Pesquisa e Inovação · Publicações
Publicações
Produção científica do INCT-Defesa
- 143. RAMIREZ, Paula et al. Catalytic Strategies For the Synthesis of Dehydrozingerone: Structural Features and Emerging Applications—A Critical Review. ChemCatChem, v. 18, n. 1, p. e01663, 2026.
- 142. MORÁVKOVÁ, J. et al. Microwave-Aided Nitration of Phenol with Inorganic Nitrates: Inquiry-Based Learning Experiments. Chemistry-Didactics-Ecology-Metrology, v. 29, n. 1-2, p. 65-83, 2025.
- 141. DOLEZAL, R. Computational Analysis of the Fully Activated Orexin Receptor 2 across Various Thermodynamic Ensembles with Surface Tension Monitoring and Markov State Modeling. The Journal of Physical Chemistry B, v. 129, n. 7, p. 1976-1996, 2025.
- 140. LINHA, Z. et al. White Matter Hyperintensities and Their Spatial Relationship to Mild Behavioral Impairment: Insights from Cluster-Based Analysis. Alzheimer's & Dementia, v. 21, p. e102637, 2025.
- 139. DOLEZAL, R. et al. Predictive Modelling of Transformed NPI-Q Scores Using Region-and Surface-Based Morphometry of MRI-PET-FDG Images in Healthy Controls. Alzheimer's & Dementia, v. 21, p. e103555, 2025.
- 138. NIEUWLAND, C. et al. Urea Hydrogen-Bond Donor Strengths: Bigger Is Not Always Better. Physical Chemistry Chemical Physics, v. 27, n. 8, p. 4099-4108, 2025.
- 137. BAERENDS, E. J. et al. The Amsterdam Modeling Suite. Journal of Chemical Physics, v. 162, n. 16, p. 1-47, 162501, 2025.
- 136. BEUTICK, S. E. et al. Organodichalcogenide Structure and Stability: Hierarchical Ab Initio Benchmark and DFT Performance Study. Journal of Computational Chemistry, v. 46, n. 14, p. 1-13, e70142, 2025.
- 135. TIEKINK, E. H. et al. Organocatalyzed Diels-Alder Reactions: Unexplored Hydrogen Bond Donor Catalysts. ChemPlusChem, v. 90, n. 6, p. 1-7, e202500081, 2025.
- 134. SATHEESH, S. et al. Bismuth Meets Olefins: Ethylene Activation and Reversible Alkene Insertion into Bi-N Bonds. Angewandte Chemie International Edition, v. 64, n. 26, p. 1-6, e202505434, 2025.
- 133. VERMEEREN, P. et al. Understanding the SN2 Versus E2 Competition. Chemistry – A European Journal, v. 31, n. 41, p. 1-8, e202501810, 2025.
- 132. KRISHNA, A. et al. Substituent Effects on Sulfur Phenolate Exchange Reactions: Reactivity and Bonding Analysis. Chemistry – A European Journal, v. 31, n. 62, p. 1-10, e026, 2025.
- 131. MITCHELL, E. C. et al. Hydrogen Bond Benchmark: Focal-Point Analysis and Assessment of DFT Functionals. Journal of Computational Chemistry, v. 46, n. 30, p. 1-15, e70265, 2025.
- 130. CARDEAL DOS SANTOS, André Nogueira et al. Computational Profiling of Monoterpenoid Phytochemicals: Insights for Medicinal Chemistry and Drug Design Strategies. International Journal of Molecular Sciences, v. 26, n. 16, p. 7671, 2025.
- 129. ORENHA, Renato P. et al. Solvation-Driven Self-Assembly of Polyetheramine-Epoxide Gels: Insights from Molecular Simulations. ACS Polymers Au, v. 6, n.1, 2025.
- 128. COSTA, Luciano T.; BORGES JR., Itamar; MOTHÉ ESTEVES, Pierre. Centenário da Mecânica Quântica. Revista Virtual de Química, v. 17, p. 731-732, 2025.
- 127. GHOSH, Amar et al. Photophysical, thermodynamic and molecular docking studies on the comparative binding interaction of biosynthesized silver nanoparticles with homologous serum proteins: a comprehensive analysis of the interaction mechanisms at both the molecular and nanoscale levels. Physical Chemistry Chemical Physics, v. 27, p. 20557-20576, 2025.
