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  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ESPECTROSCOPIA, ISÔMERO, TAUTOMERIA, ESPECTROSCOPIA INFRAVERMELHA, ESPECTROSCOPIA DE RESSONÂNCIA MAGNÉTICA NUCLEAR

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    • ABNT

      WEGERMANN, Camila Anchau; MONZANI, Enrico; CASELLA, Luigi; et al. Unveiling geometrical isomers and tautomers of isatin-hydrazones by NMR spectroscopy. Journal of Molecular Structure, Amsterdam, v. 1250, p. 1-15 art. 131633, 2022. Disponível em: < https://dx.doi.org/10.1016/j.molstruc.2021.131633 > DOI: 10.1016/j.molstruc.2021.131633.
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      Wegermann, C. A., Monzani, E., Casella, L., Ribeiro, M. A., Bruzeguini, C. E. T., Vilcachagua, J. D., et al. (2022). Unveiling geometrical isomers and tautomers of isatin-hydrazones by NMR spectroscopy. Journal of Molecular Structure, 1250, 1-15 art. 131633. doi:10.1016/j.molstruc.2021.131633
    • NLM

      Wegermann CA, Monzani E, Casella L, Ribeiro MA, Bruzeguini CET, Vilcachagua JD, Costa LAS, Ferreira AM da C. Unveiling geometrical isomers and tautomers of isatin-hydrazones by NMR spectroscopy [Internet]. Journal of Molecular Structure. 2022 ; 1250 1-15 art. 131633.Available from: https://dx.doi.org/10.1016/j.molstruc.2021.131633
    • Vancouver

      Wegermann CA, Monzani E, Casella L, Ribeiro MA, Bruzeguini CET, Vilcachagua JD, Costa LAS, Ferreira AM da C. Unveiling geometrical isomers and tautomers of isatin-hydrazones by NMR spectroscopy [Internet]. Journal of Molecular Structure. 2022 ; 1250 1-15 art. 131633.Available from: https://dx.doi.org/10.1016/j.molstruc.2021.131633
  • Source: Journal of Molecular Structure. Unidade: IFSC

    Subjects: PLANEJAMENTO DE FÁRMACOS, CRISTALOGRAFIA, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)

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    • ABNT

      CARNEIRO, Renato L.; MELO, Cristiane C.; ALVARENGA JR, Benedito R.; 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, Amsterdam, v. 1251, p. 132052-1-132052-10, 2022. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2021.132052 > DOI: 10.1016/j.molstruc.2021.132052.
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1016/j.molstruc.2021.132052
  • Source: Journal of Molecular Structure. Unidade: IQSC

    Subjects: DIFRAÇÃO POR RAIOS X, ELETRÔNICA

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    • ABNT

      FERNANDES, André G. de A; MORENO-FUQUEN, Rodolfo; GATTO, Claudia C; et al. Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses. Journal of Molecular Structure, Amsterdam, v. 1250, n. 3, 2022. Disponível em: < https://doi.org/10.1016/j.molstruc.2021.131875 > DOI: 10.1016/j.molstruc.2021.131875.
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      Fernandes, A. G. de A., Moreno-Fuquen, R., Gatto, C. C., Lang, E. S., Módolo, M., Silva, A. K. da, 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, Moreno-Fuquen R, Gatto CC, Lang ES, Módolo M, Silva AK da, Lemos SS, Hagenbach A, Abram U, Deflon VM, Viana RB. Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses [Internet]. Journal of Molecular Structure. 2022 ; 1250( 3):Available from: https://doi.org/10.1016/j.molstruc.2021.131875
    • Vancouver

      Fernandes AG de A, Moreno-Fuquen R, Gatto CC, Lang ES, Módolo M, Silva AK da, Lemos SS, Hagenbach A, Abram U, Deflon VM, Viana RB. Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses [Internet]. Journal of Molecular Structure. 2022 ; 1250( 3):Available from: https://doi.org/10.1016/j.molstruc.2021.131875
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ESPECTROSCOPIA, INFRAVERMELHO

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    • ABNT

      RODRIGUES, Daniel Nopper Silva; OLIVATO, Paulo Roberto; BATISTA, Patrick Rodrigues; DUCATI, Lucas Colucci; COLLE, Maurizio Dal. Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes. Journal of Molecular Structure, Amsterdam, v. 1261, p. 1-21 art. 132895, 2022. Disponível em: < https://dx.doi.org/10.1016/j.molstruc.2022.132895 > DOI: 10.1016/j.molstruc.2022.132895.
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      Rodrigues, D. N. S., Olivato, P. R., Batista, P. R., Ducati, L. C., & Colle, M. D. (2022). Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes. Journal of Molecular Structure, 1261, 1-21 art. 132895. doi:10.1016/j.molstruc.2022.132895
    • NLM

