SUMAN DAS

@iitb.ac.in

Post-Doctoral Fellow and Chemistry
IIT Bombay



                    

https://researchid.co/chemrkmsuman

EDUCATION

PhD from IIT Hyderabad
M.Sc from University of Calcutta
B.Sc from University of Calcutta

RESEARCH INTERESTS

Organometallic and Catalysis

234

Scopus Publications

Scopus Publications

  • Synthesis, crystal structure, Hirshfeld surface analysis and theoretical studies of an oxime-based ligand: DNA binding and docking studies of its novel Pd(II) complex
    Nirmalya Bandyopadhyay, Naba Kr Mandal, Lucy Haque, Suman Das, Shubhamoy Chowdhury, and Jnan Prakash Naskar
    Elsevier BV


  • Tribological behavior of autocatalytic Ni-P based duplex coatings
    Palash Biswas, Suman Kalyan Das, and Prasanta Sahoo
    IOP Publishing
    Abstract The present research evaluates the tribological performance of different Ni-P based duplex autocatalytic coatings (electroless coatings). The study investigates coatings including Ni-P/Ni-W-P, Ni-P/Ni-Mo-P, and Ni-P/Ni-Cu-P, examining various factors such as heat treatment conditions, sample composition, and their influence on the coatings’ performance. The phase structure of the coatings is influenced by heat treatment parameters viz. temperature and duration as well as phosphorus content. Notably, at temperatures above 400 °C, all duplex coatings form a robust nickel phosphide phase, enhancing hardness and wear resistance which is almost double of that in as-deposited state in some cases. When subjected to a temperature of 400 °C for duration of 1 h, the Ni-P/Ni-W-P coating displays the highest microhardness (1440 HV0.1) and the lowest wear rate (10.62 × 10−5. mm3. N−1. m−1) among all the duplex coatings. In all three duplex systems, the wear typically involves a combination of abrasive and adhesive mechanisms. Among the as-deposited coatings, the Ni-P/Ni-Cu-P demonstrates higher corrosion potential (E corr −302 mV) and lower corrosion current (i corr 1.83 × 10−5 mA cm−2) which imply superior corrosion resistance compared to the other duplex coatings. In the heat-treated state, the Ni-P/Ni-Mo-P duplex coating generally exhibits better corrosion resistance when compared to the other two types of duplex coatings.


  • Efficient Hydroboration of Esters and Nitriles Using a Quinazolinone-Supported Titanium(IV) Multitasking Catalyst
    Rajrani Narvariya, Suman Das, Susmita Mandal, Archana Jain, and Tarun K. Panda
    Wiley
    AbstractWe report catalytic hydroboration of esters as well as nitriles under solvent‐free and mild conditions using single titanium(IV) metal complex, [{κ2‐C6H4C(O)N(iPr)C(N‐iPr)=N}{κ3‐(iPr)N=C(O)−C6H4−NC(NMe2)N(iPr)}TiNMe2] 1 as a sustainable, economical, and efficient pre‐catalyst. The molecular structure of the TiIV complex in the solid state reveals the unique coordination of TiIV metal with N, N, and O atoms of one quinazolinone unit via in‐situ rearrangement, while another quinazolinone moiety coordinates in bidentate fashion via both N atoms only. The TiIV complex demonstrates excellent activity as a pre‐catalyst towards the hydroboration of a wide array of esters and nitriles with pinacolborane (HBpin) to afford alkoxyboranes and diboryl amines in high yield (up to 99 %) with greater tolerance to a variety of electron‐withdrawing and electron‐donating functional groups. A most plausible mechanism of hydroboration of esters is also proposed based on kinetics and NMR studies, which suggests the formation of titanium‐hydride species as an active catalyst.

