يعرض 1 - 18 نتائج من 18 نتيجة بحث عن '"De Oliveira Neto, João G."', وقت الاستعلام: 0.76s تنقيح النتائج
  1. 1
    Academic Journal
    Structural Design, H-Bonding Interactions, Vibrational Properties, Periodic-DFT Calculations, and Antibacterial Activity of a Nicotinamide Cocrystal Using Tetradecanoic Acid as a Coformer

    المؤلفون: de Oliveira Neto, João G., Souza Junior, Marinaldo V., Ayala, Alejando P., Nogueira, Carlos E. S., Souto, Eliana B., dos Santos, Adenilson O., de Sousa, Francisco F.

    المساهمون: Fundação de Amparo à Pesquisa e ao Desenvolvimento Científico e Tecnológico do Maranhão, Ministério da Ciência, Tecnologia e Inovação, Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, C. E. S. Nogueira would like to thank the LaFiCA(Laboratório de Física Computacional) - URCA for granting access to their computer facilities

    المصدر: Crystal Growth & Design ; volume 24, issue 22, page 9810-9823 ; ISSN 1528-7483 1528-7505

    الاتاحة: http://dx.doi.org/10.1021/acs.cgd.4c01324
    https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.4c01324

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  2. 2
    Academic Journal
    Antibacterial [Zn(nicotinamide)2Cl2] complex for the treatment of skin conditions: An experimental-theoretical study of physicochemical, microbiological and in silico pharmacokinetic properties

    المؤلفون: de Oliveira Neto, João G., Rodrigues, Jéssica A.O., Viana, Jailton R., Barros, Jaqueline D.S., Lage, Mateus R., de Sousa, Francisco F., Dutra, Richard P., Souto, Eliana B., dos Santos, Adenilson O.

    المساهمون: Fundação de Amparo à Pesquisa e ao Desenvolvimento Científico e Tecnológico do Maranhão, Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, Melville Charitable Trust, Conselho Nacional de Desenvolvimento Cientifico e Tecnologico, Fundação para a Ciência e a Tecnologia

    المصدر: Journal of Molecular Liquids ; volume 403, page 124846 ; ISSN 0167-7322

    الاتاحة: http://dx.doi.org/10.1016/j.molliq.2024.124846
    https://api.elsevier.com/content/article/PII:S0167732224009024?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0167732224009024?httpAccept=text/plain

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  3. 3
    Academic Journal
    Molecular spectroscopy, solvent effect, and DFT studies of azithromycin solvate

    المؤلفون: Rodrigues, Jéssica A.o., Da Silva, Carliana R., Lima, Antonio D.s.g., De Oliveira Neto, João G., Bordallo, Heloisa N., Antonino, Rayane S.c.m.q., Lage, Mateus R., Dos Santos, Adenilson O., De Sousa, Francisco F.

    المصدر: Rodrigues , J A O , Da Silva , C R , Lima , A D S G , De Oliveira Neto , J G , Bordallo , H N , Antonino , R S C M Q , Lage , M R , Dos Santos , A O & De Sousa , F F 2025 , ' Molecular spectroscopy, solvent effect, and DFT studies of azithromycin solvate ' , Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , vol. 325 , 125057 . https://doi.org/10.1016/j.saa.2024.125057

    الاتاحة: https://researchprofiles.ku.dk/da/publications/molecular-spectroscopy-solvent-effect-and-dft-studies-of-azithromycin-solvate(a8d73892-4ad8-491c-b27c-84068e085e1b).html
    https://doi.org/10.1016/j.saa.2024.125057

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  4. 4
    Academic Journal
    A new coamorphous ethionamide with enhanced solubility: Preparation, characterization, in silico pharmacokinetics, and controlled release by encapsulation

    المؤلفون: de Oliveira Neto, João G., Bezerra, Raychiman D.S., Domingos, Francisco N.B., Lima, Antonio D.S.G., Souto, Eliana B., Lage, Mateus R., da Silva, Luzeli M., dos Santos, Adenilson O.

    المساهمون: CAPES, UCD, Fundação de Amparo à Pesquisa e ao Desenvolvimento Científico e Tecnológico do Maranhão, Conselho Nacional de Desenvolvimento Científico e Tecnológico, FAPEMAT

    المصدر: International Journal of Pharmaceutics ; volume 670, page 125159 ; ISSN 0378-5173

    الاتاحة: https://doi.org/10.1016/j.ijpharm.2024.125159
    https://api.elsevier.com/content/article/PII:S0378517324013930?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0378517324013930?httpAccept=text/plain

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  5. 5
    Academic Journal
    Temperature-Induced Phase Transformations in Tutton Salt K 2 Cu(SO 4) 2 (H 2 O) 6 : Thermoanalytical Studies Combined with Powder X-Ray Diffraction.

