Pradeep Kumar

Verified email at

ASSOCIATE PROFESSOR, Department Of Chemical Engineering
Indian institute of technology banaras hindu university



B.Tech, M.Tech, Ph.D (Chemical Engineering)


Catalytic Thermal Treatment , Coagulation- Flocculation, Adsorption, Fenton Oxidation


Scopus Publications

Scopus Publications

  • In silico design, synthesis and anti-HIV activity of quinoline derivatives as non-nucleoside reverse transcriptase inhibitors (NNRTIs)
    Vishal K. Singh, Richa Mishra, Priyanka Kumari, Anup Som, Aditya K. Yadav, Nand K. Ram, Pradeep Kumar, Dominique Schols, and Ramendra K. Singh

    Computational Biology and Chemistry, ISSN: 14769271, Published: June 2022 Elsevier BV

  • Use of essential oils and phytochemicals against the mycotoxins producing fungi for shelf-life enhancement and food preservation
    Pradeep Kumar, Dipendra Kumar Mahato, Akansha Gupta, Shikha Pandhi, Sadhna Mishra, Sreejani Barua, Vidhi Tyagi, Arvind Kumar, Manoj Kumar, and Madhu Kamle

    International Journal of Food Science and Technology, ISSN: 09505423, eISSN: 13652621, Pages: 2171-2184, Published: April 2022 Wiley

  • OH + HCl Reaction on the Surface of Ice: An Ab Initio Molecular Dynamics Study
    Amit Kumar and Pradeep Kumar

    Journal of Physical Chemistry A, ISSN: 10895639, eISSN: 15205215, Volume: 126, Pages: 1504-1510, Published: 10 March 2022 American Chemical Society (ACS)
    We have investigated the OH + HCl reaction on the surface of ice using Born-Oppenheimer molecular dynamics (BOMD) simulation. The present work revealed that the OH + HCl reaction becomes ∼1 order of magnitude faster on the ice surface compared to the bare reaction. The BOMD simulation also indicates that the Cl radical formed on the ice surface through the title reaction can form two hydrogen bonds at a time with the water molecules present on the ice surface; hence, the Cl radical cannot escape from the ice surface easily.

  • Trichothecenes in food and feed: Occurrence, impact on human health and their detection and management strategies
    Dipendra Kumar Mahato, Shikha Pandhi, Madhu Kamle, Akansha Gupta, Bharti Sharma, Brajesh Kumar Panda, Shubhangi Srivastava, Manoj Kumar, Raman Selvakumar, Arun Kumar Pandey, Priyanka Suthar, Shalini Arora, Arvind Kumar, Shirani Gamlath, Ajay Bharti, and Pradeep Kumar

    Toxicon, ISSN: 00410101, eISSN: 18793150, Volume: 208, Pages: 62-77, Published: March 2022 Elsevier BV

  • Neem oil and its nanoemulsion in sustainable food preservation and packaging: Current status and future prospects
    Santosh Kumar, Namrata Singh, L. Susmita Devi, Shrawan Kumar, Madhu Kamle, Pradeep Kumar, and Avik Mukherjee

    Journal of Agriculture and Food Research, eISSN: 26661543, Published: March 2022 Elsevier BV

  • Nitrous acid (HONO) as a sink of the simplest Criegee intermediate in the atmosphere
    Amit Kumar, Subhasish Mallick, and Pradeep Kumar

    Physical Chemistry Chemical Physics, ISSN: 14639076, Pages: 7458-7465, Published: 23 February 2022 Royal Society of Chemistry (RSC)
    In the present work, we have investigated the reaction of nitrous acid with the simplest Criegee intermediate using chemical kinetics and quantum chemical calculations.

