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Artigo de periodico
NMR and X-ray diffraction conformational study of guanidines (2024)
Zampieri, Eduardo Henrique ; Anjos, Luana Ribeiro dos ; Santiago, Pedro Henrique de Oliveira ; Nascimento, Tainara Rosário da Silva ; Ellena, Javier ; González, Eduardo René Pérez
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, LEISHMANIA, DOENÇAS NEGLIGENCIADAS
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ZAMPIERI, Eduardo Henrique et al. NMR and X-ray diffraction conformational study of guanidines. Journal of Molecular Structure, v. No 2024, p. 138876-1-138876-10 + supplementary materials, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2024.138876. Acesso em: 16 ago. 2024.
APA
Zampieri, E. H., Anjos, L. R. dos, Santiago, P. H. de O., Nascimento, T. R. da S., Ellena, J., & González, E. R. P. (2024). NMR and X-ray diffraction conformational study of guanidines. Journal of Molecular Structure, No 2024, 138876-1-138876-10 + supplementary materials. doi:10.1016/j.molstruc.2024.138876
NLM
Zampieri EH, Anjos LR dos, Santiago PH de O, Nascimento TR da S, Ellena J, González ERP. NMR and X-ray diffraction conformational study of guanidines [Internet]. Journal of Molecular Structure. 2024 ; No 2024 138876-1-138876-10 + supplementary materials.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138876
Vancouver
Zampieri EH, Anjos LR dos, Santiago PH de O, Nascimento TR da S, Ellena J, González ERP. NMR and X-ray diffraction conformational study of guanidines [Internet]. Journal of Molecular Structure. 2024 ; No 2024 138876-1-138876-10 + supplementary materials.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138876
Artigo de periodico
Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties (2024)
França, Igor Vinicius de; Döring, Thiago Henrique ; Oliveira Neto, Francisco Martins de; Pedroso, Maria Júlia; Cruz Júnior, José Wilmo da
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: DOENÇA DE CHAGAS, TRYPANOSOMA CRUZI, FÁRMACOS, PLANEJAMENTO DE FÁRMACOS
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FRANÇA, Igor Vinicius de et al. Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties. Journal of Molecular Structure, v. 1314, p. 138725-1-138725-18, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2024.138725. Acesso em: 16 ago. 2024.
APA
França, I. V. de, Döring, T. H., Oliveira Neto, F. M. de, Pedroso, M. J., & Cruz Júnior, J. W. da. (2024). Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties. Journal of Molecular Structure, 1314, 138725-1-138725-18. doi:10.1016/j.molstruc.2024.138725
NLM
França IV de, Döring TH, Oliveira Neto FM de, Pedroso MJ, Cruz Júnior JW da. Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties [Internet]. Journal of Molecular Structure. 2024 ; 1314 138725-1-138725-18.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138725
Vancouver
França IV de, Döring TH, Oliveira Neto FM de, Pedroso MJ, Cruz Júnior JW da. Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties [Internet]. Journal of Molecular Structure. 2024 ; 1314 138725-1-138725-18.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138725
Artigo de periodico
Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering (2024)
Cocca, Leandro Henrique Zucolotto ; Valverde, João Victor Pereira; Bescont, Julie le; Breton-Patient, Chloé; Piguel, Sandrine ; Silva, Daniel Luiz da; Mendonça, Cleber Renato ; De Boni, Leonardo
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: ÓPTICA, FLUORESCÊNCIA, PROPRIEDADES ÓPTICAS DA SOLUÇÃO
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COCCA, Leandro Henrique Zucolotto et al. Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering. Journal of Molecular Structure, v. 1300, p. 137221-1-137221-9, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.137221. Acesso em: 16 ago. 2024.
