School of Basic Sciences

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School of
Basic Sciences
School of Basic Sciences

Dr. Akhilesh Kumar Singh

Associate Professor
  • Office: 221, SBS
  • Office: +91-674-7135114
  • aksingh@iitbbs.ac.in
  • Department of Chemistry
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Research Interests:
T1 and ParaCEST Contrast Agents for MRI; Coordination Chemistry of 3d and 4f metal complexes; Fluorogenic and Chromogenic Chemosensors for ions, small molecules and Biomolecules; Ionic Liquids in Lithium Ion Battery as Electrolyte.
Education
Degree Discipline Year School
  Postdoc Inorganic/Medicinal Chemistry 2008-2009 Ecole Normale Superiere de Lyon, France
  Postdoc Inorganic Chemistry 2007-2008 University of Goettingen, Germany
  Postdoc Inorganic Chemistry Sept 2006 – Feb 2007 Indian Institute of Technology Kanpur
  Ph. D. Chemistry 2002-2007 Indian Institute of Technology Kanpur
  M. Sc. Chemistry (INORGANIC) 1999-2001 Banaras Hindu University, Varanasi
  B. Sc. Chemistry (Hons.) 1996-1999 Banaras Hindu University, Varanasi
  1. CHEMISTRY (B. TECH. 1ST Yr.) (CY1L001);
  2. CHEMISTRY LABORATORY (B. TECH. 1ST Yr.) (CY1P001);
  3. INORGANIC CHEMISTRY: STRUCTURE, PRINCIPLE, AND REACTIVITY (M. Sc.) (CY5L002);
  4. INORGANIC CHEMISTRY LABORATORY (M. Sc.) (CY5P002);
  5. PRINCIPLES OF ORGANOMETALLIC AND BIOINORGANIC CHEMISTRY (M. Sc.) (CY5L006);
  6. ANALYTICAL CHEMISTRY (CY5L010);
  7. ADVANCED BIOINORGANIC CHEMISTRY (Ph.D./Elective) (CY7L011);
  8. PHYSICAL METHODS IN INORGANIC CHEMISTRY (Ph.D./Elective) (CY7L006);
  9. CHEMISTRY PREPARATORY

Completed:

  1. Avinash Lakma (CSIR Fellow)
  2. Sayed Muktar Hossain (Institute Fellow)
  3. Rabindra Nath Pradhan (UGC Fellow)
  4. Sagarika Mishra (Institute Fellow)
  5. Suvam Kumar Panda (Institute Fellow)

Ongoing:

  1. Noopur Deshmukh (Institute Fellow)
  2. Devi Amrita Ray (CSIR Fellow)
  3. Soumyadrashi Rath (Institute Fellow)
  4. Kushal Dubey (Institute Fellow)
  • Postdoctoral fellowship from ENS Lyon; funding from Institut National du Cancer (INCa), France.
  • Postdoctoral fellowship from Georg August University, Goettingen; funding from Deutsche Forschungsgemeinschaft (DFG), Germany.
  • International Travel grant from Department of Science & Technology, India for attending and presenting a poster in International Conference on Biological Inorganic chemistry-12 (ICBIC-12), Michigan, USA.
  • Senior Research Fellowship from Council of Scientific and Industrial Research (CSIR) in 2004
  • Junior Research Fellowship from Council of Scientific and Industrial Research (CSIR) in 2002
  • Graduate Aptitude Test for Engineering (GATE) in 2001
Title Agency Duration Amount (L)
Metal Complexes of Macrocyclic/Acyclic ligands with Pendant Arms having exchangeable protons as ParaCEST-based Contrast Agents for MRI SERB 3 Yrs. 27.2 (Approx)

Dec. 2020- Dec 2023 (Ongoing)
Magnetic Properties of

Self-Assembled Bivalent, Trivalent and Mixed Valent [2×2] Transition Metal Grids

 UGC-DAE CSR 09/2015-03/2019 2.5 + JRF (Finished)
High Dimensional

[n x n] Magnetic Grids by Polytopic Ligand Directed Self Assembly

 SERB 03/2012-02/2015 41.08 (Finished)
Functional Metalloupramolecular Arrays: High Dimension Metal Ion Grid IIT Bhubaneswar