- 126. PANNEERSELVAM, Murugesan et al. Theoretical Insights into ESIPT and GSIPT in Schiff Base Cu(II)-BSSMO Complexes: Substituent Effects Explored via DFT, Molecular Docking, and Dynamics Simulations for Optoelectronic and Biomedical Applications. ACS Omega, v. 10, n. 46, p. 55628-55651, 2025.
- 125. HARIBABU, Jebiti et al. Optimizing Nickel Complex With Thiosemicarbazone for Viral (SARS-CoV-2) Applications and Cancer Therapy: Synthesis, DFT Calculations, Molecular Docking, Molecular Dynamics Simulations, and Anticancer Activity. Applied Organometallic Chemistry, v. 39, p. e70346, 2025.
- 124. HUNGARO FARIA, Marcus Vinícius et al. Estudio In Silico del Nilotinib como Posible Inhibidor de la Proteasa Principal Mpro del SARS-CoV-2. Ciência et Praxis (Online), v. 20, p. 141-164, 2025.
- 123. NATHIYA, Singaravel et al. A theoretical investigation of heavy atom and oxidation effects in MR-TADF emitters for OLEDs: a combined DFT, double hybrid DFT, CCSD, and QM/MM approaches. Physical Chemistry Chemical Physics, v. 27, p. 1, 2025.
- 122. CASTAÑEDA-VALENCIA, Gloria et al. Methodological Approach Based on Structural Parameters, Vibrational Frequencies, and MMFF94 Bond Charge Increments for Platinum-Based Compounds. ACS Omega, v. 10, p. 8314-8335, 2025.
- 121. GASQUES, Larissa de Souza et al. Computational Methods as Screening Tool for Triazole Natural Products Derivatives as Potential β-Tubulin Inhibitors for Fusarium graminearum. Orbital: The Electronic Journal of Chemistry, p. 322-338, 2025.
- 120. LYRIO, Marcos Valério Vieira et al. LC-ESI(±)-LTQ MS-Based Metabolomic Profiling of Coffee: Fragmentation Pathways for Identification of Major Polar Compounds. Journal of the American Society for Mass Spectrometry, v. 36, n. 6, p. 1213-1226, 2025.
- 119. CASSANI, Lais Sperandio et al. Inclusion Complex of Origanum vulgare Volatile Oil with β-Cyclodextrin Enhances Its Fasciolicidal Efficacy. Brazilian Journal of Pharmacognosy, v. 35, n. 2, p. 397-411, 2025.
- 118. SOARES VANNY, Alberto; GONÇALVES, Arlan da Silva. Quantum chemical studies of carbon-based graphene-like nanostructures: from benzene to coronene. Journal of Molecular Modeling, v. 31, p. 70, 2025.
- 117. ALMEIDA, A. P. G. et al. Effects of adding copper to bismuth titanate for photocatalytic hydrogen production. Ceramics International, v. 4, p. 5199, 2025.
- 116. OLIVEIRA, R. C. de et al. Investigating the stability of chalcone (2E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-prop-2-en-1-one by Raman spectroscopy and computational calculations at high pressure. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, v. 331, p. 125771, 2025.
- 115. MACHADO NETTO, Antonio et al. Optimization of Biochar Synthesis from Cosmetic Industry Sludge for Enhanced Removal of Enrofloxacin. Journal of the Brazilian Chemical Society, v. 36, p. e-20250097, 2025.
- 114. FRANCO, C. A. et al. Synthesis and in vitro Activity of Hypofuran B and Analogs Against Plasmodium falciparum and Trypanosoma cruzi. ChemMedChem, v. 1, p. e202500719, 2025.
- 113. LIMA, Catarina P. V. et al. Monobactams update on Aztreonam and prospects for development of new drugs. Brazilian Journal of Health and Biomedical Sciences, v. 24, p. 38, 2025.
- 112. MACIEL, T. T. et al. Effect of Thermal Stress on the Cuticular Chemical Composition of the Amazonian Social Wasp Polybia rejecta (Fabricius, 1798). Diversity, v. 17, p. 766, 2025.
- 111. CASTRO, Gabriel Abranches Dias et al. Green Synthesis of Hantzsch Dihydropyridines from Biorenewable Furans Derived from Lignocellulosic Biomass. European Journal of Organic Chemistry, v. 28, p. e202500278, 2025.
- 110. SOUZA, E. V. C. C. et al. Morphology and Volatilomics of the Pre-Pharyngeal and Pharyngeal Glands of Paraponera clavata (Hymenoptera: Paraponerinae) and Pachycondyla crassinoda (Hymenoptera: Ponerinae) Workers. Journal of Morphology, v. 286, p. e70038, 2025.
