Materials Science, Surfaces, Coatings and Films, Ceramics and Composites, Electronic, Optical and Magnetic Materials
53
Scopus Publications
659
Scholar Citations
13
Scholar h-index
22
Scholar i10-index
Scopus Publications
First-principles quantum transport investigation of Fe-functionalized phosphorene for high-sensitivity NO2 detection Pradhumansinh Kher, Gaurav Jadav, Sandhya Dodia, Vaibhav Bhatt, Dharmesh Katariya, Ranjan Khunt, D.K. Dhruv, Tanvi Dudharejiya, Bharat Kataria, J.H. Markna Next Materials, 2026 Significantly sensitive and energy-efficient gas sensors using 2D materials are an essential research topic for environmental monitoring applications. In this work, we carried out a comprehensive study on an iron-functionalized black phosphorene interface for nitrogen dioxide gas detection using a first-principles quantum transport method. Density functional theory and the non-equilibrium Green’s function method were employed to investigate structural stability, electronic structure modulation, charge transfer, and bias-dependent transport characteristics. Numerical convergence of self-consistent field calculations confirms computational stability, as the total energy change is found to be below 1.0 × 10 −4 eV. The adsorption energy of −2.67 eV confirms strong chemisorption of NO 2 on the Fe active site. The Hirshfeld population method indicates a charge transfer of −0.16 e on the NO 2 molecule and a Fe atom with a charge of + 0.21 e, confirming it as an electron donor site. The analysis of the electronic structure indicates a reduction in the band gap of 54% from 0.04895 eV to 0.02241 eV and a shift in the Fermi level of 0.145 eV. The work function is increased by 0.34 eV, indicating that interfacial dipoles are formed. Transmission spectra indicate a suppression in conducting channels close to the Fermi level. Bias-dependent transport simulations indicate a maximum sensitivity of 32% for a voltage of 0.2 V. Quasi-ohmic behavior is indicated with a rectification ratio close to unity. Hence, the device is confirmed to operate in a resistive type p-type mode. Fe-functionalized phosphorene is confirmed to be a promising platform for detecting NO₂ with high sensitivity and low voltage. This graphic illustrates the multiscale computational investigation of an Fe-functionalized black phosphorene interface for NO₂ detection using density functional theory (DFT) and non-equilibrium Green’s function (NEGF) methods. The study reveals that strong chemisorption (Eads = −2.67 eV) of NO₂ at the iron active site drives a strong charge transfer of approximately −0.16e to the gas molecule, creating a distinct electron depletion zone. This charge redistribution results in a 54% reduction in the band gap and a significant downward shift in the Fermi level, transforming the electronic structure. The calculated two-probe transport characteristics demonstrate that this interface functions as a quasi-ohmic, high-sensitivity p-type sensor, achieving a maximum sensing response of approximately 32% at an ultra-low operating bias of 0.2 V, highlighting its potential for low-power environmental monitoring.
Synthesis and Antimicrobial Evaluation of Quinoline-Pyrazolone Hybrid Derivatives as Potential Therapeutic Agents Dharmesh Katariya, Pankaj Solanki, Kavan Andharia, Ramesh Kothari, Bharat Kataria, Manish Shah, Ranjan Khunt Russian Journal of Bioorganic Chemistry, 2026 Objective: This study aims to synthesize and evaluate the antimicrobial potential of a series of novel quinoline-pyrazolone hybrid derivatives IVa–IVj as promising therapeutic candidates against common bacterial and fungal pathogens. The growing resistance to existing antimicrobial agents highlights the urgent need for new chemical scaffolds with improved efficacy. Methods: The target compounds IVa–IVj were synthesized via a one-pot condensation reaction of substituted benzaldehydes, 4-aminoantipyrine, and 8-hydroxyquinoline. Titanium dioxide nanoparticles (TiO2 NPs), prepared by the sol-gel method, were employed as a heterogeneous catalyst under mild reaction conditions. The antimicrobial activity of the synthesized compounds was evaluated against a panel of Gram-positive bacteria (Staphylococcus aureus, Bacillus subtilis), Gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa), and fungal strains (Candida albicans, Aspergillus niger) using the agar well diffusion method. Results and Discussion: Among the synthesized compounds, derivative IVg demonstrated the most potent antimicrobial activity, with zones of inhibition ranging from 13 to 16 mm against all tested microbial strains. Other derivatives, such as IVc, IVe, and IVi, also exhibited moderate activity. Structure–activity relationship (SAR) analysis revealed that the nature and position of substituents on the benzaldehyde ring significantly influenced biological activity, with electron-donating or bulky groups enhancing antimicrobial efficacy. Conclusions: The study successfully developed a series of quinoline-pyrazolone hybrids with promising antibacterial and antifungal properties. These compounds, particularly IVg, may serve as lead structures for the further development of novel antimicrobial agents to address the challenge of drug-resistant infections.