APA
Cocca, L. H. Z., Valverde, J. V. P., Bescont, J. le, Breton-Patient, C., Piguel, S., Silva, D. L. da, et al. (2024). Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering. Journal of Molecular Structure, 1300, 137221-1-137221-9. doi:10.1016/j.molstruc.2023.137221
NLM
Cocca LHZ, Valverde JVP, Bescont J le, Breton-Patient C, Piguel S, Silva DL da, Mendonça CR, De Boni L. Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering [Internet]. Journal of Molecular Structure. 2024 ; 1300 137221-1-137221-9.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2023.137221
Vancouver
Cocca LHZ, Valverde JVP, Bescont J le, Breton-Patient C, Piguel S, Silva DL da, Mendonça CR, De Boni L. Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering [Internet]. Journal of Molecular Structure. 2024 ; 1300 137221-1-137221-9.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2023.137221
Artigo de periodico
Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork (2024)
Lima, Raíza F. X.; Oliveira, Danilo A.; Prado, Cássio R. A. do; Siqueira Jr, Josè R.; Deflon, Victor Marcelo ; Hagenbach, Adelhaid; Abram, Ulrich; Machado, Antonio E. da Hora; Bogado, André L.; Maia, Pedro I. S.
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: ISÔMERO, NÍQUEL
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LIMA, Raíza F. X. et al. Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork. Journal of Molecular Structure, v. 1295, p. 136738, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.136738. Acesso em: 16 ago. 2024.
APA
Lima, R. F. X., Oliveira, D. A., Prado, C. R. A. do, Siqueira Jr, J. R., Deflon, V. M., Hagenbach, A., et al. (2024). Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork. Journal of Molecular Structure, 1295, 136738. doi:10.1016/j.molstruc.2023.136738
NLM
Lima RFX, Oliveira DA, Prado CRA do, Siqueira Jr JR, Deflon VM, Hagenbach A, Abram U, Machado A E da H, Bogado AL, Maia PIS. Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork [Internet]. Journal of Molecular Structure. 2024 ;1295 136738.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136738
Vancouver
Lima RFX, Oliveira DA, Prado CRA do, Siqueira Jr JR, Deflon VM, Hagenbach A, Abram U, Machado A E da H, Bogado AL, Maia PIS. Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork [Internet]. Journal of Molecular Structure. 2024 ;1295 136738.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136738
Artigo de periodico
The free hydralazine anti-hypertensive drug and new salts with improved solubility (2023)
Firmino, Pollyana Pereira ; Santiago, Pedro Henrique de Oliveira; Silva, Cecília Carolina Pinheiro da ; Honorato, João ; Ellena, Javier
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: HIPERTENSÃO, PLANEJAMENTO DE FÁRMACOS, SOLUBILIDADE, CRISTALOGRAFIA
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FIRMINO, Pollyana Pereira et al. The free hydralazine anti-hypertensive drug and new salts with improved solubility. Journal of Molecular Structure, v. No 2023, p. 136075-1-136075-11, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.136075. Acesso em: 16 ago. 2024.
APA
Firmino, P. P., Santiago, P. H. de O., Silva, C. C. P. da, Honorato, J., & Ellena, J. (2023). The free hydralazine anti-hypertensive drug and new salts with improved solubility. Journal of Molecular Structure, No 2023, 136075-1-136075-11. doi:10.1016/j.molstruc.2023.136075
NLM
Firmino PP, Santiago PH de O, Silva CCP da, Honorato J, Ellena J. The free hydralazine anti-hypertensive drug and new salts with improved solubility [Internet]. Journal of Molecular Structure. 2023 ; No 2023 136075-1-136075-11.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136075
Vancouver
Firmino PP, Santiago PH de O, Silva CCP da, Honorato J, Ellena J. The free hydralazine anti-hypertensive drug and new salts with improved solubility [Internet]. Journal of Molecular Structure. 2023 ; No 2023 136075-1-136075-11.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136075
Artigo de periodico
Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity (2023)
Akinyemi, Amos Olalekan; Pereira, George Bueno Santana; Oliveira, Gabriela Porto de; Lima, Mauro Almeida; Rocha, Josias da Silveira; Costa, Vinicius Alves; Fortaleza, Dario Batista ; Teixeira, Tamara; Zanotti, Karine; Forim, Moacir Rossi ; Honorato, João ; Ellena, Javier ; Rocha, Fillipe Vieira
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: PALÁDIO, CITOTOXINAS, DNA, CRISTALOGRAFIA
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ABNT
AKINYEMI, Amos Olalekan et al. Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity. Journal of Molecular Structure, v. 1294, p. 136460-1-136460-14 + supplementary materials, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.136460. Acesso em: 16 ago. 2024.