    المؤلفون: de Oliveira Neto, João G., Santos, Ronilson S., Abreu, Kamila R., da Silva, Luzeli M., Lang, Rossano, dos Santos, Adenilson O.

    المصدر: Physchem; Dec2024, Vol. 4 Issue 4, p458-469, 12p

    مصطلحات موضوعية: X-ray powder diffraction, HEAT storage, SALT crystals, MELTING points, CRYSTAL growth


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  6. 6
    Academic Journal
    New polymorphic phase of arachidic acid crystal: structure, intermolecular interactions, low-temperature stability and Raman spectroscopy combined with DFT calculations

    المؤلفون: Cardoso, Luanny M. B., de Oliveira Neto, João G., Saraiva, Gilberto D., Leite, Fábio F., Ayala, Alejandro P., dos Santos, Adenilson O., de Sousa, Francisco F.

    المساهمون: Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, Fundação de Amparo à Pesquisa e ao Desenvolvimento Científico e Tecnológico do Maranhão, Conselho Nacional de Desenvolvimento Científico e Tecnológico

    المصدر: RSC Advances ; volume 13, issue 48, page 34032-34044 ; ISSN 2046-2069

    الاتاحة: http://dx.doi.org/10.1039/d3ra05388a
    http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA05388A

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  7. 7
    Academic Journal
    Tutton salt (NH4)2Zn(SO4)2(H2O)6: thermostructural, spectroscopic, Hirshfeld surface, and DFT investigations.

    المؤلفون: de Oliveira Neto, João G.1 (AUTHOR), Viana, Jailton R.1 (AUTHOR), Abreu, Kamila R.1 (AUTHOR), da Silva, Luiz F. L.2 (AUTHOR), Lage, Mateus R.1 (AUTHOR) mateus.lage@ufma.br, Stoyanov, Stanislav R.3 (AUTHOR) stanislav.stoyanov@nrcan-rncan.gc.ca, de Sousa, Francisco F.1,4 (AUTHOR), Lang, Rossano5 (AUTHOR), dos Santos, Adenilson O.1 (AUTHOR)

    المصدر: Journal of Molecular Modeling. Oct2024, Vol. 30 Issue 10, p1-17. 17p.

    مصطلحات موضوعية: *HEAT storage, *ELECTRONIC band structure, *X-ray powder diffraction, *AMMONIUM salts, *CRYSTAL lattices


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  8. 8
    Academic Journal
    Tutton K2Zn(SO4)2(H2O)6 salt: Structural-vibrational properties as a function of temperature and ab initio calculations

    المؤلفون: de Oliveira Neto, João G., de O. Carvalho, Jhonatam, Marques, Jacivan V., dos S. Souza, Gislayllson D., da Silva, Luiz F.L., de Sousa, Francisco F., F. Façanha Filho, Pedro, dos Santos, Adenilson O., Lang, Rossano

    المساهمون: Fundação de Amparo à Pesquisa e ao Desenvolvimento Científico e Tecnológico do Maranhão, Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, Conselho Nacional de Desenvolvimento Científico e Tecnológico

    المصدر: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy ; volume 306, page 123611 ; ISSN 1386-1425

    الاتاحة: http://dx.doi.org/10.1016/j.saa.2023.123611
    https://api.elsevier.com/content/article/PII:S1386142523012969?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S1386142523012969?httpAccept=text/plain

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  9. 9
    Academic Journal
    Assessing the Novel Mixed Tutton Salts K 2 Mn 0.03 Ni 0.97 (SO 4) 2 (H 2 O) 6 and K 2 Mn 0.18 Cu 0.82 (SO 4) 2 (H 2 O) 6 for Thermochemical Heat Storage Applications: An Experimental–Theoretical Study.

    المؤلفون: de Oliveira Neto, João G.1 (AUTHOR), Viana, Jailton R.1 (AUTHOR), Lima, Antonio D. da S. G.1 (AUTHOR), Lopes, Jardel B. O.1 (AUTHOR), Ayala, Alejandro P.2 (AUTHOR), Lage, Mateus R.1,3 (AUTHOR) mateus.lage@ufma.br, Stoyanov, Stanislav R.4 (AUTHOR) mateus.lage@ufma.br, dos Santos, Adenilson O.1 (AUTHOR), Lang, Rossano5 (AUTHOR)

    المصدر: Molecules. Dec2023, Vol. 28 Issue 24, p8058. 19p.