  • Dangling Water Molecules Bridge for ESIPT in Aggregated TMP: A Theoretical Study
    Lopa Paul and Suman Das
    American Chemical Society (ACS)
    We present a theoretical study on the occurrence of excited-state proton transfer in an aggregated structure of 2-(benzo[d]thiazol-2-yl)-6-methoxyphenol (TMP) exclusively in water among polar solvents, as reported in a recent experiment (Bhattacharyya, A. New J. Chem. 2019, 43, 15087). Our extensive investigation of the TMP monomer and dimer implementing density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods, in three different solvents, namely, water, methanol, and dimethyl sulfoxide (DMSO), with explicit inclusion of solvent molecules demonstrated the existence of both enol and keto forms of the TMP dimer in the excited state, but only in water; this confirmed the experimental emission spectra completely and simultaneously validated the aggregation-induced emission phenomenon. Further analysis of various parameters such as potential energy scan (PES) of the hydroxyl (O-H) bond involved in hydrogen bonding, frontier molecular orbitals (FMOs), molecular electrostatic potential (MEP), and infrared (IR) stretching frequencies of both the monomer and dimer forms of TMP in different solvents clearly indicated the geometry of the dimer, with the arrangement of the solvent molecules to be the sole reason for the excited-state charge transfer. The bridging alignment of water molecules in between the stacked units of the TMP dimer results in intermolecular interactions, ultimately leading to intermolecular proton transfer in the excited state.

  • Solvent-mediated crystallization of (TMS)<inf>2</inf>BiBr<inf>5</inf>·DMSO: a new 0D hybrid halide perovskite
    Suman S. Das, Abinash Pradhan, and Saroj L. Samal
    Royal Society of Chemistry (RSC)
    A new lead-free 0D hybrid halide perovskite containing isolated [BiBr5·DMSO]2− polyhedra was synthesized, which has an indirect band gap of 2.79 eV.

  • Metal/Non-Metal Catalyzed Activation of Organic Nitriles
    Suman Das, Jyotirmoy Maity, and Tarun K. Panda
    Wiley
    AbstractNitrile activation is a prominent topic in recent developments in chemistry, especially in organic, inorganic, biological chemistry, as well as in the natural synthesis of products and in the pharmaceutical industry. The activation of nitriles using both metal and non‐metal precursors has attracted several researchers, who are exploring newer ways to synthesize novel compounds. Nitrile activation can be achieved by combining various catalytic double hydroelementation reactions, such as hydrosilylation, hydroboration, and hydrogenation of organonitriles using silanes, pinacolborane, and other sources of hydrogen. These methodologies have garnered considerable attention since they are effective in the reduction of organonitriles, whose end products are extensively applied in synthetic organic chemistry. In this review, we summarize the development of selective hydroborylation, hydrosilylation, dihydroborysilylation, and hydrogenation of organonitriles, as well as their reaction mechanisms and the role of metal complexes in the catalytic cycles. This review article explains various synthetic methodologies applied toward the reduction of organonitriles into corresponding amines.


  • Organocatalytic Asymmetric Reaction between α-Cyano Enones and Dioxindoles: Synthesis of Dihydrofuran-Spirooxindoles
    Subhankar Biswas, Megha Balha, Suman Das, and Subhas Chandra Pan
    Wiley
    AbstractAn organocatalytic enantioselective synthesis of dihydrofuran‐spirooxindoles has been developed. Dioxindoles and trans‐α‐cyano‐α,β‐unsaturated ketones were engaged as the reaction partners in this method. The desired products were obtained via bifunctional squaramide catalyzed Michael reaction followed by Pinner reaction and isomerization.

  • A highly efficient Ti-catalyst for the deoxygenative reduction of esters under ambient conditions: experimental and mechanistic insights from DFT studies
    Jayeeta Bhattacharjee, Parveen Rawal, Suman Das, Adimulam Harinath, Puneet Gupta, and Tarun K. Panda
    Royal Society of Chemistry (RSC)
    A combined experimental &amp; DFT study of the catalytic deoxygenative reduction of organic esters with HBpin using a TiIV alkyl complex as a competent catalyst to afford corresponding boryl ether at room temperature under neat conditions is reported.



  • Indium promoted C(sp<sup>3</sup>)-P bond formation by the Domino A<sup>3</sup>-coupling method-a combined experimental and computational study
    Suman Das, Parveen Rawal, Jayeeta Bhattacharjee, Ajitrao Devadkar, Kuntal Pal, Puneet Gupta, and Tarun K. Panda
    Royal Society of Chemistry (RSC)
    An efficient catalytic process for the synthesis of α-aminophosphonates is developed by a one-pot three-component reaction in the presence of In complexes at room temperature. DFT based mechanistic studies of the catalytic reactions are reported.


