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2025

  1. S. Dutta, P. Sengupta et al. Polycystic Ovary Syndrome (PCOS)-Specific Risk Appraisal of the Sunscreen Ultraviolet (UV) Filters (Oxybenzone/Octinoxate). Toxics 2025, 13 (11), 927.
    Cites: Molecular mechanism facets of Oxidative stress mediated pathogenesis. J. Mol. Chem. 2023, 3 (2), 587.[Link]

  2. B.P. Mishra, J. Dahiya, V. Krishnan. Semiconductor photocatalysts for hydrogen evolution: critical role of cocatalysts in enhancing performance. Chem. Commun. 2025.
    Cites: S.A. Ali, I. Sadiq, T. Ahmad. Fabricating advanced functional materials for Hydrogen evolution reaction applications. J. Mol. Chem. 2025, 5 (1), 1204. [Link]

  3. T. Pandey, V. Pandey. Hydrogen Sulfide Production From Microbes: Mechanistic Understanding and Advancements. Biotechnol. Appl. Biochem. 2025.
    Cites: Chemistry of Coenzyme F420 in Environment. J. Mol. Chem. 2024, 4 (1), 696.[Link]

  4. W. Zaman, A. Amin. Mechanistic Insight into Phenolic Compounds in Mitigating Diabetic Complications Induced by Advanced Glycation End Products. Curr. Issues Mol. Biol. 2025, 47 (10), 841.
    Cites: N. Murugesan, D. Chandraprabha. Antioxidant activity of synergistic quercetin resveratrol. J. Mol. Chem. 2023, 3 (1), 581.

  5. V. Unsal, L. Ercan, C.G. Calıskan. Determination of bioactive and anti-inflammatory molecules of Thymbra spicata L. from Mardin by GC–MS and LC–Orbitrap HRMS: a DFT, molecular docking, ADMET, biological target and activity study. BMC Complement. Med. Ther. 2025, 25 (1), 358.
    Cites: N. Azad, R. Kakkar. Computational molecular docking analysis of Doxifluridine and its metabolites to identify potential hits for PDHK1. J. Mol. Chem. 2024, 4 (2), 693.

  6. R. Tian, J. Li, Y. Xia, et al. 3D-Printed Field-free Ionization Source for Mass Spectrometry. Anal. Chem. 2025. DOI: 10.1021/acs.analchem.5c05002
    Cites: K. Saini, S. Sharma, V. Bhatia, S. Zaidi. Recent advances in Mass Spectrometry: An appraisal of fundamentals and applications. J. Mol. Chem. 2023, 3 (1), 584.

  7. S. Sifontes-Rodríguez, S. Meneses-Gómez, A.R. Escalona-Montaño, et al. PubChem BioAssays 1063: A Poorly Exploited Source of New Antileishmanial Compounds. J. Parasitol. Res. 2025, 2025 (1).
    Cites: In silico screening and molecular docking study of quinoline based compounds with Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative receptor target for potential antibacterials. J. Mol. Chem. 2023, 3 (1), 585. [Link]

  8. U.J. Tsopmene, C.R.K. Tokam, L.Y. Chimi, et al. Combining Plant Bioactives With Antibiotics for Enhanced Antibiofilm Activity Against Uropathogenic Staphylococcus spp. and Cytotoxicity Evaluation. Adv. Pharmacol. Pharm. Sci. 2025, 2025 (1).
    Cites: N. Murugesan, D. Chandraprabha. Antioxidant activity of synergistic quercetin resveratrol. J. Mol. Chem. 2023, 3 (1), 581. [Link]

  9. X. Lyu, H. Yu, Y. Lu. Diversity and function of soluble heterodisulfide reductases in methane-metabolizing archaea. Microbiol. Spectr. 2025, 13 (5).
    Cites: Chemistry of Coenzyme F420 in Environment. J. Mol. Chem. 2024, 4 (1), 696.[Link]