APA
Akinyemi, A. O., Pereira, G. B. S., Oliveira, G. P. de, Lima, M. A., Rocha, J. da S., Costa, V. A., et al. (2023). Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity. Journal of Molecular Structure, 1294, 136460-1-136460-14 + supplementary materials. doi:10.1016/j.molstruc.2023.136460
NLM
Akinyemi AO, Pereira GBS, Oliveira GP de, Lima MA, Rocha J da S, Costa VA, Fortaleza DB, Teixeira T, Zanotti K, Forim MR, Honorato J, Ellena J, Rocha FV. Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity [Internet]. Journal of Molecular Structure. 2023 ; 1294 136460-1-136460-14 + supplementary materials.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136460
Vancouver
Akinyemi AO, Pereira GBS, Oliveira GP de, Lima MA, Rocha J da S, Costa VA, Fortaleza DB, Teixeira T, Zanotti K, Forim MR, Honorato J, Ellena J, Rocha FV. Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity [Internet]. Journal of Molecular Structure. 2023 ; 1294 136460-1-136460-14 + supplementary materials.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136460
Artigo de periodico
Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study (2023)
Lima, Benedicto Augusto Vieira ; Varela Junior, Jaldyr de Jesus Gomes ; Ellena, Javier ; Batista, Alzir Azevedo ; Silva, Alberico Borges Ferreira da ; Correa, Rodrigo de Souza
Source: Journal of Molecular Structure. Unidades: IFSC, IQSC
Subjects: RUTÊNIO, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)
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LIMA, Benedicto Augusto Vieira et al. Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study. Journal of Molecular Structure, v. 1282, p. 135234-1-135234-12, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135234. Acesso em: 16 ago. 2024.
APA
Lima, B. A. V., Varela Junior, J. de J. G., Ellena, J., Batista, A. A., Silva, A. B. F. da, & Correa, R. de S. (2023). Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study. Journal of Molecular Structure, 1282, 135234-1-135234-12. doi:10.1016/j.molstruc.2023.135234
NLM
Lima BAV, Varela Junior J de JG, Ellena J, Batista AA, Silva ABF da, Correa R de S. Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study [Internet]. Journal of Molecular Structure. 2023 ; 1282 135234-1-135234-12.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135234
Vancouver
Lima BAV, Varela Junior J de JG, Ellena J, Batista AA, Silva ABF da, Correa R de S. Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study [Internet]. Journal of Molecular Structure. 2023 ; 1282 135234-1-135234-12.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135234
Artigo de periodico
Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts (2023)
Oliveira, Carlos Henrique de Moura; Honorato, João ; Ellena, Javier ; Oliver, Josidel Conceição; Dias, Amanda Latercia Tranches; Caldas, Ivo Santana ; Doriguetto, Antônio Carlos
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: AGENTES ANTIMICROBIANOS, SULFONAMIDAS, SOLUBILIDADE, CRISTALOGRAFIA
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OLIVEIRA, Carlos Henrique de Moura et al. Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts. Journal of Molecular Structure, v. 1282, p. 135199-1-135199-15 + supplementary materials, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135199. Acesso em: 16 ago. 2024.