Seed Money

Grant

 07/2010-06/2012 5.00 (Finishe
41. “Study of paraCEST response on six-coordinated Co(II) and Ni(II) complexes of a pyridine-tetraamide-based ligand”, Suvam Kumar Panda, Ankit Rai, and Akhilesh Kumar Singh*, Dalton Transactions, 2023, 52, 18407-18415.
40. “A Mono-aquated Di-pyridine-based Gd(III) Complex as T1-weighted MRI Probe with High Relaxivity and Stability”, Rabindra Nath Pradhan, Suvam Kumar Panda, Julia Torres, Carlos Kremer, Shrutika Kavali, Neelima Dubey, Suprava Naik, and Akhilesh Kumar Singh*, Inorganica Chimica Acta, 2024, 561, 121845.
39. “Computational Materials Design of Nanostructured Materials for Battery Applications”, Anil D Pathak*, M K Sridhar, Kajari Chatterjee, Henu Sharma, Akhilesh K Singh, Srija Das and Kisor Kumar Sahu, 2023, A book Chapter in Elsevier Publications, 2023, In Press.
38. “Robust Optical Detection of Ga3+ by a Rhodamine and Coumarin-based Proficient Probe: Theoretical Investigations and Biological Applications”, Suvam Kumar Panda, Ram Prasad Sahu, Chandan Goswami, and Akhilesh Kumar Singh*, ACS Applied Bio Materials, 2023, 6, 12, 5582–5595.
37. “Comparative paraCEST effect of amide and hydroxy groups in divalent cobalt and nickel complexes of tripyridine-based ligands”, Suvam Kumar Panda, Julia Torres, Carlos Kremer and Akhilesh Kumar Singh* Dalton Transactions, 2023, 52, 13594-13607.
36. “Benzothiazole-based Novel Fluorescence Probe Sensing 1,3-Diaminopropane”, Sagarika Mishra and Akhilesh Kumar Singh*, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2023, 299, 122799.
35. “Combined experimental and TD-DFT study of a highly sensitive AIE-based probe for the detection of water in organic solvents and its application in inkless writing”, Suvam Kumar Panda and Akhilesh Kumar Singh*, Journal of Molecular Liquids, 2023, 375, 121381.
34. “Application of Ionic Liquids in Rechargeable Li-Ion Batteries: A Comprehensive Guide to Design, Synthesis and Computational Aspects”, Kajari Chatterjee, M.K. Sridhar, Akhilesh Kumar Singh* and Kisor Kumar Sahu*, A Book chapter in IntechOpen, London Press, Industrial Applications of Ionic Liquids, 2022, ISBN 978-1-80356-222-3. (DOI: http://dx.doi.org/10.5772/intechopen.107938).
33. “Economically viable multiresponsive probes for fluorimetric detection of trace levels of Ga3+, Al3+ and PPi in near aqueous medium”, Sagarika Mishra, Prabhudutta Mamidi, Soma Chattopadhyay and Akhilesh Kumar Singh*, Journal of Photochemistry & Photobiology, A: Chemistry, 2022, 427, 114225.
32. “Di-pyridine Containing Macrocyclic Triamide Fe(II) and Ni(II) Complexes as ParaCEST Agents”, Rabindra N. Pradhan, Pietro Irrera, Feriel Romdhane, Suvam Kumar Panda, Dario Livio Longo, Julia Torres, Carlos Kremer, Anshul Assaiya, Janesh Kumar, and Akhilesh Kumar Singh*, Inorganic Chemistry 2022, 61, 6497-6502.
31. “Recent developments in supramolecular complexes of azabenzenes containing one to four N atoms: synthetic strategies, structures, and magnetic properties”, Juhi Singh, Suvam Kumar Panda and Akhilesh Kumar Singh*, RSC Advances,12 (29), 18945 – 18972.
30. “ESIPT and PET-based easy-to-synthesize unsymmetrical ligand in the reversible fluorimetric sensing of Al3+ and relay sensing of inorganic and biological phosphates”, Aakash Santra, Sagarika Mishra, Suvam Kumar Panda and Akhilesh Kumar Singh*, Inorganica Chimica Acta, 2022, 537, 120933.
29. “An efficient PET-based probe for detection and discrimination of Zn2+ and Cd2+ in near-aqueous media and live-cell imaging” Suvam Kumar Panda, Sagarika Mishra, Prabhudutta Mamidi, Soma Chattopadhyay and Akhilesh Kumar Singh*, Journal of Photochemistry and Photobiology A: Chemistry, 2022, 113816.