  10. A. Ragab, M.S. Abusaif, H.M.R.M. Selim, et al. Development of pyrazole and pyrazolopyrimidine derivatives as promising anti-MRSA agents targeting penicillin-binding protein (PBP2a) and mecA gene. Bioorg. Chem. 2025, 165, 108977.
    Cites: J. Singh. Ceftobiprole medocaril (Zevtera) – FDA approved antibiotic for three infections including methicillin-resistant Staphylococcus aureus. J. Mol. Chem. 2024, 4 (2), 692. [Link]

  11. E. Etukudo, I. Usman, A. Oviosun, et al. Exploring the Neuroprotective Potentials of Flavonoid Metabolites in Syzygium aromaticum: A Review with in-silico Insight to Therapeutic Potential. J. Exp. Pharmacol. 2025, Volume 17, 587–611.
    Cites: S.I. Khalivulla, U.R.S. Arigala, B.V.K.K. Althurthi. Molecular Docking Studies of 3a,4-dihydro-3H- [1,3,2] oxazaphospholo  [3,4-a]Indole-1-oxide derivatives for Anticancer activity. J. Mol. Chem. 2024, 4 (2), 697 [Link].

  12. N. Jane, S. Peter, I. Betty, K. Sammy, B. Robert. A Review on Antimicrobial Compounds from Selected African Medicinal Plants. In Biomedical and Life Sciences; 2025; pp 277–324.
    Cites: S.P. Gurjar, A. Gupta, A. Roy. Molecular docking studies of phytocompounds from Artemisia monosperma against ERK2 kinase in lung cancer. J. Mol. Chem. 2023, 3 (2), 591. [Link

  13. B.A. Najri, K.M. Saidi, C. Kaya, et al. Graphene Oxide–Graphite Composite Catalysts for Hydrogen Evolution in Sodium Borohydride Methanolysis. ACS Appl. Nano Mater. 2025, 8 (29), 14622–14634.
    Cites: S.A. Ali, I. Sadiq, T. Ahmad. Fabricating advanced functional materials for Hydrogen evolution reaction applications. J. Mol. Chem. 2025, 5 (1), 1204. [Link]

  14. A. Boufissiou, M. Abdalla, I. Kadi, et al. Identification of natural product inhibitors as potential drug candidates for treating Alzheimer’s disease: molecular docking, molecular dynamics simulations, MM/GBSA and pharmacokinetics. Netw. Model. Anal. Heal. Informatics Bioinforma. 2025, 14 (1), 56.
    Cites: S.I. Khalivulla, U.R.S. Arigala, B.V.K.K. Althurthi. Molecular Docking Studies of 3a,4-dihydro-3H- [1,3,2] oxazaphospholo  [3,4-a]Indole-1-oxide derivatives for Anticancer activity. J. Mol. Chem. 2024, 4 (2), 697 [Link].

  15. A. Gümüş, N. Sadeghian, M. Sadeghi, P. Taslimi, S. Gümüş. Novel triazole bridged quinoline-anthracene derivatives: synthesis, characterization, molecular docking, evaluation of electronic and enzyme inhibitory properties. J. Biomol. Struct. Dyn. 2025, 43 (2), 843–858.
    Cites: Synthesis and medicinal applications of quinoline hybrid heterocycles : a comprehensive review. J. Mol. Chem. 2022, 2 (1), 338. [Link]

  16. X. Lyu, H. Yu, Y. Lu. Diversity and function of soluble heterodisulfide reductases in methane-metabolizing archaea. Microbiol. Spectr. 2025, 13 (5).
    Cites: Chemistry of Coenzyme F420 in Environment. J. Mol. Chem. 2024, 4 (1), 696.[Link]

  17. S. Narwal, B. Devi, T. Dhanda. Synthesis, Molecular Modeling and Biological Significance of 3,5-bis (4‑(substituted phenyl)‑1H- pyrazole Derivatives as Prospective Antimicrobial. J. Mol. Struct. 2025, 142789.
    Cites: Pyrazole derivatives affinity to Estrogen receptor Alpha for breast cancer treatment evaluation using molecular docking. J. Mol. Chem. 2023, 3 (2), 590.[Link]