- 109. MANOEL, Evelin A. et al. An Accessible Continuous Flow Procedure for the Enantioselective Desymmetrization of a Key Precursor of Bioactive Inositol Derivatives. ChemistrySelect, v. 10, p. 1-7, 2025.
- 108. TEIXEIRA, Jonatã Barbosa et al. Interaction of the naphthalene-induced catalysis and leaching of magnetite: insights on acid fracturing for oil and gas recovery efficiency. Journal of Petroleum Exploration and Production Technology, v. 15, p. 138, 2025.
- 107. FAJARDO, Humberto V. et al. Investigation on the structure-activity relationship and the role of peroxo groups on the TiO2 surface in thioanisole oxidation with hydrogen peroxide. Materials Science and Engineering B: Advanced Functional Solid-State Materials, v. 315, p. 118103, 2025.
- 106. FREITAS, Victor Augusto Araújo de et al. Synthesis of Fe-zeolites from Amazonian kaolinite for methylene blue removal: adsorption and photocatalytic activity. Dalton Transactions, v. 1, p. 1-1, 2025.
- 105. OLIVEIRA, Luiz et al. Antitumor Activity and Selectivity of a Nanostructured Peroxo Polyoxoniobate. Journal of Materials Chemistry B, v. 1, p. 1, 2025.
- 104. OLIVEIRA, Cinthia C. et al. Carbon-Free Fungicide for Sustainable Agriculture: An Efficient Niobium Compound against Foliar Fungi. ACS Agricultural Science & Technology, v. 1, p. 1-1, 2025.
- 103. MESSINA, Cynthia et al. A Modular and Regioselective Synthesis of Di- and Triarylated Thiophenes: Strategies for Accessing Challenging Isomeric Motifs. Journal of Organic Chemistry, v. 90, p. 15595-15611, 2025.
- 102. SALGADO, Jacqueline Roberta et al. Tracking Bacillus anthracis: The Legacy of MALDI-TOF Biomarkers in Scientific Literature, a Review. ACS Omega, v. 11, n. 1, p. 229-238, 2025.
- 101. LEICHTWEIS, K. et al. Exploring the Impact of 3-O-Methylquercetin on Wnt/β-Catenin Pathway Activity and Its Potential in Neural Processes. Pharmaceuticals, v. 18, p. 1680, 2025.
- 100. VORIS, Diego G. R. et al. Microsynthesis, mass spectrometry data and acetylcholinesterase inhibition studies of carbamates related to the OPCW 1.A.16 Scheduled Chemicals. Chemico-Biological Interactions, p. 111698, 2025.
- 99. DE SOUZA, Arthur R. et al. Unveiling the Absolute Configuration of Diarylheptanoid Hirsutanonol: Going Beyond Optical Rotations. Journal of the Brazilian Chemical Society, v. 36, p. 1-8, 2025.
- 98. SANTOS, Taináh M. R.; GONÇALVES, Mateus A.; RAMALHO, T. C. Quantum Mechanics in Biomolecular Simulations: Benefits and Cost-Reduction Strategies for Integrated QM/MM Approaches. Revista Virtual de Química, v.17, n. 6, p. 846-851, 2025.
- 97. TAVARES, Camila A. et al. Investigation of Interactions Between the Protein MPro and the Vanadium Complex VO(metf)2-H2O: A Computational Approach for COVID-19 Treatment. Biophysica, v. 5, p. 4, 2025.
- 96. LARA, Carolinny Fernandes et al. Selenium biofortification of Tropaeolum majus L. Bragantia, v. 84, p. e20240256, 2025.
- 95. DUTTA, S. K. et al. Phosphorus Management with Triple Super Phosphate? A Way Forward for Sustainable Agriculture in India. Indian Journal of Fertilizers, v. 21, p. 1310-1317, 2025.
- 94. EVANGELISTA, Maisa Natália Leite et al. Priming Effect of Seeds with Niobium (Nb) on the Performance of Maize Plants Under Water Deficit Conditions. Plants, v. 14, p. 3173, 2025.
- 93. SHARMA, Shailja et al. Barium distribution, dynamics and fate in terrestrial and aquatic environments. Environmental Research, p. 123059, 2025.
- 92. ALVARENGA, Ingrid Fernanda Santana et al. Eco(geno)toxicologic effects of arsenic-contaminated tropical soils: plant bioassays via the microplate approach. Ecotoxicology, v. 34, n. 10, p. 2085-2100, 2025.