28. “Real time sensor for Fe3+, Al3+, Cu2+ & PPi through quadruple mechanistic pathways using a novel dipodal quinoline-based molecular probe”, S Mishra, AK Singh*, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2022, 120832.
1527. Sagarika Mishra and Akhilesh Kumar Singh, Optical Sensors for Water and Humidity and Their Further Applications, Coord. Chem. Rev. 2021, 445, 214063–214098.
26. Suvam Kumar Panda, Sagarika Mishra and Akhilesh Kumar Singh*, “Recent Progress in the development of MOFs-based optical sensors for Fe3+” Dalton Trans., 2021, 50, 7139-7155. (DOI: 10.1039/D1DT00353D).
25. Sayed Muktar Hossain, Gourab Kumar Dam, Sagarika Mishra and Akhilesh Kumar Singh*, “A nano-molar level fluorogenic and oxidation state-selective chromogenic dual reversible chemosensor for multiple targets, Cu2+/S2- and Fe3+/F- ions”, New J. Chem, 2020, 44, 15186 – 15194. (DOI: 10.1039/d0nj02777d)
24. Kajari Chatterjee, Anil D. Pathak, Kisor Kumar Sahu* and Akhilesh Kumar Singh*, “A new thiourea based ionic liquid as electrolyte additive to improve cell safety and enhance electrochemical performance in Lithium-Ion Batteries”, ACS Omega, 2020, 5, 16681-16689.
23. Sagarika Mishra, Sayed Muktar Hossain and Akhilesh Kumar Singh*, A hydrazide-based ditopic reversible probe for Al3+ and sequential detection of PPi, ATP and ADP in semi-aqueous medium”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2020, 240, 118600. (DOI: 10.1016/j.saa.2020.118600)
22. Kajari Chatterjee, Anil D. Pathak, Avinash Lakma, Chandra Shekhar Sharma, Kisor Kumar Sahu* and Akhilesh Kumar Singh*, “Synthesis, characterization and application of a nonflammable dicationic ionic liquid in lithium-ion battery as electrolyte additive”, Scientific Reports 2020, 10(1),9606. (DOI:10.1038/s41598-020-66341-x)
21. Sayed Muktar Hossain, Ved Prakash, Prabhudutta Mamidi, Soma Chattopadhyay and Akhilesh Kumar Singh*, “Pyrene-appended bipyridine hydrazone ligand as a turn-on sensor for Cu2+ and its bioimaging application” RSC Advances, 2020, 10, 3646-3658.
20. Rabindra Nath Pradhan, Subhayan Chakraborty, Pratibha Bharti, Janesh Kumar, Arindam Ghosh* and Akhilesh K. Singh*, “Seven coordinate Co(II) and six coordinate Ni(II) complexes of an aromatic macrocyclic triamide ligand as paraCEST agents for MRI”, Dalton Trans. 2019, 48, 8899–8910. (DOI: 10.1039/c9dt00747d)
19. Avinash Lakma, Sayed Muktar Hossain, Jan van Leusen, Paul Kögerler*, and Akhilesh Kumar Singh*, “Tetranuclear MnII, CoII, CuII and ZnII Grid Complexes of an Unsymmetrical Ditopic Ligand: Synthesis, Structure, Redox and Magnetic properties”, Dalton Trans. 2019, 48, 7766-7777. (DOI: 10.1039/C9DT01041F).
18. Rabindra Nath Pradhan, Sayed Muktar Hossain, Avinash Lakma, Dragana D. Stojkov, Tatjana Ž. Verbić, Goran Angelovski, Rosa Pujales–Paradela, Carlos Platas–Iglesias, and Akhilesh Kumar Singh*, “Water soluble Eu(III) complexes of macrocyclic triamide ligands: Structure, stability, luminescence and redox properties”, Inorganica Chimica Acta 2019, 486, 252-260.
17. Avinash Lakma, Rabindra Nath Pradhan, Sayed Muktar Hossain, Jan van Leusen Paul Kögerler and Akhilesh Kumar Singh*, “Synthesis, structure and magnetic properties of Ni(II) and Cu(II), [2×2] grid complexes of pyrimidine-based symmetric ditopic ligands” Inorganica Chimica Acta 2019, 486, 88-94.
16. Avinash Lakma, Sayed Muktar Hossain, Rabindra Nath Pradhan, and Akhilesh Kumar Singh* “Metal Directed Self-Assembly of Tetranuclear Cu(II) and Ni(II) clusters”, Journal of Chemical Sciences, 130 (7), 80.
15. Dragana D. Stojkov, Rabindra N. Pradhan, Goran Angelovski, Carlos Platas–Iglesias, Akhilesh K. Singh, Tatjana Ž. Verbić, “Protolytic equilibria and stability of a pair of novel pentaaza macrocyclic chelators”, 6th IPCA, 2017, P08.