Efficient One-Pot Synthesis of 4-(((8-Hydroxyquinolin-7-yl) (phenyl)methyl)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one Derivatives Using TiO2Nanoparticles as a Catalyst Dharmesh Katariya, Chandani Gori, Pankaj Solanki, Bharat Kataria, Ranjan Khunt Letters in Organic Chemistry, 2026 A series of 4-(((8-hydroxyquinolin-7-yl)(phenyl)methyl)amino)-1,5-dimethyl-2-phenyl- 1,2-dihydro-3H-pyrazol-3-one derivatives (4a–j) were synthesized via a one-pot, three-component reaction. The reaction employed benzaldehyde derivatives (1a–j), 4-aminoantipyrine (2), and 8- hydroxyquinoline (3), using titanium dioxide nanoparticles (TiO2 NPs) as a catalyst. The TiO2 NPs, synthesized through a sol–gel method, efficiently catalyzed the transformation under mild conditions, delivering high yields in just 9 minutes at room temperature. Optimization revealed that 0.010 g of catalyst in methanol was optimal, with protic solvents outperforming aprotic and non-polar ones. The reaction progress was monitored using thin-layer chromatography (TLC), and the final products were isolated via recrystallization. A systematic study of reaction parameters confirmed TiO2 NPs as an efficient, reusable, and environmentally friendly catalyst for multicomponent organic synthesis.
TiO2-Catalyzed One-Pot Synthesis, Molecular Docking, and Anticancer Activity of Novel Quinoline-Pyrazole Hybrid Derivative Dharmesh K. Katariya, Jay B. Maheta, Chandani S. Gori, Pankaj P. Solanki, Bharat R. Kataria, Manish K. Shah, Ranjan C. Khunt, Yogesh O. Bhola Journal of Heterocyclic Chemistry, 2026 A series of novel quinoline‐pyrazole hybrid derivatives (4a–j) were synthesized via a rapid, eco‐friendly one‐pot three‐component condensation using TiO 2 nanoparticles as catalysts. The reaction proceeded efficiently at room temperature in methanol, yielding products within 5–10 min. All compounds were evaluated for cytotoxicity against MCF‐7 and HepG2 cancer cell lines using the MTT assay. Compound 4e (4‐OCH₃) exhibited the most potent activity, with IC 50 values of 9.1 ± 0.5 μM (MCF‐7) and 24.2 ± 0.7 μM (HepG2), comparable to doxorubicin (10.6 ± 0.2 μM for MCF‐7). Structure–activity relationship analysis revealed that electron‐donating groups (4‐OCH 3 , 3‐OCH 3 , and 4‐CH 3 ). Molecular docking studies against EGFR (1 M17) and VEGFR2 (3VHE) showed that 4e exhibited superior binding affinity (−6.34 and −7.51 kcal/mol) compared with erlotinib and sorafenib, with key hydrogen bonds and hydrophobic interactions in the ATP‐binding sites. These findings establish quinoline‐pyrazole hybrids as promising dual EGFR/VEGFR2 inhibitors, with compound 4e being a lead candidate for anticancer drug development.