APA
Oliveira, C. H. de M., Honorato, J., Ellena, J., Oliver, J. C., Dias, A. L. T., Caldas, I. S., & Doriguetto, A. C. (2023). Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts. Journal of Molecular Structure, 1282, 135199-1-135199-15 + supplementary materials. doi:10.1016/j.molstruc.2023.135199
NLM
Oliveira CH de M, Honorato J, Ellena J, Oliver JC, Dias ALT, Caldas IS, Doriguetto AC. Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts [Internet]. Journal of Molecular Structure. 2023 ; 1282 135199-1-135199-15 + supplementary materials.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135199
Vancouver
Oliveira CH de M, Honorato J, Ellena J, Oliver JC, Dias ALT, Caldas IS, Doriguetto AC. Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts [Internet]. Journal of Molecular Structure. 2023 ; 1282 135199-1-135199-15 + supplementary materials.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135199
Artigo de periodico
Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation (2022)
Castro, Alexandre Alves de; Franco, Jefferson Honorio; Andrade, Adalgisa Rodrigues de ; Ramalho, Teodorico Castro
Source: Journal of Molecular Structure. Unidade: FFCLRP
Subjects: ETANOL, CATALISADORES, CÉLULAS A COMBUSTÍVEL, OXIDAÇÃO
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ABNT
CASTRO, Alexandre Alves de et al. Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation. Journal of Molecular Structure, v. 1268, p. 1-7, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.133682. Acesso em: 16 ago. 2024.
APA
Castro, A. A. de, Franco, J. H., Andrade, A. R. de, & Ramalho, T. C. (2022). Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation. Journal of Molecular Structure, 1268, 1-7. doi:10.1016/j.molstruc.2022.133682
NLM
Castro AA de, Franco JH, Andrade AR de, Ramalho TC. Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation [Internet]. Journal of Molecular Structure. 2022 ; 1268 1-7.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133682
Vancouver
Castro AA de, Franco JH, Andrade AR de, Ramalho TC. Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation [Internet]. Journal of Molecular Structure. 2022 ; 1268 1-7.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133682
Artigo de periodico
Mechanochemical synthesis and characterization of a novel AAs-Flucytosine drug-drug cocrystal: a versatile model system for green approaches (2022)
Carneiro, Renato L.; Melo, Cristiane C.; Alvarenga Jr, Benedito R.; Owoyemi, Bolaji C. Dayo; Ellena, Javier ; Silva, Cecília Carolina Pinheiro da
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: PLANEJAMENTO DE FÁRMACOS, CRISTALOGRAFIA, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)
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ABNT
CARNEIRO, Renato L. et al. Mechanochemical synthesis and characterization of a novel AAs-Flucytosine drug-drug cocrystal: a versatile model system for green approaches. Journal of Molecular Structure, v. 1251, p. 132052-1-132052-10, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.132052. Acesso em: 16 ago. 2024.
APA
Carneiro, R. L., Melo, C. C., Alvarenga Jr, B. R., Owoyemi, B. C. D., Ellena, J., & Silva, C. C. P. da. (2022). Mechanochemical synthesis and characterization of a novel AAs-Flucytosine drug-drug cocrystal: a versatile model system for green approaches. Journal of Molecular Structure, 1251, 132052-1-132052-10. doi:10.1016/j.molstruc.2021.132052
NLM
Carneiro RL, Melo CC, Alvarenga Jr BR, Owoyemi BCD, Ellena J, Silva CCP da. Mechanochemical synthesis and characterization of a novel AAs-Flucytosine drug-drug cocrystal: a versatile model system for green approaches [Internet]. Journal of Molecular Structure. 2022 ; 1251 132052-1-132052-10.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.132052
Vancouver
Carneiro RL, Melo CC, Alvarenga Jr BR, Owoyemi BCD, Ellena J, Silva CCP da. Mechanochemical synthesis and characterization of a novel AAs-Flucytosine drug-drug cocrystal: a versatile model system for green approaches [Internet]. Journal of Molecular Structure. 2022 ; 1251 132052-1-132052-10.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.132052
Artigo de periodico
Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis (2022)
Arenas, Laura Alejandra Rivas ; Paiva, Fernanda Cristina Rodrigues de ; Rossini, Nícolas de Oliveira． ; Li, Yanyan ; Spencer, Jonathan; Leadlay, Peter ; Dias, Marcio Vinicius Bertacine
Source: Journal of Molecular Structure. Unidade: ICB
Subjects: MICROBIOLOGIA, ANTIBIÓTICOS, AMINOGLICOSÍDEOS, GLUTAMATOS, HIDROGÊNIO, GLICOSÍDEOS, ATIVAÇÃO ENZIMÁTICA
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ABNT
ARENAS, Laura Alejandra Rivas et al. Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis. Journal of Molecular Structure, v. 1267, p. 1-10, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.133576. Acesso em: 16 ago. 2024.