14. Sayed Muktar Hossain, Avinash Lakma, Rabindra Nath Pradhan, Serhiy Demeshko and Akhilesh Kumar Singh*, “Valence Directed Binding Mode of [2×2] Iron Grids of an Unsymmetrical Picolinic Hydrazone based Ligand”, Dalton Trans. 2017, 46, 12612-12618.
13. Sayed Muktar Hossain, Kalpana Singh, Avinash Lakma, Rabindra Nath Pradhan, Akhilesh Kumar Singh, “A schiff base ligand of coumarin derivative as an ICT-Based fluorescence chemosensor for Al3+”, Sensors and Actuators B 2017, 239, 1109–1117.
12. Avinash Lakma, Sayed Muktar Hossain,Rabindra Nath Pradhan,Dinesh Topwal, Andrea Cornia & Akhilesh Kumar Singh, “Expansion of a Discrete [3 × 3] Mn9 Metallogrid to a µ- Carboxylato-Bridged Polymeric {Mn11}n Assembly”, Eur. J. Inorg. Chem. 2016, 2993–2999.
11. Sayed Muktar Hossain, Avinash Lakma, Rabindra Nath Pradhan, Ayon Chakraborty, Ashis Biswas and Akhilesh Kumar Singh*, “Synthesis and characterization of a novel, ditopic, reversible and highly selective, “Turn-On” fluorescent chemosensor for Al3+ ion”, RSC Adv. 2015, 5, 63338–63344.
10. Sharmila Pandey, Partha Pratim Das, Akhilesh Kumar Singh and Rabindranath Mukherjee, “Cobalt(II), nickel(II) and copper(II) complexes of a hexadentate pyridine amide ligand. Effect of donor atom (ether vs. thioether) on coordination geometry, spin-state of cobalt and MIII–MII redox potential” Dalton Trans. 2011, 40, 10758-10768.
9. J. Hasserodt, F. Touti, J. Kolanowski, A. K. Singh, R. Steinhoff, P. Maurin, L. Canaple, O. Beuf, J. Samarut “Progress in the Design of Iron (Ii)-Based Probes to Highlight Enzyme Activity in Magnetic Resonance Images” Bulletin Du Cancer 2011, 98, S71-S72.
8. Faycal Touti, Akhilesh Kumar Singh, Philippe Maurin, Laurence Canaple, Olivier Beuf, Jacques Samarut, and Jens Hasserodt “An Electroneutral Macrocyclic Iron(II) Complex That Enhances MRI Contrast in Vivo”, J. Med. Chem. 2011, 54, 4274-4278.
7. Akhilesh Kumar Singh, Jarl Ivar van der Vlugt, Serhiy Demeshko, Sebastian Dechert, and Franc Meyer, “Bis(terdentate) Pyrazole/Pyridine Ligands: Synthesis, Crystal Structures and Magnetic Properties of Bridged Binuclear and Tetranuclear Copper(II) complexes” Eur. J. Inorg. Chem. 2009, 3431-3439.
6. Akhilesh Kumar Singh, Wilson Jacob, Jean-Pierre Tuchagues, and Rabindranath Mukherjee, “A tetragonal core with asymmetric iron environments supported solely by Bis(?-OH){?-(O–H…O)} bridging and terminal Pyridine amide (N, O) coordination: A new member of the tetrairon(III) family” Eur. J. Inorg. Chem. 2008, 2820-2829.
5. Akhilesh Kumar Singh and Rabindranath Mukherjee, “Cobalt(II) and cobalt(III) complexes of thioether-containing hexadentate pyrazine amide ligands: C–S bond cleavage and cyclometallation reaction”, Dalton Trans. 2008, 260-270.
4. Akhilesh Kumar Singh and Rabindranath Mukherjee, “”Synthesis and crystal structure of a copper(II) complex of deprotonated N,N’-bis(2-pyridine-carboxamide)-2,2′-biphenyl: Comparative redox study of CuN4 pyridine amide complexes”, Inorg. Chim. Acta 2007, 360, 3456-3461.
3. Akhilesh Kumar Singh and Rabindranath Mukherjee, “Structure and Properties of Bivalent Nickel and Copper Complexes with Pyrazine-amide-thioether Coordination: Stabilization of Trivalent Nickel”, Dalton Trans. 2005, 2886-2891.
2. Akhilesh Kumar Singh and Rabindranath Mukherjee, “Bivalent and Trivalent Iron Complexes of Acyclic Hexadentate Ligands Providing Pyridyl/Pyrazine-Amide-Thioether Coordination”, Inorg. Chem. 2005, 44, 5813-5819.
1. Akhilesh Kumar Singh, V. Balamurugan and Rabindranath Mukherjee, “Synthesis and Characterization of Low-Spin and Cation Radical Complexes of Ruthenium(III) of a Tridentate Pyridine Bis-Amide Ligand”, Inorg. Chem. 2003, 42, 6497-6502.
  1. OCS-2019 (Organic Chemistry Symposium-2019, held at Hyatt Regency, Lucknow, jointly organized by Department of Chemistry, IISER Bhopal and IIT Kanpur on 14th September, 2019. Title of Invited Talk: “ParaCEST contrast agents for MRI”.