A DFT Investigation of Halogen-Substituted Indeno[1,2-b]quinoxaline–Oxazole Derivatives: Insights into Electronic Structure and Reactivity Dharmesh Katariya, Gaurav Jadav, Priyank Shah, Umang Patel, Parth Unjiya, Vaishali Rathod, Dhara Desani, Dipen Patel, Vaibhav Bhatt, Jaysukh Markana, Bharat Kataria, Manish Shah, Ranjan Khunt Russian Journal of Organic Chemistry, 2025 Abstract Density functional theory calculations were used to investigate the structural and electronic properties of three halogen-substituted indeno[1,2-b]quinoxaline–oxazole derivatives: (E)-5-(4-bromophenyl)-2-[2-(7,8-dimethyl-11H-indeno[1,2-b]quinoxalin-11-ylidene)hydrazinyl]oxazole, (E)-5-(4-chlorophenyl)-2-[2-(7,8-dimethyl-11H-indeno[1,2-b]quinoxalin-11-ylidene)hydrazinyl]oxazole, and (E)-2-[2-(7,8-dimethyl-11H-indeno[1,2-b]quinoxalin-11-ylidene)hydrazinyl]-5-(4-fluorophenyl)oxazole. Stable molecular structures for all the three compounds were confirmed through geometry optimization at the RB3LYP/3-21G level of theory. Electronic structure analysis revealed that the frontier molecular orbital energy gaps are strongly influenced by the halogen substituent: ΔEgap 3.44 eV (Br), 1.79 eV (Cl), and 1.75 eV (F). These variations indicate differences in molecular reactivity, charge transfer properties, and optoelectronic potential. Electrostatic potential (ESP) mapping further elucidated charge distribution patterns, highlighting electrophilic and nucleophilic regions. The findings provide valuable insights into the electronic modulation of the studied quinoxaline–oxazole derivatives, making them promising candidates for optoelectronic and material science applications.
Magnetoelectric properties of Co-doped BiFeO3 nanoparticles V. G. Shrimali, K. N. Rathod, Davit Dhruv, Alpa Zankat, Khushal Sagapariya, Sapana Solanki, P. S. Solanki, N. A. Shah, B. R. Kataria International Journal of Modern Physics B, 2018
Green synthesis of silver nanoparticle using Bambusa arundinacea leaves Bharat Kataria, Vasvani Shyam, Babiya Kaushik, Jaydeep Vasoya, Joyce Joseph, Chirag Savaliya, Sumit Kumar, Sachin P. Parikh, C. M. Thakar, D. D. Pandya, A. B. Ravalia, J. H. Markna, N. A. Shah Aip Conference Proceedings, 2017
First-principles quantum transport investigation of Fe-functionalized phosphorene for high-sensitivity NO2 detection P Kher, G Jadav, S Dodia, V Bhatt, D Katariya, R Khunt, DK Dhruv, ... Next Materials 12, 102064 , 2026 2026
Green Synthesis and Physicochemical Characterization of NiO-ZnO Nanocomposites Derived from Aloe barbadensis Miller Leaf Extract MVBRK Mrudita K. Karamata, Sahajkumar A. Gandhi, Kalpna D. Rakholiya, Mital ... Journal of Scientific Research and Reports 32 (Issue 5), 670-682 , 2026 2026
Synthesis and Antimicrobial Evaluation of Quinoline-Pyrazolone Hybrid Derivatives as Potential Therapeutic Agents D Katariya, P Solanki, K Andharia, R Kothari, B Kataria, M Shah, R Khunt Russian Journal of Bioorganic Chemistry 52 (2), 29 , 2026 2026