    مصطلحات موضوعية: *THERMODYNAMICS, *COPPER, *RESIDENTIAL heating systems, *FRONTIER orbitals, *THERMOCHEMISTRY, *DIFFERENTIAL thermal analysis, *HEAT storage

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  10. 10
    Academic Journal
    Structural, Vibrational, Thermal, and Cytotoxic Characterization of Aqua(1,10‐Phenanthroline)(L‐Serinato)Copper(II) Nitrate Complex Combined with DFT Calculations.

    المؤلفون: Ramos, Marina C.1 (AUTHOR), de Oliveira Neto, João G.1 (AUTHOR), Nogueira, Carlos E. S.2 (AUTHOR), Reis, Aramys S.1 (AUTHOR), de Sousa, Francisco F.3 (AUTHOR), da Silva, Luzeli M.1 (AUTHOR), dos Santos, Adenilson O.1 (AUTHOR) adenilson.santos@ufma.br

    المصدر: Crystal Research & Technology. Dec2023, Vol. 58 Issue 12, p1-10. 10p.

    مصطلحات موضوعية: *COLORECTAL cancer, *DENSITY functional theory, *INFRARED spectroscopy, *NITRATES, *COPPER compounds


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  11. 11
    Academic Journal
    Synthesis, physicochemical properties, and antitumor cytotoxic activity of the Mg(II) coordination complex containing 1,10-phenanthroline and sulfate ligands

    المؤلفون: de Oliveira Neto, João G., Viana, Jailton R., Butarelli, Ana L.A., dos Santos, Ana P.A., Lage, Mateus R., dos Santos, Adenilson O.

    المصدر: Inorganica Chimica Acta ; volume 556, page 121658 ; ISSN 0020-1693

    الاتاحة: http://dx.doi.org/10.1016/j.ica.2023.121658
    https://api.elsevier.com/content/article/PII:S0020169323002839?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0020169323002839?httpAccept=text/plain

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  12. 12
    Academic Journal
    Kröhnkite-type K2Mn(SO4)2(H2O)2 double salt: synthesis, structure, and properties

    المؤلفون: de Oliveira Neto, João G., Lang, Rossano, Rodrigues, Jéssica A. O., Gutiérrez, Carlos E. O., Murillo, Manuel A. R., de Sousa, Francisco F., Filho, José G. Silva, dos Santos, Adenilson O.

    المساهمون: Conselho Nacional de Desenvolvimento Científico e Tecnológico

    المصدر: Journal of Materials Science ; volume 57, issue 17, page 8195-8210 ; ISSN 0022-2461 1573-4803

    الاتاحة: http://dx.doi.org/10.1007/s10853-022-07188-7
    https://link.springer.com/content/pdf/10.1007/s10853-022-07188-7.pdf
    https://link.springer.com/article/10.1007/s10853-022-07188-7/fulltext.html

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  13. 13
    Academic Journal
    Antitumor neodymium(III) complex with 1,10-phenanthroline and nitrate ligands: A comprehensive experimental-theoretical study, in silico pharmacokinetic and cytotoxic properties.

    المؤلفون: de Oliveira Neto, João G.1 (AUTHOR), Viana, Jailton R.1 (AUTHOR), Abreu, Kamila R.1 (AUTHOR), Butarelli, Ana L.A.2 (AUTHOR), dos Santos, Ana P.A.2 (AUTHOR), Lage, Mateus R.1,3 (AUTHOR), de Sousa, Francisco F.1,4 (AUTHOR), Souto, Eliana B.1,5,6 (AUTHOR) eliana.souto@ucd.ie, dos Santos, Adenilson O.1 (AUTHOR) adenilson.santos@ufma.br

    المصدر: Journal of Molecular Structure. Feb2025:Part 4, Vol. 1321, pN.PAG-N.PAG. 1p.

    مصطلحات موضوعية: *X-ray powder diffraction, *CRYSTAL lattices, *UNIT cell, *DENSITY functional theory, *BLOOD-brain barrier


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  14. 14
    Academic Journal
    Dichloro-bis(theophylline)-copper(II) complex: Characterization of the physicochemical, computational pharmacokinetics, molecular docking, and cytotoxicity as potential antitumoral medicine.