  18. C. Pal. Targeting mitochondria with small molecules: A promising strategy for combating Parkinson’s disease. Mitochondrion 2024, 79, 101971.
    Cites: Molecular mechanism facets of Oxidative stress mediated pathogenesis. J. Mol. Chem. 2023, 3 (2), 587.[Link]

  19. S.S.A. Rahman, S. Pasupathi, S. Karuppiah. Influence of deep-eutectic and organic solvents on the recovery, molecular mass, and functional properties of dextran: Application using dextran film. Int. J. Biol. Macromol. 2025, 293, 139202.
    Cites: Regular food chemicals as antioxidant towards prevention of diseases – An insight review. J. Mol. Chem. 2022, 2 (2), 441. [Link]

  20. S.A. Ali, I. Sadiq, M. Estrader, T. Ahmad. Atomic‐Level Tuning Strategies in Designing Active Catalysts for Heterogeneous CO 2 Conversion into Chemical Feedstock. ChemCatChem 2025, 17 (10).
    Cites: Fabricating advanced functional materials for Hydrogen evolution reaction applications. J. Mol. Chem. 2025, 5 (1), 1204. [Link]

  21. S.P. Gurjar, A. Roy, A. Gupta, et al. In-silico Studies of Phytochemicals from Selected Medicinal Plants against Lung Cancer Receptor. Lett. Appl. NanoBioScience 2025, 14 (2).
    Cites: Molecular docking studies of phytocompounds from Artemisia monosperma against ERK2 kinase in lung cancer. J. Mol. Chem. 2023, 3 (2), 591. [Link]

  22. S.V. Saranya, P. Chellapandi. Convergent Evolution of Coenzyme Metabolism in Methanosarcina mazei: Insights Into Primitive Life and Metabolic Adaptations. J. Basic Microbiol. 2025.
    Cites: Chemistry of Coenzyme F420 in Environment. J. Mol. Chem. 2024, 4 (1), 696.[Link]

  23. C. Pal. Small Molecules Targeting Mitochondria: A Mechanistic Approach to Combating Doxorubicin-Induced Cardiotoxicity. Cardiovasc. Toxicol. 2025, 25 (2), 216–247.
    Cites: Molecular mechanism facets of Oxidative stress mediated pathogenesis. J. Mol. Chem. 2023, 3 (2), 587.[Link]

  24. M. Rahman, S. Shaheen, T. Ahmad. Photocatalytic transformation of organic pollutants and remediation strategies of carbon emissions and nitrogen fixation in inland water. Mater. Today Catal. 2025, 9, 100103.
    Cites: Fabricating advanced functional materials for Hydrogen evolution reaction applications. J. Mol. Chem. 2025, 5 (1), 1204. [Link]

  25. S.P. Gurjar, A. Roy, A. Gupta, et al. Computational Studies of Amla (Phyllanthus emblica) Bioactive Compounds against COVID-19 Mutants (PDB ID: 7T9L and 7V8B). Lett. Appl. NanoBioScience 2025, 14 (2).
    Cites: Molecular docking studies of phytocompounds from Artemisia monosperma against ERK2 kinase in lung cancer. J. Mol. Chem. 2023, 3 (2), 591. [Link]

  26. B.J. Kumar, V.T. Mahalingam, M. Ganesh Kumar, S.M. Lakshmi. Molecular docking analysis of CYP2C19 gene polymorphisms and their effect on escitalopram plasma concentrations in major depressive disorders patients. Gene Reports 2025, 38, 102119.
    Cites: In silico screening and molecular docking study of quinoline based compounds with Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative receptor target for potential antibacterials. J. Mol. Chem. 2023, 3 (1), 585. [Link]

  27. M. George, R. Boukherroub, A. Sanyal, S. Szunerits. Treatment of lung diseases via nanoparticles and nanorobots: Are these viable alternatives to overcome current treatments? Mater. Today Bio 2025, 31, 101616.
    Cites: Ceftobiprole medocaril (Zevtera) – FDA approved antibiotic for three infections including methicillin-resistant Staphylococcus aureus. J. Mol. Chem. 2024, 4 (2), 692. [Link]