- 91. BORGHI, Edinei José Armani et al. Foliar selenium application mitigates stress induced by El Niño-Southern Oscillation (ENSO) and enhances conilon coffee yield. Plant and Soil, v. 517, n. 2, p. 1475-1493, 2025.
- 90. QUISPE, Anyela Pierina Vega et al. Seedling Priming with Selenium Enhances the Biofortification Strategies in the Production of Broccoli Florets. Agronomy-Basel, v. 15, p. 2207, 2025.
- 89. CIPRIANO, Patríciani Estela et al. Foliar Fertilization for Biofortification of Grain Sorghum with Selenium. Journal of Food Composition and Analysis, p. 108169, 2025.
- 88. SANTANA AMORIM, Helen Carla et al. Ammonia Losses, Wheat Biomass, and N Dynamics as Influenced by Organo-Mineral Fertilizer. Biosphere, v. 1, p. 4, 2025.
- 87. GARLET, Luana Paula et al. The Fate of Potassium in Southern Brazilian Vineyards. Journal of Soil Science and Plant Nutrition, v. 25, n. 3, p. 6494-6507, 2025.
- 86. MORAIS, Kamila Lobato et al. Foliar fertilization with zinc in reproductive stages of soybean cultivars for grain biofortification. Scientia Agricola, v. 82, p. e20240191, 2025.
- 85. NAMORATO, Filipe Aiura et al. Responses to the Interaction of Selenium and Zinc Through Foliar Fertilization in Processed Grains of Brazilian Upland Rice Genotypes. Agriculture, v. 15, p. 1186, 2025.
- 84. ANANIAS, Soraya Bamberg et al. Selenium compartmentalization in arbuscular mycorrhizal fungi associated with brachiaria grass. Ciência e Agrotecnologia, v. 49, p. e022224, 2025.
- 83. MILAGRES, Carlos Henrique et al. Effects of Foliar Application of Selenium and Iodine on Chemical and Sensory Characteristics of Blackberry and Raspberry Fruits. Proceedings of the Florida State Horticultural Society, v. 136, p. 8, 2025.
- 82. ARMANI BORGHI, Edinei José et al. Simultaneous Biofortification with Selenium and Zinc: Ionic Interaction and its Effects on Rice Production. Communications in Soil Science and Plant Analysis, v. 56, n. 14, p. 2119-2133, 2025.
- 81. PIERINA VEGA QUISPE, Anyela et al. Priming effect with selenium and iodine on broccoli seedlings: Activation of biochemical mechanisms to mitigate cold damages. Plant Physiology and Biochemistry, v. 223, p. 109876, 2025.
- 80. GARCÍA PORRAS, Gina Alexandra et al. Addressing Cadmium in Cacao Farmland: A Path to Safer, Sustainable Chocolate. Agriculture, v. 15, p. 433, 2025.
- 79. MORAIS, E. G. et al. Rapid Adsorption of Ammonium on Coffee Husk and Chicken Manure-Derived Biochars: Mechanisms Unveiled by Chemical Speciation, Physical, and Spectroscopic Approaches. Sustainability, v. 17, n. 4, p. 1616, 2025.
- 78. NAMORATO, Filipe Aiura et al. Selenium Biofortification with Se-Enriched Urea and Se-Enriched Ammonium Sulfate Fertilization in Different Common Bean Genotypes. Agronomy, v. 15, p. 440, 2025.
- 77. DA COSTA, Marcela Vieira et al. Fast, in situ, and eco-friendly determination of Mn in plant leaves using portable X-ray fluorescence spectrometry for agricultural and environmental applications. Environmental Monitoring and Assessment, v. 197, p. 227, 2025.
- 76. PELEGRINO, Marcelo Henrique Procópio et al. Optimizing soil texture spatial prediction in the Brazilian Cerrado: Insights from random forest and spectral data. Geoderma Regional, v. 40, p. e00922, 2025.
- 75. DE CARVALHO, Mariana Rocha et al. Drought tolerance: a perspective about leaf venation and the role of auxin. Theoretical and Experimental Plant Physiology, v. 37, n. 1, p. 11, 2025.
- 74. RIBEIRO, Paula Godinho et al. Environmental and human health risk assessment of potentially toxic elements in rehabilitating iron mine lands in the Brazilian Amazon. Journal of Environmental Management, v. 374, p. 124059, 2025.
- 73. BOCOLI, F. A. et al. Can environmental variables, high sampling density and machine learning deliver detailed maps of soil organic carbon and carbon stock in tropical regions? Catena, v. 249, p. 108718, 2025.