    المؤلفون: de Oliveira Neto, João G.1 (AUTHOR), Viana, Jailton R.1 (AUTHOR), Souza Júnior, Marinaldo V.1 (AUTHOR), Queiroz, Luis H.S.1 (AUTHOR), Reis, Aramys S.1 (AUTHOR), Lage, Mateus R.1,2 (AUTHOR), Souto, Eliana B.1,3,4 (AUTHOR) eliana.souto@ucd.ie, de Sousa, Francisco F.1,5 (AUTHOR) ffs@ufpa.br, dos Santos, Adenilson O.1 (AUTHOR)

    المصدر: Polyhedron. Dec2024, Vol. 264, pN.PAG-N.PAG. 1p.

    مصطلحات موضوعية: *DIFFERENTIAL thermal analysis, *MOLECULAR orbitals, *X-ray powder diffraction, *BIOLOGICAL assay, *VOIDS (Crystallography)


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  15. 15
    Academic Journal
    Mixed (NH4)2Mn0.47Cu0.53(SO4)2(H2O)6 Tutton salt: A novel optical material for solar-blind technology.

    المؤلفون: de Oliveira Neto, João G.1 (AUTHOR), Marques, Jacivan V.1 (AUTHOR), da Silva Filho, José G.2 (AUTHOR), Antonelli, Eduardo3 (AUTHOR), Ayala, Alejandro P.4 (AUTHOR), dos Santos, Adenilson O.1 (AUTHOR), Lang, Rossano1,3 (AUTHOR) rossano.lang@unifesp.br

    المصدر: Optical Materials. Nov2024:Part 3, Vol. 157, pN.PAG-N.PAG. 1p.

    مصطلحات موضوعية: *LIGHT filters, *CRYSTAL filters, *OPTICAL materials, *COPPER, *CRYSTAL lattices


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  16. 16
    Academic Journal
    Crystallographic, intermolecular interactions, vibrational, and computational studies of a new cocrystal of decanoic acid and nicotinamide.

    المؤلفون: de Oliveira Neto, João G.1 (AUTHOR), Viana, Jailton R.1 (AUTHOR), Ayala, Alejandro P.2 (AUTHOR), Nogueira, Carlos E.S.3 (AUTHOR), de Oliveira, Mauro M.4 (AUTHOR), dos Santos, Adenilson O.1 (AUTHOR), de Sousa, Francisco F.1,5 (AUTHOR) ffs@ufpa.br

    المصدر: Journal of Molecular Structure. Nov2024, Vol. 1315, pN.PAG-N.PAG. 1p.

    مصطلحات موضوعية: *DECANOIC acid, *DENSITY functional theory, *HYDROGEN bonding, *UNIT cell, *INTERMOLECULAR interactions


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  17. 17
    Academic Journal
    Kröhnkite-type K2Mn(SO4)2(H2O)2 double salt: synthesis, structure, and properties.

    المؤلفون: de Oliveira Neto, João G., Lang, Rossano, Rodrigues, Jéssica A. O., Gutiérrez, Carlos E. O., Murillo, Manuel A. R., de Sousa, Francisco F., Filho, José G. Silva, dos Santos, Adenilson O.

    المصدر: Journal of Materials Science; May2022, Vol. 57 Issue 17, p8195-8210, 16p, 1 Black and White Photograph, 4 Diagrams, 4 Charts, 5 Graphs

    مصطلحات موضوعية: DOUBLE salts, CRYSTALLINE electric field, MIXED crystals, BAND gaps, PERTURBATION theory


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  18. 18
    Academic Journal
    Structural and spectroscopic properties, solvation effects, intermolecular interactions, and biological assays of a Mn(II)-complex with 1,10-phenanthroline and chloro ligands.

    المؤلفون: de Souza Junior, Marinaldo V.1 (AUTHOR), de Oliveira Neto, João G.1 (AUTHOR) joao.gon@ufma.br, Viana, Jailton R.1 (AUTHOR), Dutra, Richard P.2 (AUTHOR), Lage, Mateus R.1 (AUTHOR), dos Santos, Adenilson O.1 (AUTHOR), de Sousa, Francisco F.1,3 (AUTHOR) ffs@ufpa.br

    المصدر: Vibrational Spectroscopy. Jul2024, Vol. 133, pN.PAG-N.PAG. 1p.

    مصطلحات موضوعية: *BIOLOGICAL assay, *INTERMOLECULAR interactions, *SOLVATION, *MONOCLINIC crystal system, *X-ray powder diffraction


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