  • Synthesis, characterization and corrosion inhibition potential of oxadiazole derivatives for mild steel in 1M HCl: Electrochemical and computational studies
    Vikas Kalia, Pradeep Kumar, Suresh Kumar, Madhusudan Goyal, Priti Pahuja, Gaurav Jhaa, Suman Lata, Hariom Dahiya, Sudershan Kumar, Anita Kumari, and Chandrabhan Verma

    Journal of Molecular Liquids, ISSN: 01677322, Volume: 348, Published: 15 February 2022 Elsevier BV

  • Ethnopharmacological properties and Nutraceutical potential of Moringa oleifera
    Dipendra Kumar Mahato, Raveena Kargwal, Madhu Kamle, Bharti Sharma, Shikha Pandhi, Sadhna Mishra, Akansha Gupta, M.M. Chayan Mahmud, Maneesh Kumar Gupta, Lal Bihari Singha, and Pradeep Kumar

    Phytomedicine Plus, eISSN: 26670313, Published: February 2022 Elsevier BV

  • Citrinin Mycotoxin Contamination in Food and Feed: Impact on Agriculture, Human Health, and Detection and Management Strategies
    Madhu Kamle, Dipendra Kumar Mahato, Akansha Gupta, Shikha Pandhi, Nitya Sharma, Bharti Sharma, Sadhna Mishra, Shalini Arora, Raman Selvakumar, Vivek Saurabh, Jyoti Dhakane-Lad, Manoj Kumar, Sreejani Barua, Arvind Kumar, Shirani Gamlath, and Pradeep Kumar

    Toxins, eISSN: 20726651, Published: February 2022 MDPI AG
    Citrinin (CIT) is a mycotoxin produced by different species of Aspergillus, Penicillium, and Monascus. CIT can contaminate a wide range of foods and feeds at any time during the pre-harvest, harvest, and post-harvest stages. CIT can be usually found in beans, fruits, fruit and vegetable juices, herbs and spices, and dairy products, as well as red mold rice. CIT exerts nephrotoxic and genotoxic effects in both humans and animals, thereby raising concerns regarding the consumption of CIT-contaminated food and feed. Hence, to minimize the risk of CIT contamination in food and feed, understanding the incidence of CIT occurrence, its sources, and biosynthetic pathways could assist in the effective implementation of detection and mitigation measures. Therefore, this review aims to shed light on sources of CIT, its prevalence in food and feed, biosynthetic pathways, and genes involved, with a major focus on detection and management strategies to ensure the safety and security of food and feed.

  • Docking, ADMET prediction, DFT analysis, synthesis, cytotoxicity, antibacterial screening and QSAR analysis of diarylpyrimidine derivatives
    Vishal K Singh, Himani Chaurasia, Richa Mishra, Ritika Srivastava, Farha Naaz, Pradeep Kumar, and Ramendra K Singh

    Journal of Molecular Structure, ISSN: 00222860, Volume: 1247, Published: 5 January 2022 Elsevier BV

  • External electric field to control the Diels-Alder reactions of endohedral fullerene
    Priyanka Yadav, Philips Kumar Rai, Subhasish Mallick, and Pradeep Kumar

    Physical Chemistry Chemical Physics, ISSN: 14639076, Published: 2022 Royal Society of Chemistry (RSC)
    The present work investigates the role of External Electric Field (EEF) on a Diels–Alder reaction of endohedral fullerene by means of chemical kinetics and quantum chemical calculations.

  • Therapeutic Applications of Self-assembled Indole-3-butanoyl-polyethylenimine Nanostructures
    Reena Singh, Diksha Jha, Uma Dhawan, Hemant K. Gautam, and Pradeep Kumar

    Indian Journal of Microbiology, ISSN: 00468991, eISSN: 09737715, Published: 2022 Springer Science and Business Media LLC

  • An injectable self-assembling hydrogel based on RGD peptidomimetic β-sheets as multifunctional biomaterials
    Zeba Ahmadi, Santosh Yadav, Aditya Kumar Kar, Diksha Jha, Hemant Kumar Gautam, Satyakam Patnaik, Pradeep Kumar, and Ashwani Kumar Sharma

    Materials Science and Engineering C, ISSN: 09284931, eISSN: 18730191, Published: 2022 Elsevier BV

  • Curcuma Turmeric Oil Enhanced Anti-Dermatophytic Drug Activity Against Candida albicans and Trichophyton mentagrophytes
    Mahendra Singh, Alka, Kyung Eun Lee, Pradeep Kumar, and Sang Gu Kang