Suppression of Jahn–Teller Distortion and Dielectric Enhancement in Pr-Doped GdMnO3 Perovskites P Siddhpura, T Dudharejiya, P Solanki, DK Dhruv, SA Sharko, JH Markna, ... Physica B: Condensed Matter, 418491 , 2026 2026
Substrate Temperature Modulated Electrical Transport Characterizations of PLD Grown α-CdIn2Se4 Thin Films SAS D.K. Dhruv, Jagruti Jangale, S.D. Dhruv, Tanvi Dudharejiya, Bharat ... International Conference on “Synergetic Development through Smart … , 2026 2026
TiO 2 ‐Catalyzed One‐Pot Synthesis, Molecular Docking, and Anticancer Activity of Novel Quinoline‐Pyrazole Hybrid Derivative DK Katariya, JB Maheta, CS Gori, PP Solanki, BR Kataria, MK Shah, ... Journal of Heterocyclic Chemistry , 2026 2026
Efficient One-Pot Synthesis of 4-(((8-Hydroxyquinolin-7-yl)(phenyl) methyl) amino)-1, 5-dimethyl-2-phenyl-1, 2-dihydro-3 H-pyrazol-3-one Derivatives Using TiO2 Nanoparticles as … D Katariya, C Gori, P Solanki, B Kataria, R Khunt Letters in Organic Chemistry 23 (1), 61-70 , 2026 2026 Citations: 3
Cu and CuO Nanoparticles in Heat Transfer Applications: A Comprehensive Review H Chotai, RV Ramani, J Markna, B Kataria Journal of Advanced Mechanical Engineering Applications 6 (2), 8-31 , 2025 2025 Citations: 1
A NOVEL ADMIXTURE OF SiO2 AND PYRAN MORPHOLINE LINKAGE COMPOSITE Dharmesh K. Katariya, Ranjan C. Khunt, Bharat R. Kataria, Jaysukh H. Markna ... IN Patent App. 202521080602 A , 2025 2025
A Review on Metal Oxide Nanoparticles: Bridging Chemical Synthesis Strategies to Emerging Applications JM Pradhumansinh Kher, Gaurav Jadav, Sandhya Dodia, Bharat Kataria Journal of Sustainable Materials Processing and Management 5 (2), 51-73 , 2025 2025 Citations: 1
First principle investigation and substrate temperature dependent structural and electrical transport characterizations of pulsed laser deposited (PLD) cadmium indium Selenide ( α -CdIn … SD Dhruv, T Dudharejiya, SA Sharko, AI Serokurova, NN Novitskii, ... Applied Physics A 131 (9), 663 , 2025 2025 Citations: 1
Investigations on electronic structure and transport property modifications of La0. 7Ca0. 3-xKxMnO3 ceramics P Lakhani, P Sidhdhapura, M Vala, T Dudhrejiya, N Udani, S Dodia, ... Physica B: Condensed Matter 711, 417279 , 2025 2025 Citations: 1
A DFT Investigation of Halogen-Substituted Indeno[1,2- b ]quinoxaline–Oxazole Derivatives: Insights into Electronic Structure and Reactivity D Katariya, G Jadav, P Shah, U Patel, P Unjiya, V Rathod, D Desani, ... Russian Journal of Organic Chemistry 61 (8), 1549-1558 , 2025 2025 Citations: 1
Resistive switching and conduction mechanisms in PLD-grown GdMnO 3 /SNTO thin film device T Dudharejiya, N Udani, DK Dhruv, RJ Choudhary, SA Sharko, ... Journal of Materials Science: Materials in Electronics 36 (24), 1482 , 2025 2025 Citations: 2
Structural and Magnetic Evolution in Ga+ 3-Doped DyMnO3: Impact on Jahn-Teller Distortion and Spin Glass Behavior P Siddhpura, T Dudharejiya, N Udani, S Dodia, G Jadav, DK Dhruv, ... Ceramics International 51 (23), 38448-38460 , 2025 2025 Citations: 3
