Publications (87) JESUS VICENTE DE JULIAN ORTIZ publications

2025

  1. Synergistic synthesis and computational analysis of novel indazole-2-Pyrone hybrids: Toxicity, Hirshfeld surface insights, and antiviral potential against HIV-1 and Coronaviruses

    Journal of Molecular Structure, Vol. 1321

2024

  1. A New Hyaluronic Emulgel of Hesperetin for Topical Application—An In Vitro Evaluation

    Journal of Functional Biomaterials, Vol. 15, Núm. 4

  2. A review on the structural characterization of nanomaterials for nano-QSAR models

    Beilstein Journal of Nanotechnology, Vol. 15, pp. 854-866

  3. Elucidating the mechanism and selectivity of [3 + 2] cycloaddition: a DFT and molecular docking investigation of the reaction of 6-butoxy-5,6-dihydro-4H-1,2-oxazine 2-oxide with dimethyl maleate

    Structural Chemistry

  4. Exploring the synthesis and application of a pyrazole derivative in corrosion protection: Theoretical modeling and experimental investigations

    Journal of Molecular Structure, Vol. 1312

  5. Molecular docking, expounding the chemo-, regio-selectivity, and the mechanism of [3 + 2] cycloloaddition reaction between nitrile-imine and (thio)-chalcone

    Monatshefte fur Chemie, Vol. 155, Núm. 7, pp. 697-707

  6. Synthesis, X-ray analysis, and antiviral evaluation of allohimachalol: Insights into stereoselectivity in epoxidation

    Journal of Molecular Structure, Vol. 1305

  7. Theoretical insight into the mechanism and selectivity of the [3 + 2] cycloaddition reaction of N-methyl-1-phenylmethanimine oxide and bicyclopropylidene from the MEDT perspective

    Structural Chemistry, Vol. 35, Núm. 2, pp. 541-551

2023

  1. A New Mathematical Model for the Characterization of Viscosity Variations in the Aqueous Solutions of Monoalcohols and Polyalcohols

    Journal of Solution Chemistry, Vol. 52, Núm. 10, pp. 1107-1116

  2. Application of SSIR Method for the Design of Fungicides

    Applied Sciences (Switzerland), Vol. 13, Núm. 2

  3. Diastereoselective green synthesis of pyrrolo[1,2-a]quinolines via [3+2] cycloaddition reaction: insights from molecular electron density theory

    Theoretical Chemistry Accounts, Vol. 142, Núm. 12

  4. Intranasal Drug Administration in Alzheimer-Type Dementia: Towards Clinical Applications

    Pharmaceutics, Vol. 15, Núm. 5

  5. Investigation of the molecular mechanism and diastereoselectivity in the [3 + 2] cycloaddition reaction between acetonitrile oxide and Cis-3,4-Dichlorocyclobutene: Insights from MEDT and docking study

    Computational and Theoretical Chemistry, Vol. 1228

  6. Unveiling the Stereoselectivity and Regioselectivity of the [3+2] Cycloaddition Reaction between N-methyl-C-4-methylphenyl-nitrone and 2-Propynamide from a MEDT Perspective

    International Journal of Molecular Sciences, Vol. 24, Núm. 10

2022

  1. A Physical Cognitive Assistant for Monitoring Hand Gestures Exercises

    Bio-inspired Systems and Applications: from Robotics to Ambient Intelligence: 9th International Work-Conference on the Interplay Between Natural and Artificial Computation, IWINAC 2022, Puerto de la Cruz, Tenerife, Spain, May 31 – June 3, 2022, Proceedings, Part II (Springer Suiza), pp. 13-23

  2. Nanoliposomes in Cancer Therapy: Marketed Products and Current Clinical Trials

    International Journal of Molecular Sciences, Vol. 23, Núm. 8

  3. Similarity-Based Virtual Screening to Find Antituberculosis Agents Based on Novel Scaffolds: Design, Syntheses and Pharmacological Assays

    International Journal of Molecular Sciences, Vol. 23, Núm. 23

  4. Visualización del Número de Avogadro

    Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 14, pp. 89-105

2021

  1. Computational Tools for the Assessment and Substitution of Biocidal Active Substances of Ecotoxicological Concern: The LIFE-COMBASE Project

    Chemometrics and Cheminformatics in Aquatic Toxicology (wiley), pp. 527-546

2020

  1. Computational evaluation and in vitro validation of new epidermal growth factor receptor inhibitors

    Current Topics in Medicinal Chemistry, Vol. 20, Núm. 18, pp. 1624-1635