      Rodrigues DNS, Olivato PR, Batista PR, Ducati LC, Colle MD. Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes [Internet]. Journal of Molecular Structure. 2022 ; 1261 1-21 art. 132895.Available from: https://dx.doi.org/10.1016/j.molstruc.2022.132895
    • Vancouver

      Rodrigues DNS, Olivato PR, Batista PR, Ducati LC, Colle MD. Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes [Internet]. Journal of Molecular Structure. 2022 ; 1261 1-21 art. 132895.Available from: https://dx.doi.org/10.1016/j.molstruc.2022.132895
  • Source: Journal of Molecular Structure. Unidades: IQ, FCF

    Subjects: TUBERCULOSE, FÁRMACOS

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    • ABNT

      PRIETO, Diego Campos; ARAUJO, Renan Vinicius de; LIMA, Sara de Souza; et al. Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations. Journal of Molecular Structure, Amsterdam, v. 1254, p. 1-7 art. 132323, 2022. Disponível em: < https://dx.doi.org/10.1016/j.molstruc.2021.132323 > DOI: 10.1016/j.molstruc.2021.132323.
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      Prieto, D. C., Araujo, R. V. de, Lima, S. de S., Assad, F. Z., Grayson, S. M., Braga, A. A. C., et al. (2022). Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations. Journal of Molecular Structure, 1254, 1-7 art. 132323. doi:10.1016/j.molstruc.2021.132323
    • NLM

      Prieto DC, Araujo RV de, Lima S de S, Assad FZ, Grayson SM, Braga AAC, Lourenço FR, Giarolla J. Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations [Internet]. Journal of Molecular Structure. 2022 ; 1254 1-7 art. 132323.Available from: https://dx.doi.org/10.1016/j.molstruc.2021.132323
    • Vancouver

      Prieto DC, Araujo RV de, Lima S de S, Assad FZ, Grayson SM, Braga AAC, Lourenço FR, Giarolla J. Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations [Internet]. Journal of Molecular Structure. 2022 ; 1254 1-7 art. 132323.Available from: https://dx.doi.org/10.1016/j.molstruc.2021.132323
  • Source: Journal of Molecular Structure. Unidade: IQSC

    Subjects: CINÉTICA QUÍMICA, GASES NOBRES

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    • ABNT

      SANTIAGO, Regis Tadeu; 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, Amsterdam, v. 1249, p. 131572, 2022. Disponível em: < https://doi.org/10.1016/j.molstruc.2021.131572 > DOI: 10.1016/j.molstruc.2021.131572.
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      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.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.Available from: https://doi.org/10.1016/j.molstruc.2021.131572
  • Source: Journal of Molecular Structure. Unidades: IQ, IQSC

    Subjects: QUÍMICA ORGÂNICA, SÍNTESE ORGÂNICA

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    • ABNT

      KHALID, Muhammad; KHAN, Muhammad Usman; TAHIR, Muhammad Nawaz; et al. Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network. Journal of Molecular Structure, Amsterdam, v. 1230 p. 129827, 2021. Disponível em: < https://doi.org/10.1016/j.molstruc.2020.129827 > DOI: 10.1016/j.molstruc.2020.129827.
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      Khalid, M., Khan, M. U., Tahir, M. N., Ahmad, A., Ashfaq, M., Hussain, R., et al. (2021). Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network. Journal of Molecular Structure, 1230 p. 129827. doi:10.1016/j.molstruc.2020.129827
    • NLM

      Khalid M, Khan MU, Tahir MN, Ahmad A, Ashfaq M, Hussain R, Morais SF de A, Braga AAC, Ali A. Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network [Internet]. Journal of Molecular Structure. 2021 ; 1230 p. 129827Available from: https://doi.org/10.1016/j.molstruc.2020.129827
    • Vancouver

      Khalid M, Khan MU, Tahir MN, Ahmad A, Ashfaq M, Hussain R, Morais SF de A, Braga AAC, Ali A. Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network [Internet]. Journal of Molecular Structure. 2021 ; 1230 p. 129827Available from: https://doi.org/10.1016/j.molstruc.2020.129827
  • Source: Journal of Molecular Structure. Unidade: IQSC

    Subjects: VANÁDIO, RAIOS X

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    • ABNT

      MELLO, Lucas dos S; CRUZ JÚNIOR, José W. da; BUCALON, Daniel H.; et al. Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes. Journal of Molecular Structure, Amsterdam, v. 1228, p. 129656, 2021. Disponível em: < https://doi.org/10.1016/j.molstruc.2020.129656 > DOI: 10.1016/j.molstruc.2020.129656.
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      Mello, L. dos S., Cruz Júnior, J. W. da, Bucalon, D. H., Romera, S., Lião, luciano M., Vizotto, L., 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, Lião luciano M, Vizotto L, Martins FT, Dockal ER, Santos MP dos. Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes [Internet]. Journal of Molecular Structure. 2021 ; 1228 129656.Available from: https://doi.org/10.1016/j.molstruc.2020.129656
    • Vancouver