    Current Drug Delivery, ISSN: 15672018, eISSN: 18755704, Pages: 1494-1504, Published: December2021 Bentham Science Publishers Ltd.
    Background: As per the World Health Organization survey, it has been found that dermatophyte infections are affecting around one-fourth of the world population. The dermatophytes are commonly keratinophilic in nature which can multiply and invade the keratinized tissues and affect various parts of the human body like nails, skin, and hair. The luliconazole is an antifungal drug utilized against dermatophytes which causes athlete's foot and ringworm etc. fungal infections of the skin or nails caused by Candida albicans (C.P. Robin) Berkhout and Trichophyton mentagrophytes (Robin) Blanchard. Objective: The study aimed to develop the luliconazole topical cream with turmeric oil and penetration enhancer to improve permeability and enhance antifungal activity. Methods: To prepare the luliconazole topical cream, various compositions of formulation were melted and mixed with varying concentrations of turmeric oil. The oil, drug, and aqueous phases were prepared separately and mixed stepwise in a vessel under continuous stirring at control conditions. Result: The optimized LC2 cream was showed pH 6.45±0.12, which is considered suitable to avoid irritation upon topical application. The LC2 cream formulation also showed significantly (p<0.05) more permeability with a permeation flux (0.347 mg/cm2/h) against an aqueous suspension of the drug (0.215 mg/cm2/h). The LC2 cream was followed the Higuchi model and showed the drug release from cream via a diffusion mechanism with super case II transport mechanism. Furthermore, the antifungal activity of optimized cream was found good than marketed cream. Conclusion: It is concluded that the prepared luliconazole cream can be an effective anti-fungal treatment with enhanced drug delivery into the skin to treat athlete's foot and ringworm etc. caused by dermatophytes namely C. albicans and Trichophyton spp.

  • Corrosion inhibitive properties of 5-(4-aminophenyl)-1,3,4-oxadiazole-2-thiol and 5-(4-methylphenyl)-1,3,4-oxadiazole-2-thiol on mild steel in 1.0 M HCl Solution
    Vikas Kalia, Pradeep Kumar, Suresh Kumar, and Hariom Dahiya

    Asian Journal of Chemistry, ISSN: 09707077, Pages: 2953-2964, Published: December 2021 Asian Journal of Chemistry
    The corrosion inhibition consequence of 5-(4-aminophenyl)-1,3,4-oxadiazole-2-thiol (APOT) and 5-(4-methylphenyl)-1,3,4-oxadiazole-2-thiol (MPOT) were accomplished by employing weight loss measurement, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization measurement and scanning electron microscope (SEM). An impact of immersion time 12.0 h and different temperatures (298, 308 and 318 K) with solution of 1.0 M HCl, which include various concentration of inhibitor at the corrosion of mild steel were designed. Weight loss measurement showed that with enhancing the concentration of these studied inhibitors the percentage inhibition efficiency (IE%) enhances, but corrosion rate (CR) diminishes while reverse condition in case of temperatures change. The electrochemical impedance spectroscopy examine pointed out that the charge transfer resistance (Rct) values enhances and consequently the double layer capacitance (Cdl) values diminishes with rising each inhibitor concentration in 1.0 M HCl and also there is a formation of adsorption coating at the metal surface. Polarization measurement showed that both APOT and MPOT perform as mixed type corrosion inhibitors. Furthermore, the adsorption behaviour on surface of mild steel for each studied inhibitor results the Langmuir adsorption isotherm. Surface conduct of mild steel also designed through the SEM and energy dispersive X-ray (EDX) analysis and concludes that there is evolution of inhibitive film of APOT and MPOT on the surface of mild steel.

  • Can water molecules bind by the oxygen oxygen covalent bond? A confinement induced bonding
    Amit Kumar and Pradeep Kumar

    Computational and Theoretical Chemistry, ISSN: 2210271X, Volume: 1206, Published: December 2021 Elsevier BV

  • Bacillus-based nano-bioformulations for phytopathogens and insect–pest management
    Pradeep Kumar, Shikha Pandhi, Dipendra Kumar Mahato, Madhu Kamle, and Archana Mishra

    Egyptian Journal of Biological Pest Control, ISSN: 11101768, eISSN: 25369342, Published: December 2021 Springer Science and Business Media LLC
    Abstract Background Recent concerns linked with the application of chemical pesticides and the increasing necessity of low inputs sustainable agriculture have put the use of microbial biocontrol agents and bio-pesticides to the forefront for their application against plant pathogens and insect–pest management. Results This review tended to scrutinize the prospects of microbial biocontrol agents and microbes-based nano-formulations against plant diseases and for pest management with emphasis on bacteria-based nanoparticles, especially derived from Bacillus species. It also tended to discuss the probable mechanism of action and effect on plant growth along with its prospects in a brief manner. Conclusion The use of microbial biocontrol agents offers effective, eco-friendly, and long-lasting management of plant diseases. The employment of nanotechnology in the field of biopesticides has emerged as a promising solution. Nano-biopesticides in the form of biologically derived active pesticides or compounds integrated as nanoparticles and integrated into a suitable polymer have application in insect–pest management.