APA
Arenas, L. A. R., Paiva, F. C. R. de, Rossini, N. de O. ．, Li, Y., Spencer, J., Leadlay, P., & Dias, M. V. B. (2022). Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis. Journal of Molecular Structure, 1267, 1-10. doi:10.1016/j.molstruc.2022.133576
NLM
Arenas LAR, Paiva FCR de, Rossini N de O．, Li Y, Spencer J, Leadlay P, Dias MVB. Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis [Internet]. Journal of Molecular Structure. 2022 ; 1267 1-10.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133576
Vancouver
Arenas LAR, Paiva FCR de, Rossini N de O．, Li Y, Spencer J, Leadlay P, Dias MVB. Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis [Internet]. Journal of Molecular Structure. 2022 ; 1267 1-10.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133576
Artigo de periodico
Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses (2022)
Fernandes, André G. de A; Viana, Rommel Bezerra ; Moreno-Fuquen, Rodolfo; Gatto, Claudia C; Lang, Ernesto S; Módolo, Marcelo; Silva, Amandha Kaiser da; Lemos, Sebastião S; Hagenbach, Adelheid; Abram, Ulrich ; Deflon, Victor Marcelo
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: DIFRAÇÃO POR RAIOS X, ELETRÔNICA
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ABNT
FERNANDES, André G. de A et al. Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses. Journal of Molecular Structure, v. 1250, n. 3, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131875. Acesso em: 16 ago. 2024.
APA
Fernandes, A. G. de A., Viana, R. B., Moreno-Fuquen, R., Gatto, C. C., Lang, E. S., Módolo, M., et al. (2022). Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses. Journal of Molecular Structure, 1250( 3). doi:10.1016/j.molstruc.2021.131875
NLM
Fernandes AG de A, Viana RB, Moreno-Fuquen R, Gatto CC, Lang ES, Módolo M, Silva AK da, Lemos SS, Hagenbach A, Abram U, Deflon VM. Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses [Internet]. Journal of Molecular Structure. 2022 ; 1250( 3):[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131875
Vancouver
Fernandes AG de A, Viana RB, Moreno-Fuquen R, Gatto CC, Lang ES, Módolo M, Silva AK da, Lemos SS, Hagenbach A, Abram U, Deflon VM. Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses [Internet]. Journal of Molecular Structure. 2022 ; 1250( 3):[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131875
Artigo de periodico
Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects (2022)
Santiago, Regis Tadeu ; Haiduke, Roberto Luiz Andrade
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: CINÉTICA QUÍMICA, GASES NOBRES
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ABNT
SANTIAGO, Regis Tadeu e HAIDUKE, Roberto Luiz Andrade. Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects. Journal of Molecular Structure, v. 1249, p. 131572, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131572. Acesso em: 16 ago. 2024.