  2. YTCS-2019, (Young Talents in Chemical Sciences-2019) held at Sandy Towers, Bhubaneswar, organized by Institute of Chemical Technology, Bhubaneswar on 22nd November, 2019. Title of the Invited talk: “Application of coordination metal complexes as Magnetic resonance imaging and Fluorescence imaging”.
  3. National Bio-Organic Chemistry Conference (NBCC-2018) on 24th December 2018 at NISER Bhubaneswar. Title of the Invited Talk: “Molecular Contrast Agents for MRI”.
  4. 17th CRSI National Symposium in Chemistry February 06-08, 2015, CSIR-NCL, Pune. Title of the Poster: “Synthesis and Characterization of Highly Selective, Ditopic, “Turn-on” & Reversible Fluorescent Chemosensor for Al+3 Ion and Its Theoretical Calculations”
  5. MODERN TRENDS IN INORGANIC CHEMISTRY – XV, IIT Roorkee, Dec 13-16, 2013. Title of the Poster: “Synthesis and Characterization of 2x[2×2] Co(II) Magnetic Grid”
  6. THE 15TH ASIAN CHEMICAL CONGRESS (15ACC), Singapore, 19TH-23RD AUGUST 2013. Title of the Poster: “Electroneutral Model Complexes of Gd(III) and Fe(II) as MRI Contrast agent”
  7. 3rd Asian Conference on Coordination Chemistry, New Delhi, India, 17th – 20th October, 2011. Title of the Poster: “Design and Synthesis of Polytopic Ligands for High-Dimensional [nxn] Magnetic Grids”
  8. International Symposium on Frontiers in Inorganic Chemistry (FIC-2010) December 11-13, 2010, IACS, Kolkata. Title of the Poster: “An Iron-based Model Complex for functional in vivo Magnetic Resonance Imaging”
  9. Chemical Research Society of India-2006, IIT Mumbai . Title of the poster: “Co(II) and Co(III) Complexes of Thioether-containing Pyrazine Amide Ligands: Effect of Ligand Ring Size on Metal Oxidation State”
  10. ICBIC-12 (International Conference on Biological Inorganic Chemistry-12)-2005, University of Michigan, Michigan, An Arbor, USA. Title of the Poster: “Bivalent and Trivalent Iron Complexes of varying Nuclearity with Pyridine/Pyrazine Amide Ligands. Inorganic and Bioinorganic Perspectives”.
  11. DST Sponsored Workshop in Bioinorganic Chemistry-2005, IISC Bangalore (Oral presentation) Title of the talk: “Iron Chemistry with Peptide Ligands”
  12. Chemical Research Society of India-2005, IACS Kolkata (Poster presentation) Title of the poster: “Bivalent (Fe, Ni, Cu) and Trivalent (Fe, Ni) Complexes of Hexadentate Ligands Providing Pyridyl/Pyrazine-Amide-Thioether Coordination”
  13. Modern Trends in Inorganic Chemistry-X (2003), IIT Mumbai (Poster presentation) Title of the poster: “Synthesis and Characterization of Low-Spin and Cation Radical Complexes of Ruthenium(III) of a Tridentate Pyridine Bis-Amide Ligand”

* 23 Years of Research Experience * 15 Years of Teaching Experience at IIT BBS * Expert Committee Member for the Selection of Kendriya Vidyalaya Teacher (Chemistry) * Member of the Question Paper Setting Committee for National Level Examinations at UG/PG Level * Regular Reviewer of the International Journals (ACS/RSC/WILEY/Elsevier/Springer Nature Group)

1. “Functional Metallo supramolecular Arrays: High Dimension Metal Ion Grid” Funded by IIT Bhubaneswar. [5 Lakhs; 07/2010-06/2012]
2. “High Dimensional [n x n] Magnetic Grids by Polytopic Ligand Directed Self Assembly” Funded by SERB. [41.08 Lakhs; 03/2012-02/2015]Projects Finished
3. Magnetic Properties of Self Assembled Bivalent, Trivalent and Mixed Valent [2×2] Transition Metal Grids, UGC-DAE CSR, 09/2015-03/2019, 19.38 Lakh.
4. Metal Complexes of Macrocyclic/Acyclic ligands as T1 and ParaCEST- based Contrast Agents for MRI, SERB, CRG/2020/004334 . (Approx-30 Lakhs) Dec. 2020- Dec. 2023.

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