  28. B. Danso, Y. Fengling, X. Hua, et al. Potential inhibitors of metalloproteinases (MMPs) and phospholipases from Nemopilema nomurai jellyfish peptides: An in-silico pharmacokinetics and molecular docking studies. Toxicon 2025, 263, 108421.
    Cites: Molecular docking and dynamic studies of novel phytoconstituents in an investigation of the potential inhibition of protein kinase C- beta II in diabetic neuropathy. J. Mol. Chem. 2023, 3 (2), 589. [Link]

  29. S. Gyampoh, M. Nabi, P. Arora, S. Kumar. Exploring 5-Benzylthiazolidine-2, 4-Dione Derivatives as Promising PPAR-gamma Agonists through Computational Methods. Curr. Signal Transduct. Ther. 2025, 20 (1).
    Cites: Molecular docking study for binding affinity of Indole derivatives against solution structure of the antimicrobial peptide Btd-2 [3, 4]. J. Mol. Chem. 2024, 4 (1), 686. [Link]

  30. C. Pal. Design and synthesis of a Thymol dimer with antioxidant properties for the prevention of iron-mediated protein degradation. J. Indian Chem. Soc. 2025, 102 (1), 101516.
    Cites: Molecular mechanism facets of Oxidative stress mediated pathogenesis. J. Mol. Chem. 2023, 3 (2), 587.[Link]

  31. H. Yu, X. Xu, J. Hao, et al. Mixed fermentation of citrus peel pomace with Trichoderma koningii, Aspergillus oryzae and Lactobacillus casei: Process optimization, antioxidant activities and non-targeted metabolomics analysis. Food Biosci. 2025, 66.
    Cites: Antioxidant activity of synergistic quercetin resveratrol. J. Mol. Chem. 2023, 3 (1), 581. [Link]

  32. L.M. Ferreira, P. García-García, P.A. García, M.Á. Castro. A review on quinolines: New green synthetic methods and bioactive potential. Eur. J. Pharm. Sci. 2025, 209, 107097.
    Cites: Synthesis and medicinal applications of quinoline hybrid heterocycles : a comprehensive review. J. Mol. Chem. 2022, 2 (1), 338. [Link]

  33. H.R. Bhojwani, N.P. Rajnani, A. Hare, N.S. Kurup. Integrative computational approaches in pharmaceuticals: Driving innovation in discovery and delivery; 2025; pp 349–373. Elsevier.
    Cites: Recent advances and current strategies of cheminformatics with artificial intelligence for development of molecular chemistry simulations. J. Mol. Chem. 2022, 2 (2), 440. [Link]

  34. F. Farhadi, F. Sharififar, M. Jafari, et al. Hallmarks of Quercetin Benefits as a Functional Supplementary in the Management of Diabetes Mellitus-Related Maladies: From Basic to Clinical Applications. Curr. Drug Metab. 2025, 25 (9), 653–669.
    Cites: Mechanistic investigation of Quercetin in the management of complications of Diabetes mellitus by Network Pharmacology. J. Mol. Chem. 2024, 4 (1), 684. [Link]

  35. A. Mushtaq, M.M. Naseer. Novel s-triazine derivatives as potential anticancer agents: Synthesis, DFT, DNA binding, molecular docking, MD simulation and in silico ADMET profiling. J. Mol. Struct. 2025, 1322, 140558.
    Cites: Molecular docking and dynamic studies of novel phytoconstituents in an investigation of the potential inhibition of protein kinase C- beta II in diabetic neuropathy. J. Mol. Chem. 2023, 3 (2), 589. [Link]

    2024
  36. S. Singh, N. Kaur, A. Gehlot. Application of artificial intelligence in drug design: A review. Comput. Biol. Med. 2024, 179, 108810.
    Cites: Virtual screening of potential inhibitors against SARS-CoV-2 main proteases (Mpro) by dual docking with FRED and AutoDock Vina programs. J. Mol. Chem. 2021, 1 (1), 105. [Link]

