Pradip Kr. Dutta

Bio: Pradip Kr. Dutta is an academic researcher from Indian Institute of Science Education and Research, Kolkata. The author has contributed to research in topics: Schiff base & Diselenide. The author has an hindex of 6, co-authored 12 publications receiving 105 citations. Previous affiliations of Pradip Kr. Dutta include Indian Institute of Science.

3,4-Ethylenedioxythiophene and 3,4-Ethylenedioxyselenophene: Synthesis and Reactivity of Cα−Si Bond

Abstract: A synthetic approach to synthesize EDOT and EDOS from a common precursor 5 is reported. The method involves zirconocene dichloride mediated reaction of a common diyne 5 followed by treatment with disulfur dichloride (S2Cl2) and in situ prepared selenium dichloride (SeCl2). The higher lability of α-trimethylsilyl group in EDOS compared to EDOT is explained using DFT calculations.

Computationally designed antibody-drug conjugates self-assembled via affinity ligands.

Abstract: Antibody-drug conjugates (ADCs) combine the high specificity of antibodies with cytotoxic payloads. However, the present strategies for the synthesis of ADCs either yield unstable or heterogeneous products or involve complex processes. Here, we report a computational approach that leverages molecular docking and molecular dynamics simulations to design ADCs that self-assemble through the non-covalent binding of the antibody to a payload that we designed to act as an affinity ligand for specific conserved amino acid residues in the antibody. This method does not require modifications to the antibody structure and yields homogenous ADCs that form in less than 8 min. We show that two conjugates, which consist of hydrophilic and hydrophobic payloads conjugated to two different antibodies, retain the structure and binding properties of the antibody and its biological specificity, are stable in plasma and improve anti-tumour efficacy in mice with non-small cell lung tumour xenografts. The relative simplicity of the approach may facilitate the production of ADCs for the targeted delivery of cytotoxic payloads.

Oxidative addition of disulfide/diselenide to group 10 metal(0) and in situ functionalization to form neutral thiasalen/selenasalen group 10 metal(II) complexes.

Abstract: Three components, one pot synthesis of thiasalen/selenasalen Ni(II), Pd(II) and Pt(II) complexes, 14–19, by the oxidative addition of S–S/Se–Se bond of bis(o-formylphenyl)disulfide/-diselenide to Ni(0), Pd(0) and Pt(0) followed by in situ Schiff base formation with ethylenediamine is reported. S–S or Se–Se bonds were cleaved and coordinated to the metal center as thiolate (ArS−) or selenolate (ArSe−) while the formal oxidation state of metal centers was changed from ‘0’ to ‘+2’. The disulfide/diselenide reacted with zero-valent metals at room temperature to give only the monometallic complexes. All complexes (except Pd–thiolate complex 15) were studied by single crystal X-ray crystallography and revealed the square planar geometry around metal centers.

Lipid-based platinum compounds and nanoparticles

Abstract: The present disclosure is in relation to the field of nanotechnology and cancer therapeutics. In particular, the present disclosure relates to platinum based compounds comprising platinum moiety, linker moiety and lipid moiety and corresponding nanoparticles thereof. The disclosure further relates to synthesis of said platinum based compounds, nanoparticles and compositions comprising said platinum based compounds/nanoparticles. The disclosure also relates to methods of managing cancer by employing aforesaid carbene compounds, platinum based compounds, nanoparticles and compositions thereof.

Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure–Property Correlation

Abstract: Crystal engineering and supramolecular synthons approach are applied to synthesize a series of 2-aminothiazole (and its methyl derivatives) salts/cocrystals with various dicarboxylic acids. On the basis of combinatorial library approach, 24 new salts/cocrystals of 2-aminothiazole and its methyl derivatives with various dicarboxylic acid (aliphatic unsaturated and saturated backbone) were synthesized and characterized. All the synthesized salts were subjected to gelation test in various solvents (polar and nonpolar). Interestingly, one of the salts/cocrystals, i.e., B3A6 (5-methyl-2-aminothiazolium hydrogen decandioate) was found to be capable of immobilizing water at slightly higher minimum gelator concentration (MGC). A structure–property correlation between various cocrystals/salts based on single crystal X-structure of 11 compounds was undertaken. The gelation property of 2-aminothiazole-based gelling agent was found to be governed by the position of a methyl group on the thiazole ring, a length of the...

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

Abstract: : The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Site-selective modification strategies in antibody-drug conjugates.

Abstract: Antibody-drug conjugates (ADCs) harness the highly specific targeting capabilities of an antibody to deliver a cytotoxic payload to specific cell types. They have garnered widespread interest in drug discovery, particularly in oncology, as discrimination between healthy and malignant tissues or cells can be achieved. Nine ADCs have received approval from the US Food and Drug Administration and more than 80 others are currently undergoing clinical investigations for a range of solid tumours and haematological malignancies. Extensive research over the past decade has highlighted the critical nature of the linkage strategy adopted to attach the payload to the antibody. Whilst early generation ADCs were primarily synthesised as heterogeneous mixtures, these were found to have sub-optimal pharmacokinetics, stability, tolerability and/or efficacy. Efforts have now shifted towards generating homogeneous constructs with precise drug loading and predetermined, controlled sites of attachment. Homogeneous ADCs have repeatedly demonstrated superior overall pharmacological profiles compared to their heterogeneous counterparts. A wide range of methods have been developed in the pursuit of homogeneity, comprising chemical or enzymatic methods or a combination thereof to afford precise modification of specific amino acid or sugar residues. In this review, we discuss advances in chemical and enzymatic methods for site-specific antibody modification that result in the generation of homogeneous ADCs.

Solution-Processed Transparent Electrodes for Emerging Thin-Film Solar Cells

Abstract: Solution-processed solar cells are appealing because of the low manufacturing cost, the good compatibility with flexible substrates, and the ease of large-scale fabrication. Whereas solution-processable active materials have been widely adopted for the fabrication of organic, dye-sensitized, and perovskite solar cells, vacuum-deposited transparent conducting oxides (TCOs) such as indium tin oxide, fluorine-doped tin oxide, and aluminum-doped tin oxide are still the most frequently used transparent electrodes (TEs) for solar cells. These TCOs not only significantly increase the manufacturing cost of the device, but also are too brittle for future flexible and wearable applications. Therefore, developing solution-processed TEs for solar cells is of great interest. This paper provides a detailed discussion on the recent development of solution-processed TEs, including the chemical synthesis of the electrode materials, the solution-based technologies for the electrode fabrication, the optical and electrical properties of the solution-processed TEs, and their applications on solar cells.

Poly(3,4-ethylenedioxyselenophene) and its derivatives: novel organic electronic materials.

Abstract: ConspectusSince the discovery of high conductivity in iodine-doped polyacetylene, many interesting conducting polymers have been developed. Of these, polythiophenes have been most studied as electronic materials, with poly(3,4-ethylenedioxythiophene) (PEDOT) and the water-soluble PEDOT–PSS being the most successful commercially used conducting polymers.The polyselenophene family together with poly(3,4-ethylenedioxyselenophene) (PEDOS) and its derivatives have been shown to have slightly different properties compared to these of polythiophene and PEDOT because of their different electron donating characters, aromaticities (selenophene vs thiophene), oxidation potentials, electronegativities, and polarizabilities (Se vs S). As a result, the polyselenophenes, especially PEDOS and its derivatives, show a lower band gap and higher-lying highest occupied molecular orbital (HOMO) levels compared with those of thiophene and the PEDOT family.In an organic materials context, the PEDOS family offers some advantages ...