  • Effect of microsolvation on the mode specificity of the OH(H<inf>2</inf>O) + HCl reaction
    Subhasish Mallick and Pradeep Kumar

    Physical Chemistry Chemical Physics, ISSN: 14639076, Pages: 25246-25255, Published: 28 November 2021 Royal Society of Chemistry (RSC)
    The present study investigates the mode specificity in the microsolvated OH˙(H2O) + HCl reaction using on-the-fly direct dynamics simulation.

  • Metal-free, Tf<inf>2</inf>NH-catalyzed 1, 6-conjugate addition of imidazopyridine to para-quinone methides: Easy access to C3-functionalized triarylmethane imidazopyridine
    Nilesh S. Khonde, Madhukar S. Said, Jagjivan K. Sabane, Jayant M. Gajbhiye, and Pradeep Kumar

    Tetrahedron, ISSN: 00404020, eISSN: 14645416, Volume: 101, Published: 19 November 2021 Elsevier BV

  • Amphipathic methoxypolyethylene glycol-curcumin conjugate as effective drug delivery system useful for colonic diseases
    Preeti Goyal, Pradeep Kumar, and Alka Gupta

    Colloid and Polymer Science, ISSN: 0303402X, eISSN: 14351536, Volume: 299, Pages: 1757-1766, Published: November 2021 Springer Science and Business Media LLC
    Recently, supramolecular self-assembled core–shell nanostructures have emerged as advanced and notable drug delivery vehicles in biomedical arena for human health. Here, we have modified curcumin via Michael addition reaction with 3-mercaptopropionic acid followed by preparation of an amphiphatic conjugate employing hydrophilic polyethylene glycol monomethyl ether (mPEG). The synthesized compounds, curcumin-S-propionic acid (Cur-S) and curcumin-S-propionoyl-mPEG (Cur-S-mPEG), were spectroscopically characterized. Self-assembly of Cur-S-mPEG into micellar nanostructures was monitored by dynamic light scattering, which revealed the size of these nanostructures in the range of ~ 104 nm. Transmission electron microscopic analysis showed the size of these nanostructures ~ 26 nm. These micelles with hydrophobic pockets were then demonstrated to entrap hydrophobic therapeutics, ornidazole (Oz) and sulfasalazine (Sz), successfully with high efficiency. Drug-loaded formulations, Cur-S-mPEG(Oz) and Cur-S-mPEG(Sz), showed sustained release of drugs over a longer duration, particularly, a higher release at neutral pH 7.2 displaying the usefulness of the nanocarrier for colonic delivery. MTT assay performed on HEK 293 and Hep G2 cells displayed the non-toxic nature of the nanocarrier on normal cells (HEK 293 cells) while toxic on cancer cells (Hep G2 cells).

  • Template directed synthesis and characterization of macrocyclic complexes: In-silico docking and antimicrobial studies
    J. Kumar, P. Kumar, S. Kumar, R. Langyan, and R. Kumar

    Rasayan Journal of Chemistry, ISSN: 09741496, eISSN: 09760083, Pages: 2567-2576, Published: October-December 2021 Rasayan Journal of Chemistry
    A new series of macrocyclic complexes have been synthesized by template condensation between 3,4- diaminotoluene and acetylacetone in the presence of trivalent metal ions to form macrocyclic complexes having four coordination sites. Different spectroscopic and physicochemical techniques were used to establish the geometry and structural framework of the synthesized macrocyclic complexes. Further, these complexes were also investigated for their antibacterial, antifungal and antioxidant activities. Removal of methylene blue dye from the aqueous by iron complexes was also investigated.