APA
Santiago, R. T., & Haiduke, R. L. A. (2022). Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects. Journal of Molecular Structure, 1249, 131572. doi:10.1016/j.molstruc.2021.131572
NLM
Santiago RT, Haiduke RLA. Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects [Internet]. Journal of Molecular Structure. 2022 ; 1249 131572.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131572
Vancouver
Santiago RT, Haiduke RLA. Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects [Internet]. Journal of Molecular Structure. 2022 ; 1249 131572.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131572
Artigo de periodico
A preliminary assessment of pregabalin lactam mutagenicity and remarks on “An investigation of pregabalin lactamization process and effect of various pH on reaction: a computational insight” (2021)
Santos, Carlos E. Matos dos; Paiva, Fernanda Cristina Rodrigues de; Dorta, Daniel Junqueira ; Oliveira, Danielle Palma de
Source: Journal of Molecular Structure. Unidades: FFCLRP, FCFRP
Subjects: ANTICONVULSIVANTES, MUTAGÊNESE, VISÃO COMPUTACIONAL, TOXICOLOGIA CLÍNICA
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ABNT
SANTOS, Carlos E. Matos dos et al. A preliminary assessment of pregabalin lactam mutagenicity and remarks on “An investigation of pregabalin lactamization process and effect of various pH on reaction: a computational insight”. Journal of Molecular Structure, v. 1246, p. 1-5, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131095. Acesso em: 16 ago. 2024.
APA
Santos, C. E. M. dos, Paiva, F. C. R. de, Dorta, D. J., & Oliveira, D. P. de. (2021). A preliminary assessment of pregabalin lactam mutagenicity and remarks on “An investigation of pregabalin lactamization process and effect of various pH on reaction: a computational insight”. Journal of Molecular Structure, 1246, 1-5. doi:10.1016/j.molstruc.2021.131095
NLM
Santos CEM dos, Paiva FCR de, Dorta DJ, Oliveira DP de. A preliminary assessment of pregabalin lactam mutagenicity and remarks on “An investigation of pregabalin lactamization process and effect of various pH on reaction: a computational insight” [Internet]. Journal of Molecular Structure. 2021 ; 1246 1-5.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131095
Vancouver
Santos CEM dos, Paiva FCR de, Dorta DJ, Oliveira DP de. A preliminary assessment of pregabalin lactam mutagenicity and remarks on “An investigation of pregabalin lactamization process and effect of various pH on reaction: a computational insight” [Internet]. Journal of Molecular Structure. 2021 ; 1246 1-5.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131095
Artigo de periodico
Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes (2021)
Mello, Lucas dos S; Cruz Júnior, José W. da; Bucalon, Daniel H.; Romera, Sandra; Santos, Mirian P. dos; Lião, luciano M; Vizotto, Luciana; Martins, Felipe T; Dockal, Edward Ralph
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: VANÁDIO, RAIOS X
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ABNT
MELLO, Lucas dos S et al. Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes. Journal of Molecular Structure, v. 1228, p. 129656, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.129656. Acesso em: 16 ago. 2024.
APA
Mello, L. dos S., Cruz Júnior, J. W. da, Bucalon, D. H., Romera, S., Santos, M. P. dos, Lião, luciano M., et al. (2021). Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes. Journal of Molecular Structure, 1228, 129656. doi:10.1016/j.molstruc.2020.129656
NLM
Mello L dos S, Cruz Júnior JW da, Bucalon DH, Romera S, Santos MP dos, Lião luciano M, Vizotto L, Martins FT, Dockal ER. Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes [Internet]. Journal of Molecular Structure. 2021 ; 1228 129656.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129656
Vancouver
Mello L dos S, Cruz Júnior JW da, Bucalon DH, Romera S, Santos MP dos, Lião luciano M, Vizotto L, Martins FT, Dockal ER. Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes [Internet]. Journal of Molecular Structure. 2021 ; 1228 129656.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129656
Artigo de periodico
Experimental studies and computational modeling on cytochrome c reduction by quercetin: the role of oxidability and binding affinity (2021)
Zazeri, Gabriel; Povinelli, Ana Paula Ribeiro; Pavan, Nathalia Mariana ; Carvalho, Daniella Romano de ; Cardoso, Carmen Lucia ; Ximenes, Valdecir Farias
Source: Journal of Molecular Structure. Unidade: FFCLRP
Subjects: CITOCROMO P-450, FLAVONOIDES, ANTIOXIDANTES
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ABNT
ZAZERI, Gabriel et al. Experimental studies and computational modeling on cytochrome c reduction by quercetin: the role of oxidability and binding affinity. Journal of Molecular Structure, v. 1244, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.130995. Acesso em: 16 ago. 2024.