Aucubin as a Natural Therapeutic and Optical Material: A Computational Study on Its Structural, Spectroscopic, and Photonic Properties G Jadav, S Dodia, P Kher, P Shah, D Kataria, RC Khunt, DK Dhruv, ... International Journal of Quantum Chemistry 125 (10), e70054 , 2025 2025
Enhancing water repellency in cement concrete through PDMS-Based superhydrophobic coatings S Dodia, G Jadav, P Kher, D Dhruv, H Ashani, S Gohel, B Kataria, ... Nano 20 (02), 2450096 , 2025 2025 Citations: 5
Synthesis, Characterization, and Computational Analysis of (E)-2-(2-(11 H -Indeno[1,2 -b ]quinoxalin-11-ylidene)hydrazineyl)-5-phenyloxazole Derivatives for … D Katariya, G Jadav, P Shah, A Vyas, P Bhanderi, V Bhatt, J Markana, ... Current Science, Engineering & Technology , 2025 2025
Investigation of electrical transport mechanisms in an n-CdIn 2 Se 4/Pt thin film Schottky diode fabricated by pulsed laser deposition SD Dhruv, T Dudharejiya, SA Sharko, AI Serokurova, NN Novitskii, ... RSC advances 15 (50), 42761-42770 , 2025 2025
Substrate temperature modulated optical characterizations of α-CdIn 2 Se 4 thin films grown by pulsed laser deposition technique SD Dhruv, T Dudharejiya, SA Sharko, AI Serokurova, NN Novitskii, ... RSC advances 15 (32), 26353-26361 , 2025 2025 Citations: 2
MOST CITED SCHOLAR PUBLICATIONS
Structural, transport and magnetic properties of monovalent doped La1− xNaxMnO3 manganites SB Kansara, D Dhruv, B Kataria, CM Thaker, S Rayaprol, CL Prajapat, ... Ceramics International 41 (5), 7162-7173 , 2015 2015 Citations: 83
Role of strain and microstructure in chemical solution deposited La0. 7Pb0. 3MnO3 manganite films: thickness dependent swift heavy ions irradiation studies B Kataria, PS Solanki, U Khachar, M Vagadia, A Ravalia, MJ Keshvani, ... Radiation Physics and Chemistry 85, 173-178 , 2013 2013 Citations: 74
Effects of gamma radiation on structural, optical, and electrical properties of SnO2 thin films R Kajal, BR Kataria, K Asokan, D Mohan Applied Surface Science Advances 15, 100406 , 2023 2023 Citations: 61
Size-controlled electrical properties of sol–gel-grown nanostructured Gd 0.95 Ca 0.05 MnO 3 K Thakrar, D Dhruv, KN Rathod, Z Joshi, K Gadani, DD Pandya, ... Journal of Sol-Gel Science and Technology 79 (1), 144-150 , 2016 2016 Citations: 42
Current–voltage characteristics and electroresistance in LaMnO 3− δ/La 0.7 Ca 0.3 MnO 3/LaAlO 3 thin film composites K Gadani, MJ Keshvani, B Rajyaguru, D Dhruv, BR Kataria, AD Joshi, ... Physical Chemistry Chemical Physics 19 (43), 29294-29304 , 2017 2017 Citations: 41
Studies on charge transport in Al–doped La0. 7Ca0. 3Mn1− xAlxO3 manganites JS Rathod, MJ Keshvani, PS Solanki, DD Pandya, B Kataria, NA Shah, ... Physica B: Condensed Matter 478, 1-5 , 2015 2015 Citations: 41
Magnetoelectric properties of Co-doped BiFeO 3 nanoparticles VG Shrimali, KN Rathod, D Dhruv, A Zankat, K Sagapariya, S Solanki, ... International Journal of Modern Physics B 32 (12), 1850143 , 2018 2018 Citations: 20