  37. S.P. Gurjar, A. Roy, A. Gupta. Understanding pharmacokinetics, bioavailability radar, and molecular docking studies for selected medicinal plants against lung cancer receptors. Harnessing Med. Plants Cancer Prev. Treat. 2024, 343–388. [Book Chapter - Scopus]
    Cites: Molecular docking studies of phytocompounds from Artemisia monosperma against ERK2 kinase in lung cancer. J. Mol. Chem. 2023, 3 (2), 591. [Link]

  38. A.S.M. Shokhba, M.A.E.-D. A. Omran, M.A. Abdel-Rahman, N.S. El-Shenawy. Oxidative-Stress and Hematological Alterations Induced by the Egyptian Naja nubiae Venom in Rats . Avicenna J. Med. Biochem. 2024, 12 (1), 1–9.
    Cites: Molecular mechanism facets of Oxidative stress mediated pathogenesis. J. Mol. Chem. 2023, 3 (2), 587.[Link]

  39. F.A. Al-Rawashde, L. Al-Omari, H.K.M. Saad, et al. Establishing the Role of Thymoquinone as Potential Inhibitor of Mutant Oncoproteins in FLT3/RAS/RAF/MEK/ERK Pathway against Acute Myeloid Leukemia. J. Med. Chem. Sci. 2024, 7 (11), 1511–1525.
    Cites: S.P. Gurjar, A. Gupta, A. Roy. Molecular docking studies of phytocompounds from Artemisia monosperma against ERK2 kinase in lung cancer. J. Mol. Chem. 2023, 3 (2), 591. [Link

  40. H. Regassa, R. Sharma, N.K. Upadhyay, D. Kumar. Evaluating the influence of extraction method on phytochemical profile, in vitro biological activity, and in silico validation of Brugmansia suaveolens. J. Indian Chem. Soc. 2024, 101 (11), 101454.
    Cites: Molecular docking and dynamic studies of novel phytoconstituents in an investigation of the potential inhibition of protein kinase C- beta II in diabetic neuropathy. J. Mol. Chem. 2023, 3 (2), 589. [Link]

  41. S.D. Al-Qahtani, G.M. Al-Senani. Novel hybrid motifs of 2-(2-pyridinyl)-1H-benzo[d]imidazole-1,2,3-triazole: Synthesis, anticancer assessment, and in silico study. J. Mol. Struct. 2024, 1318.
    Cites: Copper-catalyzed Click Chemistry for polyether-based dendronized multi-amphiphilic polymers and their applications. J. Mol. Chem. 2023, 3 (1), 583.[Link]

  42. D. Singh, R. Kharb, S.K. Sharma. Synthesis and Evaluation of Schiff’s Base Indole Derivatives Against Inflammation Induced by Carrageenan in Rats. Orient. J. Chem. 2024, 40 (1), 102–110. (WoS)
    Cites: Pyrazole derivatives affinity to Estrogen receptor Alpha for breast cancer treatment evaluation using molecular docking. J. Mol. Chem. 2023, 3 (2), 590.[Link]

  43. N. Khan, M. Khushtar, M.A. Rahman, M. Kaish, M. Ajmal. Amelioration of gastric ulcer using a hydro-alcoholic extract of Mangifera indica in Sprague Dawley rats by prevention of muco-oxidative stress. Pharmacol. Res. - Mod. Chinese Med. 2024, 11, 100442.
    Cites: Molecular mechanism facets of Oxidative stress mediated pathogenesis. J. Mol. Chem. 2023, 3 (2), 587.[Link]

  44. H. Regassa, R. Sharma, N.K. Upadhyay, D. Kumar. Evaluating the influence of extraction method on phytochemical profile, in vitro biological activity, and in silico validation of Brugmansia suaveolens. J. Indian Chem. Soc. 2024, 101 (11), 101454.
    Cites: Molecular docking and dynamic studies of novel phytoconstituents in an investigation of the potential inhibition of protein kinase C- beta II in diabetic neuropathy. J. Mol. Chem. 2023, 3 (2), 589.  [Link]