APA
Zazeri, G., Povinelli, A. P. R., Pavan, N. M., Carvalho, D. R. de, Cardoso, C. L., & Ximenes, V. F. (2021). Experimental studies and computational modeling on cytochrome c reduction by quercetin: the role of oxidability and binding affinity. Journal of Molecular Structure, 1244. doi:10.1016/j.molstruc.2021.130995
NLM
Zazeri G, Povinelli APR, Pavan NM, Carvalho DR de, Cardoso CL, Ximenes VF. Experimental studies and computational modeling on cytochrome c reduction by quercetin: the role of oxidability and binding affinity [Internet]. Journal of Molecular Structure. 2021 ; 1244[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.130995
Vancouver
Zazeri G, Povinelli APR, Pavan NM, Carvalho DR de, Cardoso CL, Ximenes VF. Experimental studies and computational modeling on cytochrome c reduction by quercetin: the role of oxidability and binding affinity [Internet]. Journal of Molecular Structure. 2021 ; 1244[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.130995
Artigo de periodico
Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks (2021)
Chiari, Laise Pellegrini Alencar; Silva, Aldineia Pereira da; Oliveira, Aline A; Lipinski, Célio Fernando ; Honório, Káthia Maria ; Silva, Alberico Borges Ferreira da
Source: Journal of Molecular Structure. Unidades: EACH, IQSC
Subjects: QUALIDADE DE VIDA, NEUROLOGIA
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ABNT
CHIARI, Laise Pellegrini Alencar et al. Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks. Journal of Molecular Structure, v. 1223, p. 129156, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.129156. Acesso em: 16 ago. 2024.
APA
Chiari, L. P. A., Silva, A. P. da, Oliveira, A. A., Lipinski, C. F., Honório, K. M., & Silva, A. B. F. da. (2021). Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks. Journal of Molecular Structure, 1223, 129156. doi:10.1016/j.molstruc.2020.129156
NLM
Chiari LPA, Silva AP da, Oliveira AA, Lipinski CF, Honório KM, Silva ABF da. Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks [Internet]. Journal of Molecular Structure. 2021 ; 1223 129156.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129156
Vancouver
Chiari LPA, Silva AP da, Oliveira AA, Lipinski CF, Honório KM, Silva ABF da. Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks [Internet]. Journal of Molecular Structure. 2021 ; 1223 129156.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129156
Artigo de periodico
Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein –Human ACE2 interface (2021)
Faria, Sérgio H. D. M ; Teleschi, João G.
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: FÁRMACOS, COVID-19, MOLÉCULA
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ABNT
FARIA, Sérgio H. D. M e TELESCHI, João G. Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein –Human ACE2 interface. Journal of Molecular Structure, v. 1232, p. 130076 FEB, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.130076. Acesso em: 16 ago. 2024.
APA
Faria, S. H. D. M., & Teleschi, J. G. (2021). Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein –Human ACE2 interface. Journal of Molecular Structure, 1232, 130076 FEB. doi:10.1016/j.molstruc.2021.130076
NLM
Faria SHDM, Teleschi JG. Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein –Human ACE2 interface [Internet]. Journal of Molecular Structure. 2021 ; 1232 130076 FEB.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.130076
Vancouver
Faria SHDM, Teleschi JG. Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein –Human ACE2 interface [Internet]. Journal of Molecular Structure. 2021 ; 1232 130076 FEB.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.130076
Artigo de periodico
Investigating the electronic excitations in Polyoxoniobates: (Nb6O19)8−, (Nb10O28)6− and (XNb12O40)Y with (X=As, P, Si, Ge) and (Y=15- and 16-) (2021)
Steffler, Fernando ; Haiduke, Roberto Luiz Andrade
Source: Journal of Molecular Structure. Unidade: IQSC
Assunto: QUÍMICA TEÓRICA
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ABNT
STEFFLER, Fernando e HAIDUKE, Roberto Luiz Andrade. Investigating the electronic excitations in Polyoxoniobates: (Nb6O19)8−, (Nb10O28)6− and (XNb12O40)Y with (X=As, P, Si, Ge) and (Y=15- and 16-). Journal of Molecular Structure, v. 1246, p. 131156, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131156. Acesso em: 16 ago. 2024.