- 72. BORGO, Lucélia et al. Impact of Drought, Heat, Excess Light, and Salinity on Coffee Production: Strategies for Mitigating Stress Through Plant Breeding and Nutrition. Agriculture, v. 15, p. 9, 2025.
- 71. BENEDITO, Shayani Kimberly et al. Zinc determination in common beans by pXRF: An easy and versatile calibration strategy applied to biofortification studies. Journal of Food Composition and Analysis, v. 137, p. 106851, 2025.
- 70. SILVA, Fernanda Magno et al. Proximal sensing characterization of polygenetic soils variability in Brazil. Geoderma, v. 453, p. 117137, 2025.
- 69. DE FARIA, Adriana C.; DA CUNHA, Elaine F. F.; FREITAS, Matheus P. Molecular Modeling Study and Proposition of Novel Diaryl Ether Derivatives as Protoporphyrinogen Oxidase Inhibitors. Agricultural Research, v. 14, p. 761–771, 2025.
- 68. FREITAS, Matheus P. Difluorinated Cyclohexanes: Energetics and Intra- and Intermolecular Interactions. ChemPhysChem, v. 26, p. 202500648, 2025.
- 67. FREITAS, Matheus P. Exploring the Helical Structure in Ethylene Oxides: Beyond Steric and Related Effects. ChemPhysChem, v. 26, p. e202500458, 2025.
- 66. FREITAS, Matheus P. Exploring the conformation of the difluoromethyl motif in sulfentrazone and related PPO inhibitors. Journal of Fluorine Chemistry, v. 285–286, p. 110461, 2025.
- 65. DE FARIA, Ingrid V. Pereira; DA CUNHA, Elaine F. F.; FREITAS, Matheus P. Exploring the antibacterial potential of 1,3,4-oxadiazoles against Xanthomonas axonopodis pv. citri in citrus species through molecular modeling. Journal of Plant Pathology, v. 107, p. 873–882, 2025.
- 64. CAPUCHO, L. R.; DA CUNHA, E. F. F.; FREITAS, M. P. Three-Dimensional Structure Prediction of HPPD Enzyme in Agricultural Crops Using Homology Modeling. Tropical Plant Biology, v. 18, p. 54, 2025.
- 63. FREITAS, Matheus P. Exploring the Preference for Tertiary Substrates in E2 Reactions: Beyond Transition State Stability. Journal of Chemical Education, v. 102, p. 2177–2180, 2025.
- 62. FARIA, A. C. et al. In silico design of benzothiazole and phthalimide-derived hybrids as protoporphyrinogen IX oxidase inhibitors. SAR and QSAR in Environmental Research, v. 36, p. 287–303, 2025.
- 61. PEREIRA, I. V. et al. QSAR and machine learning-driven proposition of novel 1,3,4-oxadiazoles and structure-based studies of their antibacterial activities against Xanthomonas oryzae. Theoretical Chemistry Accounts, v. 144, p. 19, 2025.
- 60. LAGO, Aline de Fátima Silva et al. Green coffee extract increases the functional and sensory appeal of brownie. Journal of Food Bioactives, v. 32, p. 37–43, 2025.
- 59. PEREIRA, Letícia Fagundes et al. Comparative Assessment of the Chemical Composition of Locally Cultivated and Imported (Humulus lupulus L.) in Brazil Using Chemometrics. ACS Food Science & Technology, v. 5, n. 12, p. 4529-4539, 2025.
- 58. DA SILVA ARAUJO, Elesandra et al. Tannins from Amazonian tree barks as potential natural antioxidants: An alternative to synthetic phenolic compounds. International Journal of Biological Macromolecules, v. 323, p. 147148, 2025.
- 57. REIRE, Carolina Salles et al. Comparative Evaluation of the Volatile Profile of the Essential Oil, the Hydrolate and the Plant Material from Origanum vulgare subsp. virens Grown in Portugal. Foods, v. 14, n. 24, p. 4175, 2025.
- 56. SILVA, Luiz Daniel Rodrigues da et al. Sugarcane variety as a determinant of agro-industrial performance and physicochemical quality in pot still cachaça production. Ciência e Agrotecnologia, v. 49, p. e009925, 2025.
- 55. DIQUE, Elsa Alexandre Guimarães et al. Avaliação dos parâmetros físico-químicos de aguardentes obtidas por fermentação com farelo de milho da Província de Inhambane em Moçambique. Research, Society and Development, v. 14, n. 7, p. e3214749106, 2025.