Synthesis, microstructural, rietveld refinement and optical characterizations of sol–gel grown cerium oxide ceramics SD Dhruv, J Kolte, P Solanki, SA Sharko, V Solanki, J Tailor, K Chaudhari, ... Journal of Materials Science: Materials in Electronics 35 (18), 1202 , 2024 2024 Citations: 18
Novel approach of pulsed-glow discharge wall conditioning in the ADITYA Upgrade tokamak KA Jadeja, K Patel, KM Patel, BG Arambhadiya, J Ghosh, RL Tanna, ... Nuclear Fusion 59 (8), 086005 , 2019 2019 Citations: 16
Studies on structural, morphological and electroresistance properties of sol–gel grown nanostructured PrMnO3 MJ Keshvani, S Katba, S Jethva, M Udeshi, B Kataria, A Ravalia, ... Materials Science and Engineering: B 218, 40-50 , 2017 2017 Citations: 15
Synthesis, microstructural and optical characterizations of sol-gel grown gadolinium doped cerium oxide ceramics SD Dhruv, J Kolte, P Solanki, MP Deshpande, V Solanki, J Tailor, ... RSC advances 14 (22), 15455-15467 , 2024 2024 Citations: 14
Structural, electrical transport and optical properties of doped La0. 7Ca0. 3MnO3 ceramics P Lakhani, M Unadkat, P Solanki, JH Markana, M Ranjan, B Kataria Boletín de la Sociedad Española de Cerámica y Vidrio 61 (6), 686-696 , 2022 2022 Citations: 14
Lithium wall conditioning techniques in ADITYA-U tokamak for impurity and fuel control KA Jadeja, J Ghosh, N Yadava, KM Patel, K Patel, RL Tanna, ... Nuclear Fusion 62 (1), 016003 , 2022 2022 Citations: 14
Role of Gallium in the charge transport mechanisms for La0. 67Ca0. 33Mn1–xGaxO3 manganites BR Kataria, A Ravalia, AU Vyas, DD Pandya, PS Solanki, NA Shah Physica B: Condensed Matter 545, 182-189 , 2018 2018 Citations: 13
Phyllanthus emblica fruit extract assisted green synthesis of ZnO nanoparticles: Thermal, vibrational, optical and electrical properties M Vala, P Siddhpura, P Solanki, B Kataria Materials Today: Proceedings 76, 579-584 , 2023 2023 Citations: 12
Structural, electrical and magnetic properties of orthorhombic GdMn1-xNixO3 (0≤ x≤ 0.1): influence of Ni doping P Solanki, M Vala, P Siddhapura, SV Bhatt, M Ranjan, B Kataria Journal of Magnetism and Magnetic Materials 564, 170102 , 2022 2022 Citations: 12
Structural, optoelectronic, and antibacterial properties of Cu x Mn 1-x S nanoparticles fabricated by co-precipitation approach D Vyas, K Parikh, R Jadav, V Dubey, B Kataria, S Ghotekar Journal of Sol-Gel Science and Technology 112 (3), 674-687 , 2024 2024 Citations: 11
Ni doping effect on the temperature-dependent dielectric properties and ac conductivity of polycrystalline GdMn 1−X Ni X O 3 ceramics P Solanki, M Vala, D Dhruv, CR Savaliya, JH Markna, B Kataria Journal of Materials Science: Materials in Electronics 34 (19), 1501 , 2023 2023 Citations: 11
Role of antimony in the charge transport mechanisms for La0. 67Ca0. 33Mn1–xSbxO3 manganites BR Kataria, P Solanki, DD Pandya, PS Solanki, NA Shah Physica B: Condensed Matter 541, 43-49 , 2018 2018 Citations: 11
Complex dielectric and impedance analysis in Dy1-XPrXMnO3 compounds: Partial substitution effects P Lakhani, P Solanki, M Vala, P Siddhpura, D Dhruv, KP Sooraj, ... Ceramics International 50 (2), 3351-3365 , 2024 2024 Citations: 10