APA
Steffler, F., & Haiduke, R. L. A. (2021). Investigating the electronic excitations in Polyoxoniobates: (Nb6O19)8−, (Nb10O28)6− and (XNb12O40)Y with (X=As, P, Si, Ge) and (Y=15- and 16-). Journal of Molecular Structure, 1246, 131156. doi:10.1016/j.molstruc.2021.131156
NLM
Steffler F, Haiduke RLA. Investigating the electronic excitations in Polyoxoniobates: (Nb6O19)8−, (Nb10O28)6− and (XNb12O40)Y with (X=As, P, Si, Ge) and (Y=15- and 16-) [Internet]. Journal of Molecular Structure. 2021 ; 1246 131156.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131156
Vancouver
Steffler F, Haiduke RLA. Investigating the electronic excitations in Polyoxoniobates: (Nb6O19)8−, (Nb10O28)6− and (XNb12O40)Y with (X=As, P, Si, Ge) and (Y=15- and 16-) [Internet]. Journal of Molecular Structure. 2021 ; 1246 131156.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131156
Artigo de periodico
Synthesis, characterization, and antibacterial activity of dibenzildithiocarbamate derivates and Ni(II)-Cu(II) coordination compounds (2021)
Pastrana-Dávila, Andrea; Amaya-Flórez, Andres; Aranaga, Carlos; Ellena, Javier ; Marcías, Mario; Flórez-López, Edwin; D'Vries, Richard F.
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: AGENTES ANTIMICROBIANOS, TECNOLOGIA DE MICRO-ONDAS, COMPOSTOS DE COORDENAÇÃO
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ABNT
PASTRANA-DÁVILA, Andrea et al. Synthesis, characterization, and antibacterial activity of dibenzildithiocarbamate derivates and Ni(II)-Cu(II) coordination compounds. Journal of Molecular Structure, v. 1245, p. 131109-1-131109-9 + supplementary materials, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131109. Acesso em: 16 ago. 2024.
APA
Pastrana-Dávila, A., Amaya-Flórez, A., Aranaga, C., Ellena, J., Marcías, M., Flórez-López, E., & D'Vries, R. F. (2021). Synthesis, characterization, and antibacterial activity of dibenzildithiocarbamate derivates and Ni(II)-Cu(II) coordination compounds. Journal of Molecular Structure, 1245, 131109-1-131109-9 + supplementary materials. doi:10.1016/j.molstruc.2021.131109
NLM
Pastrana-Dávila A, Amaya-Flórez A, Aranaga C, Ellena J, Marcías M, Flórez-López E, D'Vries RF. Synthesis, characterization, and antibacterial activity of dibenzildithiocarbamate derivates and Ni(II)-Cu(II) coordination compounds [Internet]. Journal of Molecular Structure. 2021 ; 1245 131109-1-131109-9 + supplementary materials.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131109
Vancouver
Pastrana-Dávila A, Amaya-Flórez A, Aranaga C, Ellena J, Marcías M, Flórez-López E, D'Vries RF. Synthesis, characterization, and antibacterial activity of dibenzildithiocarbamate derivates and Ni(II)-Cu(II) coordination compounds [Internet]. Journal of Molecular Structure. 2021 ; 1245 131109-1-131109-9 + supplementary materials.[citado 2024 ago. 16 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131109

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