- 54. CARDOSO, M. G. et al. Quantification of the cyanogen Dhurrin at high levels in sugar cane varieties and its correlation as a precursor of ethyl carbamate in cachaças. Australian Journal of Crop Science, v. 19, p. 737–747, 2025.
- 53. DE SOUZA, Luciano et al. Insecticidal activity and morphophysiological disturbances of terpenes and phenylpropanoids poly(ε-caprolactone) nanoparticles in Drosophila suzukii and selectivity to Palmistichus elaeisis. Journal of Pest Science, v. 98, n. 4, p. 2287-2305, 2025.
- 52. RIBEIRO, Jenifer Caroline Silva et al. Alpha- and beta-pinene alter the morphology of oocytes in Rhipicephalus microplus ticks (Acari: Ixodidae). Veterinary Parasitology, v. 337, p. 110507, 2025.
- 51. DE SOUZA, Luciano et al. Synergism, biochemical changes and morphophysiological impacts induced by terpenes and phenylpropanoids in Sitophilus zeamais. Pesticide Biochemistry and Physiology, v. 213, p. 106475, 2025.
- 50. ABRANTES, Ana Paula et al. Polycyclic aromatic hydrocarbons and physicochemical analysis of cachaça packaged in polyethylene terephthalate (PET). Journal of the Institute of Brewing, v. 131, n.1 , 2025.
- 49. SIMIONI, Síntia Carla Corrêa et al. Amazonian wood chips as a strategy to change the sensory and chemical characteristics of cachaça. Food Science and Technology, v. 45, 2025.
- 48. FREIRE, C. S. et al. Antifungal and antiocratoxigenic effects of the essential oils of Rosmarinus officinalis and Callistemon viminalis on fungi of the genus Aspergillus. Australian Journal of Crop Science, v. 19, p. 10–17, 2025.
- 47. DA ROSA, Sttela Dellyzete Veiga Franco et al. Allelopathic activity of coffee extracts: implications for germination and initial growth in select weeds and polyploidy in Lactuca sativa L. Journal of Toxicology and Environmental Health Part A, v. 88, p. 250–262, 2025.
- 46. OLIVEIRA, Cassia Duarte et al. Development and characterization of pectin films containing nanoemulsions of the essential oil from Thymus vulgaris for preserving salami. Food Chemistry, v. 471, p. 142786, 2025.
- 45. COELHO, Nayane Pereira Freire et al. Effects of coffee husk biochar on the properties of concrete. Construction and Building Materials, v. 491, p. 142680, 2025.
- 44. MENDES, Juliana Farinassi et al. Jerivá (Syagrus romanzoffiana) Fruit Fibers Valorization as Cellulose and Lignocellulose Nanofibers Source for Nanopaper Production. International Journal of Biological Macromolecules, v. 1, p. 143905, 2025.
- 43. KUČA, Kamil; KIMTA, N.; PETER, L. Global Burden of Fungal Infections and Medicinal Plant-Based Treatments. Cham, Switzerland, 2025.
- 42. KUMAR, Harsh et al. Future Prospects of Nanosensors in Health Sectors. In: Nanosensors in Biomedical Technology. Singapore: Springer, 2025.
- 41. RAGHUVANSHI, Komal et al. Exploring the Role of mTOR Pathway in Aging and Age-Related Disorders. EXCLI Journal, v. 24, p. 992-1015, 2025.
- 40. KILLI, U. K. et al. Exploring the Biomedical Applications of Campsis radicans (Woody Vine): Integrating Traditional Wisdom and Contemporary Insights. Phytochemistry Reviews, v. 24, n. 4, p. 3101-3117, 2025.
- 39. KUMAR, Harsh et al. Emerging Prospects of Bacillus Species in Attaining the Sustainable Development Goals. Applied Microbiology and Biotechnology, v. 109, n. 1, p. 242, 2025.
- 38. KUMAR, Harsh et al. Dysbiosis Significantly Elevates the Probability of Altered Affective Function in Alzheimer Disease (AD). In: International Review of Neurobiology. San Diego: Elsevier Inc., 2025.
- 37. JACEVIC, Vesna et al. Determination of Paraoxonase Activity and Prooxidant-Antioxidant Balance in the Brain Tissue of Rats Following Subacute Administration of Different K-Oximes. Chemico-Biological Interactions, v. 416, p. 111539, 2025.