  45. L. Saikia, S.A.A. Barbhuiya, K. Saikia, P. Kalita, P.P. Dutta. Therapeutic Potential of Quercetin in Diabetic Neuropathy and Retinopathy: Exploring Molecular Mechanisms. Curr. Top. Med. Chem. 2024, 24 (27), 2351–2361.
    Cites: Mechanistic investigation of Quercetin in the management of complications of Diabetes mellitus by Network Pharmacology. J. Mol. Chem. 2024, 4 (1), 684. [Link]

  46. D. Çevik, E.B. Yildirim, E. Güzelmeriç, E. Yeşilada. Inconsistency between declared versus determined transresveratrol and/or quercetin contents in food supplements. J. Res. Pharm. 2024, 28 (6), 2078 – 2091.
    Cites: Antioxidant activity of synergistic quercetin resveratrol. J. Mol. Chem. 2023, 3 (1), 581. [Link]

  47. R. Singla, S. Kamboj, J. Chaudhary, R. Singh. Mechanistic investigation of quercetin in the management of diabetic foot ulcer by network pharmacology and molecular docking. Pharmacol. Res. - Mod. Chinese Med. 2024, 10.
    Cites: Mechanistic investigation of Quercetin in the management of complications of Diabetes mellitus by Network Pharmacology. J. Mol. Chem. 2024, 4 (1), 684. [Link]

  48. S. Singh, S. Sharma. ß-Carbolines as Antibacterial Agents: Synthesis and Biological Study. ß-Carbolines A Privil. Scaffold Mod. Drug Discov. 2024, 52–81. CRC Press.
    Cites: In silico screening and molecular docking study of quinoline based compounds with Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative receptor target for potential antibacterials. J. Mol. Chem. 2023, 3 (1), 585. [Link]

  49. M. Khajehlandi, L. Bolboli. The Role of Quercetin and Exercise in Modulating Apoptosis and Cardiomyopathy via PI3K/AKT/FOXO3 Pathways in Diabetic Obese Rats. Cell J. 2024, 26 (9), 559 – 568.
    Cites: Mechanistic investigation of Quercetin in the management of complications of Diabetes mellitus by Network Pharmacology. J. Mol. Chem. 2024, 4 (1), 684. [Link]

  50. L. Saikia, S.A.A. Barbhuiya, K. Saikia, P. Kalita, P.P. Dutta. Therapeutic Potential of Quercetin in Diabetic Neuropathy and Retinopathy: Exploring Molecular Mechanisms. Curr. Top. Med. Chem. 2024, 24 (27), 2351 – 2361.
    Cites: Mechanistic investigation of Quercetin in the management of complications of Diabetes mellitus by Network Pharmacology. J. Mol. Chem. 2024, 4 (1), 684. [Link]

    2023

  51. C. Pal. Redox modulating small molecules having antimalarial efficacy. Biochem. Pharmacol. 2023, 218, 115927.
    Cites: Molecular mechanism facets of Oxidative stress mediated pathogenesis. J. Mol. Chem. 2023, 3 (2), 587.[Link]

  52. S. Sifontes-Rodríguez, S. Meneses-Gómez, A.R. Escalona-Montaño, et al. PubChem BioAssays 1063: A poorly exploited source of new antileishmanial compounds. December 27, 2023. Preprint on Research Square.
    Cites: In silico screening and molecular docking study of quinoline based compounds with Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative receptor target for potential antibacterials. J. Mol. Chem. 2023, 3 (1), 585. [Link]

  53. chinmay pal. Synthesis of novel iron chelating and heme-interacting acridone derivatives to prevent free heme- and ironmediated protein oxidation. Int. J. Med. Biochem. 2023, 150–158.
    Cites: Molecular mechanism facets of Oxidative stress mediated pathogenesis. J. Mol. Chem. 2023, 3 (2), 587.[Link]

  54. K. Saini, S. Sharma. Nanomedicine’s transformative impact on anti-diabetic drug discovery: an appraisal. J. Nanoparticle Res. 2023, 25 (11), 227.
    Cites: Recent advances in Mass Spectrometry: An appraisal of fundamentals and applications. J. Mol. Chem. 2023, 3 (1), 584.[Link]

 

 

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Last updated on: 10-Oct-2025