500 ## - GENERAL NOTE | |
| General note | Includes bibliographical references |
| 502 ## - DISSERTATION NOTE | |
| Dissertation note | PhD;2024;Physics |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc | This thesis explores the potential applications of poly(amidoamine) (PAMAM) dendrimers, a class of highly branched polymers, using atomistic molecular dynamics simulations. We investigate the use of PAMAM dendrimers in three key areas: enhancing energy storage, environmental purification, and targeted drug delivery. The first part of the thesis focuses on how PAMAM dendrimers enhance the energy density of electric double-layer capacitors (EDLCs), also known as supercapacitors. We investigate the potential of PAMAM dendrimers as electrolytes and electrode coating materials in graphene-based supercapacitors. Our findings suggest that the presence of the dendrimer in the electrodes and the electrolyte significantly increases the capacitance, attributed to the enhanced electrostatic screening and reorganization of the double-layer structure. The second part of the thesis explores the use of PAMAM dendrimers for the adsorption and removal of uranyl ions from aqueous solutions. The study reveals that PAMAM dendrimers exhibit a high adsorption capacity for uranyl ions, particularly in acidic solutions. This property is leveraged for the remediation of uranium contamination, a significant environmental and health concern. To further enhance the removal efficiency and improve the stability of the adsorbent, we grafted the dendrimer with CNT and graphene. We found CNT-PAMAM adsorbed more uranyl compared to graphene-PAMAM due to its curvature and more accessible surface area. Finally, we investigate the potential use of galactose functionalized PAMAM dendrimers in enhancing the target specificity of small interfering RNA (siRNA) therapeutics. Our simulations provide atomistic insights into the siRNA/galactose-dendrimer complex, revealing a higher binding affinity and thermodynamic stability at physiological pH. In addition to these specific applications, we explore the potential of machine learning techniques to predict dendrimer cytotoxicity. By analyzing a curated data set of dendrimers and their corresponding toxicity levels, we develop a machine-learning model that can accurately estimate dendrimer cytotoxicity based on their physiochemical features. This approach offers a rapid, cost-effective, and ethically sound alternative to traditional toxicity assessment methods, accelerating the design and optimization of dendrimers for safe and effective therapeutic applications. This thesis underscores the versatility of PAMAM dendrimers and their potential in advancing the fields of energy storage, environmental remediation, and gene delivery. |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Computational Physics |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Molecular dynamics |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Dendrimer |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Supercapacitor |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Drug Delivery |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Machine Learning |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | PAMAM |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Electric double-layer capacitors |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Poly(amidoamine) |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Advised by Maiti, Prabal K |
| 856 ## - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | https://etd.iisc.ac.in/handle/2005/6872 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | Thesis |
No items available.