- 36. KUMAR, Harsh et al. Detection of Antibiotics in Meat and Meat-Based Products Using Immunosensors. In: Ensuring Wellness: Immunosensors Monitoring Food Quality and Pathogenicity Risks. Cham: Springer, 2025.
- 35. QIN, Zihui et al. Deoxynivalenol Induces Pyroptosis and IL-1β Secretion via P2X7R Signal in Murine RAW264.7 Macrophages. Toxicon, v. 263, Article 108418, 2025.
- 34. KHANAL, S. et al. Current Insights of the Potential Plant Bioactive Compounds on Modulating the mTOR Signaling Pathway in Regulating Oncological Disorders. Phytotherapy Research, v. 39, n. 9, p. 4046-4059, 2025.
- 33. GUPTA, Nidhi et al. Comparative Efficacy of Phytochemicals in Respiratory Health. In: Medicinal Plants and Their Bioactives in Human Diseases. Switzerland: Springer Nature, 2025.
- 32. YOU, Li et al. Circadian Rhythm in Mycotoxin-Induced Immunotoxicity: An Emerging Regulatory Axis? Frontiers in Pharmacology, v. 16, p. 1700863, 2025.
- 31. AMIR, A. et al. Association of BCHE Gene SNP rs1803274 (K-variant) and rs3495 with Obesity in Pakistani Population Group. International Journal of Obesity, v. 49, n. 5, p. 881-887, 2025.
- 30. KUMAR, Harsh et al. Applications of Antibody-Based Sensors in the Food Sector. In: Applications of Biosensors in Healthcare. London: Academic Press, 2025.
- 29. KUMAR, Harsh et al. Advances in the Concept of Functional Foods and Feeds: Applications of Cinnamon and Turmeric as Functional Enrichment Ingredients. Critical Reviews in Food Science and Nutrition, v. 65, n. 6, p. 1144-1162, 2025.
- 28. HONÓRIO, Amanda P. et al. Extracts from Tissue Cultures of Crotalaria spp. as Potential Natural Alternative for Controlling Root-Knot Nematodes. Journal of the Brazilian Chemical Society, v. 36, n. 5, p. e-20240227, 2025.
- 27. UZOKA, Ugonna Henry et al. Impact of Milk-Derived Microbial Transfer and 7-Epiclusianone on Pathogen Load in Goat Mastitis. Current Microbiology, v. 82, p. 566-579, 2025.
- 26. COURA, Marcela Ribeiro et al. Microfibrillated celluloses produced from kraft pulp of coffee parchment. Biomass Conversion and Biorefinery, v. 15, p. 12089-12103, 2025.
- 25. RIBEIRO, Rayssa et al. Molecular modelling of diterpene compounds from oleoresin as potential bioactive compounds against SARS-CoV-2: calculations of density functional theory and ADME-Tox properties. Natural Products Research, v. 1, p. 1-12, 2025.
- 24. BHATTACHARJEE, Surjit et al. Molecular docking and molecular dynamic simulation studies to identify potential isoquinoline alkaloid derivatives against chorismate synthase of Listeria monocytogenes. Computational and Structural Biotechnology Reports, v. 2, p. 100075, 2025.
- 23. NOGUEIRA, M. O. T. et al. Intercalative binding, light-switch behavior, and theoretical analysis of Ru(bpy)2dppz-BTDZ]2+: A thiadiazole-extended ruthenium(II) complex. Journal of Inorganic Biochemistry, v. 274, p. 113083, 2025.
- 22. BOTELHO, Fernanda et al. Theoretical investigation of covalent inhibitors targeting ricin. New Journal of Chemistry, v. 49, p. 13591-13606, 2025.
- 21. RIBEIRO, R. et al. Computational investigation of hardwickiic acid-derived amides using molecular docking and prediction of ADME/Tox properties as potential cholinesterase inhibitors. Chemico-Biological Interactions, v. 419, p. 111631, 2025.
- 20. SILVA, M. C. J. et al. In vitro evaluation of isatin-pyridine oxime hybrids as potential acetylcholinesterase inhibitors for nerve agent prophylaxis. Chemico-Biological Interactions, v. 418, p. 111605, 2025.
- 19. FERREIRA NETO, D. C. et al. Guanylhydrazone and semicarbazone derivatives as potential prototypes for the design of cholinesterase inhibitors against Alzheimer's disease: biological evaluation and molecular modeling studies. Chemico-Biological Interactions, v. 415, p. 111515, 2025.
