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Boranna, M. P. and Mahesh, S. S. and Gummagol, Neelamma B. and Patil, Parutagouda Shankaragouda and Ravikumar, H. B. (2026) Role of free volume on nonlinear optical properties of PSAN/NiO polymer nanocomposites. Materials Science and Engineering: B, 323. p. 118864. ISSN 0921-5107
Chandan, M. and Udaya Kumar, A. H. and Karthik Kumara and Rekha, N. D. and Dinesh Kumar, G. and Lokanath, N. R. and Ajay Kumar, K. (2026) Pyridine-linked 1,3,4-oxadiazoles decorated with secondary amines as α-amylase inhibitors: Synthesis, crystal structure, enzyme kinetics and computational studies. Journal of Molecular Structure, 1353. p. 144655. ISSN 1872-8014
Darshan, D. and Santhosh, C. and Singh, Ravi K. and Chethan, B. S. and Lohith, T. N. and Sadashiva, M. P. and Sunil, K. and Hemalatha, P. (2026) Synthesis, structural elucidation, Hirshfeld surface, DFT, pharmacophore, and in silico studies of a piperonal derivative: A study based on experimental and theoretical methods. Journal of Molecular Structure, 1352. p. 144555. ISSN 1872-8014
Dhanushchandraguru, H. M. and Hemaraju, B. C. and Chandra and Vinay Kumar, D. C. and Chethan, B. S. and Akhileshwari, P. and Preetham, R. and Sadashiva, M. P. (2026) Comprehensive structural, electronic, and in-silico characterization of 1-phenyl-5-(m-tolyl)-1H-tetrazole as a potential steroidogenic factor-1 (SF-1) inhibitor candidate. Journal of Molecular Structure, 1349. p. 143859. ISSN 0022-2860
Geetha, D․ V․ and Harisha, A․ S․ and Karthik, V․ and Chandana, S․ N․ and Kavitha, H․ D․ and Lakshminarayana, B․ N․ and Sridhar, M․ A. (2026) X-ray structural analysis, quantum chemical computations, molecular docking, and molecular dynamics simulations of Diethyl 5’-amino-3,3-dibromo-2,6-dicyano1,2,3,4-tetrahydro-1,1.3,1-terphenyl 2,4-dicarboxylate. Journal of Molecular Structure, 1351. p. 144142. ISSN 0022-2860
Harish, Keshav Kumar and Swamynayaka, Ananda and Nagaraja, Omantheswara and Haruvegowda, Doreswamy B. and Vahini M, Vindu and Vishwanath, Divakar and Basappa, Basappa and Dukanya, Dukanya and Madegowda, Mahendra (2026) Crystal-guided computational profiling of dichlorophenyl-piperazine ligands as JNK3 binders: Hydrophobic interaction-driven design for neurodegenerative therapy. Journal of Molecular Structure, 1351. p. 144361. ISSN 0022-2860
Jyothi, K.L. and Kumara, Karthik and Arya, Viswanath M. and Ghantasala, Vallabh S. and Guru Row, T. N. and Lokanath, N. K. (2026) Structural investigation and computational insight of binary molecular salt crystals of gallic acid with 2-aminopyridine and 3-aminopyridine. Journal of Molecular Structure, 1350. p. 144026. ISSN 0022-2860
Karthik, V. and Santhosh, C. and Geetha, D․ V․ and Chandini, K․ M․ and Sindogi, Kishorkumar and Sridhar, M․ A․ and Sadashiva, M․ P. (2026) Multifaceted exploration of benzyl 5-(p-tolyl)-1,3,4-thiadiazole-2-carboxylate: Spectroscopic, structural, and computational insights into its drug-like potential. Journal of Molecular Structure, 1350. p. 143963. ISSN 0022-2860
Kavya Shree, K. M. and Guruswaroop, C. and Upendra, N. and Krishnaveni, S. (2026) Nucleotide-dependent structural dynamics and domain motion in Coxiella burnetii EngA GTPases: Insights from molecular dynamics simulation. Archives of Biochemistry and Biophysics, 776. p. 110693. ISSN 0003-9861
Khapate, Basavajyothi and Betadur, Bhavani and Talwar, Madhura N. and Shirni, Asha P. and Nagaraj, Milana and Goudar, Kotresh M. and Gnanaprakash, A. P. and Pushpa, N. (2026) Investigation of latent fingerprints on porous and non-porous surfaces using multi-walled carbon nanotube-assisted ZnO nanocomposites. Micro and Nanostructures, 210. p. 208513. ISSN 2773-0123