  • Synthesis and Characterization of Nanoselenium: A Step-by-Step Guide for Undergraduate Students
    Gagan Dhawan, Indu Singh, Uma Dhawan, and Pradeep Kumar

    Journal of Chemical Education, ISSN: 00219584, eISSN: 19381328, Pages: 2982-2989, Published: 14 September 2021 American Chemical Society (ACS)

  • Oxidation of HOSO by Cl: A new source of SO<inf>2</inf>in the atmosphere?
    Amit Kumar, Subhasish Mallick, and Pradeep Kumar

    Physical Chemistry Chemical Physics, ISSN: 14639076, Pages: 18707-18711, Published: 14 September 2021 Royal Society of Chemistry (RSC)
    In the present work, we have studied the formation of SO2 in the atmosphere from the oxidation of HOSO˙ by Cl˙ at the CCSD(T)/aug-cc-pV(+d)TZ//MP2/aug-cc-pV(+d)TZ level of theory.

  • Disaccharide-polyethylenimine organic nanoparticles as non-toxic in vitro gene transporters and their anticancer potential
    Reena Singh and Pradeep Kumar

    Bioorganic Chemistry, ISSN: 00452068, eISSN: 10902120, Volume: 112, Published: July 2021 Elsevier BV
    Polyethylenimines (PEIs) have been shown as efficient gene delivery vectors due to their unique properties, however, toxicity as well as non-specific interactions with the tissues/cells because of high charge density have hampered their use in clinical applications. To counter these concerns, here, we have prepared disachharide-PEI organic nanoparticles by mixing PEIs with non-reducing disaccharides, i.e. trehalose (TPONs) and sucrose (SPONs), under mild conditions. The fabricated nanoparticles were complexed with pDNA and size of these complexes was found in the range of ~130-162 nm with zeta potential ~ +8-25 mV. Further evaluation of these nanoparticles revealed that substitution of disaccharides on PEIs successfully augmented cell viability. Transfection efficiency exhibited by these complexes was significantly higher than the unmodified polymer and the standard, Lipofectamine, complexes. Fabrication of organic nanoparticles did not alter the buffering capacity considerably which was found to be instrumental during endosomal escape of the complexes. Among both the series of nanoparticles, trehalose-PEI organic nanoparticles (TPONs) exhibited greater pDNA transportation potential than sucrose-PEI organic nanoparticles (SPONs) which was also established by flow cytometric data, wherein percent cells expressing GFP was higher in case of TP/pDNA complexes as compared to SP/pDNA complexes. Interestingly, TPONs also showed promising anticancer activity on cancer cell lines i.e. Mg63, MCF-7 and HepG2. Overall, the results advocate promising potential of disaccharide-PEI organic nanoparticles as efficient gene delivery agents which can be used effectively in future gene therapy applications along with anti-cancer competence of TPONs.

  • Tight Binding of Plasmid DNA With Self-Assembled Tetramethylguanidinium Conjugated Polyethylenimine Suppresses Transfection Efficiency
    Santosh Yadav, Ashwani Kumar Sharma, and Pradeep Kumar

    Frontiers in Nanotechnology, eISSN: 26733013, Published: 25 June 2021 Frontiers Media SA
    Here, we have demonstrated that on modification of linear polyethylenimine (lPEI, LP) with amphiphilic 3-bromopropyltetramethylguanidinium (PTMG) linker, the transfection efficiency exhibited by the modified polymers decreased while cell viability improved. A series of LP-PTMG polymers was synthesized by the reaction of varying amounts of 3-bromopropyl tetramethylguanidinium linker with lPEI (25 kDa). These modified polymers interacted efficiently with pDNA and formed nanosized complexes as shown by dynamic light scattering analysis. The size of the complexes in the series LP-PTMG/pDNA was observed in the range of ∼178–205 nm. The interaction of modified polymers with plasmid DNA was stronger than linear PEI as evidenced by heparin release assay which showed ∼83% pDNA release from LP-PTMG-3/pDNA complexes in comparison to ∼95% in lPEI/pDNA complexes on treatment with same amount of heparin suggesting the formation of self-assembled structures in modified polymers. The transfection studies in HeLa and Chinese hamster ovary cells showed a decrease in transfection efficiency of LP-PTMG polymers, the reason for this may be strong binding of modified polymers with pDNA due to accumulation of charge on the surface. This finding showed the significance of optimum binding of polymer and DNA to form polyplexes as well as release of DNA from the polyplexes.