- 18. FRANCA, T. C. C. et al. SI/II Pocket of Ras: An Opportunity for a Once 'Undruggable' Target. ACS Omega, v. 10, p. 9463-9473, 2025.
- 17. BERNARDO, L. B. et al. In silico studies and in vitro evaluation of isatin-pyridine oxime hybrids as novel reactivators of acetylcholinesterase inhibited by an A-230 surrogate. Archives of Toxicology, v. 99, p. 2225-2228, 2025.
- 16. SILVA, R. S. F. et al. Investigating Cholagogue and Choleretic Activity of Peumus boldus. Química Nova, v. 48, p. e-20250091, 2025.
- 15. SANTOS, Taináh M. R. et al. Exploring the potential of vanadium(IV) complex in autophagy activation: structural modifications, NMR calculations, and novel interactions with PI3Kγ. Journal of Molecular Modeling, v. 31, p. 344-356, 2025.
- 14. NOGUEIRA, Artur G. et al. Novel Activators of the Transcription Factor PPARγ for Beef Quality through Molecular Modeling. ACS Omega, v. 10, p. 57578-57591, 2025.
- 13. GARCIA, Danielle R. et al. Solar Cell Innovation: Exploring Third-Generation Photovoltaics Using Compounds From Biomass and Plastic Waste Copyrolysis Analyzed via DFT and TD-DFT Methodologies. Journal of Chemistry, v. 2025, p. 2-15, 2025.
- 12. BARBOZA, João Antonio Tavares et al. Polyethyleneimine-Modified Biosorbent Based on Banana Pseudostem Biomass for Environmental Remediation and Food Analysis. Advanced Sustainable Systems, v. 9, p. e00760, 2025.
- 11. ANDOLPHO, Gustavo A.; RAMALHO, Teodorico C. Intramolecular Pnictogen Bonds as Key Determinants for NMR Quantum Computation Parameters. ACS Omega, v. 10, p. 44201-44209, 2025.
- 10. DE CASTRO, Alexandre A. et al. Nanoparticles and bioactive materials against COVID-19 and its variants: Hints from a computational-materials design perspective. Computers in Biology and Medicine, v. 197, p. 111046, 2025.
- 9. FERRAZ, G. E. et al. Genome-wide characterization of invertases in Arabica coffee and its progenitors reveals putative genes involved in fruit development. Functional & Integrative Genomics, v. 25, p. 152, 2025.
- 8. RESENDE, Laís Sousa et al. Alterations in EPSPS Enzyme Active Site: Changes in Position and Reduced Interaction Energy Contributing to Glyphosate Resistance in Amaranthus hybridus. Plant Physiology and Biochemistry, v. 227, p. 110164, 2025.
- 7. DA SILVA, Beatriz A. L. et al. Mechanistic Investigation of the Synthesis of 5-Arylthiol-Substituted 2,1,3-Benzofurazan Using Pd(Pro)2 as Catalyst. ChemistrySelect, v. 10, p. e04349, 2025.
- 6. SOUSA, Marcos Antônio et al. Influence of Magnetic Field on Atrazine Adsorption and Degradation by Ferroxite and Hematite. Magnetism, v. 5, p. 11, 2025.
- 5. GONÇALVES, Mateus Aquino et al. Molecularly Imprinted Polymer-Supported Ceramic Catalysts for Environmental Applications: A Comprehensive Review. Ceramics-Switzerland, v. 8, p. 53, 2025.
- 4. DE CASTRO, Alexandre A. et al. Molecular Modeling Insights on the Pharmaceuticals and Hypotheses of Alzheimer’s Disease. Current Medicinal Chemistry, v. 32, p. 5110-5138, 2025.
- 3. REIS, Aline Chaves et al. Exposure to trans-anethole impairs reproduction and inhibits glutathione-S-transferase (GST) in engorged Rhipicephalus microplus female ticks (Acari: Ixodidae). Pesticide Biochemistry and Physiology, v. 212, p. 106435, 2025.
- 2. LIMA, Juliana M. E. et al. 1-MCP Triggering Coffee Anthesis and Its Effects on Binding Affinity and Gene Expression of Different Ethylene Receptors. Journal of Plant Growth Regulation, v. 44, p. 731-747, 2025.
- 1. SANTOS, Rodrigo M.; RAMALHO, T. C. Molecular Dynamics-Assisted Interaction Between HABT and PI3K Enzyme: Exploring Metastable States for Promising Cancer Diagnosis Applications. Journal of Computational Chemistry, v. 46, n. 8, p. e70080, 2025.