Search Results - "Neto, João G."

Assessing the Novel Mixed Tutton Salts K2Mn0.03Ni0.97(SO4)2(H2O)6 and K2Mn0.18Cu0.82(SO4)2(H2O)6 for Thermochemical Heat Storage Applications: An Experimental–Theoretical Study by de Oliveira Neto, João G., Viana, Jailton R., Lima, Antonio D. da S. G., Lopes, Jardel B. O., Ayala, Alejandro P., Lage, Mateus R., Stoyanov, Stanislav R., dos Santos, Adenilson O., Lang, Rossano

“…In this paper, novel mixed Tutton salts with the chemical formulas K2Mn0.03Ni0.97(SO4)2(H2O)6 and K2Mn0.18Cu0.82(SO4)2(H2O)6 were synthesized and studied as…”
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Synthesis, electronic and vibrational properties, solvation effects, ADME and cytotoxic assay of aqua-(1,10-phenanthroline)-tyrosinato-copper(II) nitrate dihydrate complex: experimental and theoretical studies by Pereira, Walajhone O., Oliveira Neto, João G., Viana, Jailton R., Carvalho, Guilherme G. C., Pessoa, Claudia, Lage, Mateus R., Reis, Aramys S., de Sousa, Francisco F., dos Santos, Adenilson O.

“…The present work reports the antitumor activity and a comprehensive study of the Cu(II) complex with 1,10-phenanthroline and l -tyrosine, synthesized by slow…”
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New polymorphic phase of arachidic acid crystal: structure, intermolecular interactions, low-temperature stability and Raman spectroscopy combined with DFT calculations by 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

“…Saturated monocarboxylic fatty acids with long carbon chains are organic compounds widely used in several applied fields, such as energy production, thermal…”
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Crystal growth, crystal structure determination, and computational studies of a new mixed (NH4)2Mn1–xZnx(SO4)2(H2O)6 Tutton salt by Neto, João G. Oliveira, Viana, Jailton R., Lopes, Jardel B. O., Lima, Antonio D. S. G., Sousa, Marcus L., Lage, Mateus R., Stoyanov, Stanislav R., Lang, Rossano, Santos, Adenilson O.

“…Tutton salts have been extensively explored in recent decades due to their attractive physical and chemical properties, which make them potential candidates…”
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Crystalline Films of L‐Threonine Complexed with Copper (II) Dispersed in a Galactomannan Solution: A Structural, Vibrational, and Thermal Study by Oliveira Neto, João G., Cavalcante, Lincoln A., Gomes, Eduardo S., Dos Santos, Adenilson O., Sousa, Francisco F, Mendes, Fernando, Macêdo, Ana Angélica M

“…The study's aim was to synthesize a crystalline film formed by L‐threonine crystals complexed with Cu2+ ions (LTCu) dispersed in a galactomannan (Gal) solution…”
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Structural, Vibrational, Thermal, and Cytotoxic Characterization of Aqua(1,10‐Phenanthroline)(L‐Serinato)Copper(II) Nitrate Complex Combined with DFT Calculations by Ramos, Marina C., Oliveira Neto, João G., Nogueira, Carlos E. S., Reis, Aramys S., Sousa, Francisco F., Silva, Luzeli M., dos Santos, Adenilson O.

“…In this study, X‐ray diffraction confirms the crystallization of aqua(1,10‐phenanthroline)(L‐serinato)copper(II) nitrate in the triclinic system (P‐1). Density…”
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Tutton salt (NH4)2Zn(SO4)2(H2O)6: thermostructural, spectroscopic, Hirshfeld surface, and DFT investigations by de Oliveira Neto, João G., Viana, Jailton R., Abreu, Kamila R., da Silva, Luiz F. L., Lage, Mateus R., Stoyanov, Stanislav R., de Sousa, Francisco F., Lang, Rossano, dos Santos, Adenilson O.

“…Context Ammonium Tutton salts have been widely studied in recent years due to their thermostructural properties, which make them promising compounds for…”
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Physicochemical properties calculated using DFT method and changes of 5-methyluridine hemihydrate crystals at high temperatures by Carvalho, Jhonatam O., Oliveira Neto, João G., Silva Filho, José G., de Sousa, Francisco F., Freire, Paulo T.C., Santos, Adenilson O., Façanha Filho, Pedro F.

“…[Display omitted] •5-methyluridine hemihydrate (5 mU) crystals were obtained by slow evaporation method.•Properties and vibrational spectra calculated by DFT…”
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Tutton K2Zn(SO4)2(H2O)6 salt: Structural-vibrational properties as a function of temperature and ab initio calculations by 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

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Exploring Thermal Stability, Vibrational Properties, and Biological Assessments of Dichloro(l‑histidine)copper(II): A Combined Theoretical and Experimental Study by Abreu, Kamila R., Viana, Jailton R., Oliveira Neto, João G., Dias, Tatielle G., Reis, Aramys S., Lage, Mateus R., da Silva, Luzeli M., de Sousa, Francisco F., dos Santos, Adenilson O.