Kishor Prasadand, S and Chethan, B. S. and Pruthviraj, K. and Niranjana, S. V. and Kenchanna, S. and Neetha, S. and Manjunatha, K. and Pramodh, B. and Lokanath, N. K. and Sunil, K. (2026) Structural and computational investigation of the novel Isatin derivative: Exploration of the pharmacokinetic and drug properties. Journal of Molecular Structure, 1349. p. 143674. ISSN 0022-2860
Kruthika, K. and Rumana Farheen, S. M. and Manjunatha, H. C. and Vidya, Y. S. and Sridhar, K. N. and Munirathnam, R. and Adarsh Raj, L. and Manjunatha, S and Krishnaveni, S. (2026) Synthesis of BaZrPbO nanocomposites via green-mediated route for gamma shielding applications. Radiation Physics and Chemistry, 240. p. 113427. ISSN 0969806X
Kulkarni, Sneha Narayan and Amasegowda, Akhila and Manjunath, Hemavathi and Jadhav, Arvind H. and Lokanath, N. K. (2026) Unleashing the effect of engineered high-performance S-scheme n–n–n heterojunction g-C3N4/SnO2/Bi2S3 as a dual photo-electrocatalyst for water splitting. Fuel, 405. p. 136593. ISSN 0016-2361
Lingaraj, Adarsh Raj and Nazeer, Imran and Amini, Sebghatullah and Ankanathappa, Sangamesha Madanahalli and Sannathammegowda, Krishnaveni (2026) A sustainable approach to energy generation from recycled capacitors and batteries: intelligent fluid monitoring device. Materials Science and Engineering: B, 323. p. 118744. ISSN 0921-5107
Lokesh, H. R. and Kathyayani, D. and Mahesh, B. and Suhas, P. and Mahadeva Prasad, C. S. and Rekha, N. D. and Sionkowska, Alina and Channe Gowda, D. and Klepka, Tomasz (2026) Examination of physicochemical characteristics of blends of synthetic elastin-mimetic polypentapeptide with chitosan: Inhibitory potential on pancreatic α-amylase. Materials Chemistry and Physics, 348. p. 131529. ISSN 0254-0584
Nagaraju, Vivekraj and Krishnegowda, Jagadish and Shivalingaiah, Lingegowda Nagarakere and Karigiregowda, Thriveni Muttegere and Narasigowda, Kumara Manikyanahally (2026) Dual-functional CuO/ZrO2/Al2O3 nanocomposite with tailored p–n heterojunction interfaces for enhanced dye degradation and antimicrobial efficiency. Environmental Pollution and Management, 3. pp. 88-98. ISSN 29503051
Narasimhachar, Bhanuprakash C. and Harish, Keshav Kumar and Nagaraja, Omantheswara and Vishwanath, Divakar and Chandrashekar, H. B. and Mamatha, S. K. and Mahendra, M. and Lobie, Peter E. and Rangappa, K. S. and Basappa, Basappa and Chandrashekara, P. G. (2026) Synthesis, structural studies, cytotoxicity and computational evaluation of 1,3,4-oxadiazolyl-thio-oxazines as potential NF-κB inhibitors in breast cancer. Journal of Molecular Structure, 1353. p. 144494. ISSN 1872-8014
Nayak, Yogeesha N. and Dwarakanath, Deepika and Harish, Keshav Kumar and Pai, Sreedhara Ranganath and Mahendra, M. and Gaonkar, Santosh L. (2026) Quinazoline-oxadiazole hybrids: Synthesis, SC-XRD, Hirshfeld surface analysis and computational investigations. Journal of Molecular Structure, 1351.
Udaya Kumar, A. H. and Dibdalli, Yuvaraja and Morales-Verdejo, Cesar and Khadri M․ J․, Nagesh and Mahesha and Lokanath, N. K. (2026) Influence of mono- and di-bromo substitution on the structure conformation and supramolecular assembly of schiff base derivatives. Journal of Molecular Structure, 1353. p. 144582. ISSN 1872-8014
Vinay Kumar, D. C. and Chethan, B. S. and Neetha, S. and Darshini Gowda and Shalini, V. and Lohith, T. N. and Rangappa, K. S. and Lokanath, N. K. (2026) Comprehensive analysis of triazolothiadiazole derivative: From synthesis and crystal structure to quantum chemical and molecular simulation studies on JAK2 protein. Journal of Molecular Structure, 1353. p. 144689. ISSN 1872-8014