  • A Spectroscopic Approach towards the Comparative Binding Studies of the Antioxidizing Flavonol Myricetin with Various Single-Stranded RNA
    Susmita Chowdhury, Sutanwi Bhuiya, Lucy Haque, and Suman Das
    Wiley
    AbstractRNA based drugs have come to limelight owing to the major role played by RNA in the development of many viral diseases. Molecules which can effectively bind with RNA can induce morphological changes in RNA which further modifies its biological properties. Flavonoids are phytochemicals having a wide range of pharmacological properties and are known to interact with DNA. We have used RNA instead of DNA and aimed at establishing a comparison of binding of three single stranded forms of RNA homopolymers namely polyriboadenylic acid [poly(rA)], polyuridylic acid [poly(rU)] and polycytidylic acid [poly(rC)] with the flavonol myricetin (herein after MTN), our probe of interest. A series of spectroscopic experiments like spectrophotometry, spectrofluorimetry and circular dichroism studies indicate a stronger binding of myricetin with poly(rA) followed by poly(rU) and finally poly(rC). This was confirmed from the construction of Scatchard plot using the Mc‐Ghee von Hippel equation for cooperative binding. The magnitude of the order of binding was 103 M−1 at 25 °C in all the cases. It is to be noted that most eukaryotic mRNAs have a poly adenylate tail. Binding of MTN to poly(rA) in virulent cells could effectively alter the encoded protein synthesis and reduce chances of occurrence of the disease.

  • On the Biophysical Investigation of Sulfamethazine-Hemoglobin Binding and the Resulting Adverse Effects of Antibiotics
    Aben Ovung, A. Mavani, Sabyasachi Chatterjee, Abhi Das, Gopinatha Suresh Kumar, Sutanwi Bhuiya, Suman Das, and Jhimli Bhattacharyya
    Wiley
    AbstractBinding of the well‐known antibiotic drug sulfamethazine (SMZ) with tetrameric heme protein, hemoglobin (Hb), was studied using spectroscopic, calorimetric and molecular docking techniques. SMZ belongs to the sulfonamide group of medicines with versatile applications. Nevertheless, it can be biologically harmful if used in excess or in an uncontrolled manner. The binding induced absorbance and fluorescence data indicated a ground state complex formation between the drug and the protein with 1 : 1 stoichiometry. Drug induced conformational perturbation of Hb structure was investigated with circular dichroism and synchronous fluorescence. The binding constant obtained from spectroscopy was in the order of 104 M−1which was further confirmed by isothermal titration calorimetry. This may be higher compared to that of the oxygenation in Hb; thus SMZ binding can subsequently interrupt the oxygen transporting property of this iron protein. FRET analysis showed that the distance between SMZ and Hb is ∼3.75 nm, which is suitable for an effective binding. The MD simulation substantiated the mode and site of binding by confirming the factors contributing to the binding energy. It shows that SMZ binds to the central cavity close to subunit α 1‐helix of Hb. Residues around the drug forms hydrogen bonding and increases hydrophobicity to stabilize the SMZ−Hb complex. The binding interaction appears to be dominated by H‐bond formation and electrostatic and hydrophobic forces. This is in agreement with the thermodynamic analyses and contributes to the binding energy.





  • Hydrazone derivative of 2-hydroxyquinoline-3-carbaldehyde: An efficient anionic and cationic sensor
    Nilanjan Chakraborty, Arijit Chakraborty, and Suman Das
    Canadian Science Publishing
    A hydrazone (1) based on 2-hydroxyquinoline-3-carbaldehyde was synthesized and its anion and cation detection ability were studied. It could detect both fluoride in acetonitrile selectively among anions and copper ions in semiaqueous medium among cations. The addition of fluoride ion to the acetonitrile solution of the receptor produced a sharp colour change from light yellow to bluish green. The corresponding UV–vis measurements showed a red shift of the band of receptor 1 for fluoride and a blue shift of the band for copper ions. The fluorescence intensity of the receptor 1 got quenched with both fluoride and copper ions. The detection limits for both the ions are in order of micromolar level. The practical applications of fluoride detection were extended to oral care products.

  • Effects of processing parameters on the mechanical properties of CMSX-4® additively fabricated through scanning laser epitaxy (SLE)


  • Characterization of MAR-M247 deposits fabricated through scanning laser epitaxy (SLE)


  • Computational modeling and experimental validation of melting and solidification in equiaxed superalloys processed through scanning laser epitaxy


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