“…Dichloro­(l-histidine)­copper­(II) crystal ([Cu­(l-His)­Cl2] complex) was obtained by the slow evaporation method and characterized concerning its thermal…”
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Comprehensive analysis of the electronic, thermodynamic, and spectroscopic properties of a Cu(II)-based complex with 1,10-phenanthroline and L-glutamine by Souza Junior, Marinaldo V., Oliveira Neto, João G., Pereira, Walajhone O., Rodrigues, Jéssica A.O., Viana, Jailton R., Reis, Aramys S., Lage, Mateus R., Carvalho, Guilherme G.C., Pessoa, Cláudia O., Santos, Adenilson O. dos, Sousa, Francisco F. de

“…This study reports additional information's of geometric, electronic, thermodynamic, and vibrational properties of a Cu(II) complex with 1,10-phenanthroline…”
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Structural Design, H-Bonding Interactions, Vibrational Properties, Periodic-DFT Calculations, and Antibacterial Activity of a Nicotinamide Cocrystal Using Tetradecanoic Acid as a Coformer by 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.

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Synthesis, physicochemical properties, and antitumor cytotoxic activity of the Mg(II) coordination complex containing 1,10-phenanthroline and sulfate ligands by de Oliveira Neto, João G., Viana, Jailton R., Butarelli, Ana L.A., dos Santos, Ana P.A., Lage, Mateus R., dos Santos, Adenilson O.

“…[Mg(H2O)3(phen)(SO4)] complex was synthesized and its structural, chemical, electronic, thermal, and vibrational properties were studied and properly…”
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Framework for data-driven polymer characterization from infrared spectra by Neto, João G., Simon, Douglas A., Figueiredo, Karla, Brandão, Amanda L.T.

“…Automating infrared spectra interpretation in microplastic identification is of interest since most current methodologies are conducted manually or…”
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Antitumor neodymium(III) complex with 1,10-phenanthroline and nitrate ligands: A comprehensive experimental-theoretical study, in silico pharmacokinetic and cytotoxic properties by de Oliveira Neto, João G., Viana, Jailton R., Abreu, Kamila R., Butarelli, Ana L.A., dos Santos, Ana P.A., Lage, Mateus R., de Sousa, Francisco F., Souto, Eliana B., dos Santos, Adenilson O.

“…•Tris(nitrate-O,O')-bis(1,10-phenanthroline-N,N')-neodymium(III) was synthesized.•Thermal stability of [Nd(Phen)2(NO3)3] complex up to 300ºC was…”
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Evaluation of mixed Tutton salts (NH4K)MII(SO4)2(H2O)6, (MII = Co or Ni) and their corresponding Langbeinite phases as thermochemical heat storage materials: Dehydration/hydration behavior and reversibility of structural phase transformation by Lopes, Jardel Bruno de O., Oliveira Neto, João G., dos Santos, Adenilson O., Lang, Rossano

“…In this paper, (NH4K)MII(SO4)2(H2O)6 (MII = Co or Ni) mixed Tutton salts and their corresponding K2MII2(SO4)3 Langbeinite phases are synthesized and…”
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Dichloro-bis(theophylline)-copper(II) complex: Characterization of the physicochemical, computational pharmacokinetics, molecular docking, and cytotoxicity as potential antitumoral medicine by de Oliveira Neto, João G., Viana, Jailton R., Souza Júnior, Marinaldo V., Queiroz, Luis H.S., Reis, Aramys S., Lage, Mateus R., Souto, Eliana B., de Sousa, Francisco F., dos Santos, Adenilson O.

“…[Display omitted] A dichloro-bis(theophylline)-copper(II) complex, named [Cu(theo)2Cl2], was synthesized, with the aim to characterize its physicochemical and…”
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Structural, vibrational, thermal, and optical properties of L-threonine crystals containing Ce3+ ions by Neto, João G. Oliveira, Neto, Otávio C. Silva, Pedrochi, Franciana, Steimacher, Alysson, Filho, José G. Silva, de Sousa, Francisco F., Silva, Luzeli M., Santos, Adenilson O.

“…•L-threonine crystals with Ce3+ impurity.•Structural, vibrational, thermal and optical properties.•Ce3+ ions promote a slight expansion in the unit cell…”
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Antibacterial [Zn(nicotinamide)2Cl2] complex for the treatment of skin conditions: An experimental-theoretical study of physicochemical, microbiological and in silico pharmacokinetic properties by 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.

“…[Display omitted] •[Zn(NA)2Cl2] complex, with monoclinic symmetry (P21/a) was successfully crystallized;•Solvation effect on structural and thermodynamic…”
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Exploring the Diversity and Dehydration Performance of New Mixed Tutton Salts (K2V1−xM’x(SO4)2(H2O)6, Where M’ = Co, Ni, Cu, and Zn) as Thermochemical Heat Storage Materials by João G de Oliveira Neto, Marques, Jacivan V, dos Santos, Jayson C, dos Santos, Adenilson O, Lang, Rossano

“…Tutton salts form an isomorphic crystallographic family that has been intensively investigated in recent decades due to their attractive thermal and optical…”
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