      Mello L dos S, Cruz Júnior JW da, Bucalon DH, Romera S, Lião luciano M, Vizotto L, Martins FT, Dockal ER, Santos MP dos. Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes [Internet]. Journal of Molecular Structure. 2021 ; 1228 129656.Available from: https://doi.org/10.1016/j.molstruc.2020.129656
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ELÉTRONS, CORANTES, FOTOQUÍMICA

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      REINA, Mauricio Caicedo; GUIMARÃES, Robson Raphael; ORTIZ, Alejandro; ARAKI, Koiti; INSUASTY, Braulio. New organic photosensitizers based on triphenylamine and hydantoin as anchoring group onto TiO2 Surface. Journal of Molecular Structure, Amsterdam, v. 1251, p. 1-8, 2021. Disponível em: < https://dx.doi.org/10.1016/j.molstruc.2021.132072 > DOI: 10.1016/j.molstruc.2021.132072.
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      Reina, M. C., Guimarães, R. R., Ortiz, A., Araki, K., & Insuasty, B. (2021). New organic photosensitizers based on triphenylamine and hydantoin as anchoring group onto TiO2 Surface. Journal of Molecular Structure, 1251, 1-8. doi:10.1016/j.molstruc.2021.132072
    • NLM

      Reina MC, Guimarães RR, Ortiz A, Araki K, Insuasty B. New organic photosensitizers based on triphenylamine and hydantoin as anchoring group onto TiO2 Surface [Internet]. Journal of Molecular Structure. 2021 ; 1251 1-8.Available from: https://dx.doi.org/10.1016/j.molstruc.2021.132072
    • Vancouver

      Reina MC, Guimarães RR, Ortiz A, Araki K, Insuasty B. New organic photosensitizers based on triphenylamine and hydantoin as anchoring group onto TiO2 Surface [Internet]. Journal of Molecular Structure. 2021 ; 1251 1-8.Available from: https://dx.doi.org/10.1016/j.molstruc.2021.132072
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subject: COMPOSTOS HETEROCÍCLICOS

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      PASHA, Anam Rubbab; KHALID, Muhammad; SHAFIQ, Zahid; et al. A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach. Journal of Molecular Structure, Amsterdam, v. 1230, p. 1-11 art. 129852, 2021. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.129852 > DOI: 10.1016/j.molstruc.2020.129852.
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      Pasha, A. R., Khalid, M., Shafiq, Z., Khan, M. U., Naseer, M. M., Tahir, M. N., et al. (2021). A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach. Journal of Molecular Structure, 1230, 1-11 art. 129852. doi:10.1016/j.molstruc.2020.129852
    • NLM

      Pasha AR, Khalid M, Shafiq Z, Khan MU, Naseer MM, Tahir MN, Hussain R, Braga AAC, Jawaria R. A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach [Internet]. Journal of Molecular Structure. 2021 ; 1230 1-11 art. 129852.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129852
    • Vancouver

      Pasha AR, Khalid M, Shafiq Z, Khan MU, Naseer MM, Tahir MN, Hussain R, Braga AAC, Jawaria R. A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach [Internet]. Journal of Molecular Structure. 2021 ; 1230 1-11 art. 129852.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129852
  • Source: Journal of Molecular Structure. Unidades: EACH, IQSC

    Subjects: QUALIDADE DE VIDA, NEUROLOGIA

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      CHIARI, Laise Pellegrini Alencar; SILVA, Aldineia Pereira da; OLIVEIRA, Aline A; 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, Amsterdam, v. 1223, p. 129156, 2021. Disponível em: < https://doi.org/10.1016/j.molstruc.2020.129156 > DOI: 10.1016/j.molstruc.2020.129156.
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      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.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.Available from: https://doi.org/10.1016/j.molstruc.2020.129156
  • Source: Journal of Molecular Structure. Unidade: IQSC

    Subjects: FÁRMACOS, COVID-19, MOLÉCULA

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      FARIA, Sérgio H. D. M; 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, Amsterdam, v. 1232, p. 130076 FEB, 2021. Disponível em: < https://doi.org/10.1016/j.molstruc.2021.130076 > DOI: 10.1016/j.molstruc.2021.130076.
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      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.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.Available from: https://doi.org/10.1016/j.molstruc.2021.130076
  • Source: Journal of Molecular Structure. Unidade: FFCLRP

    Subjects: CITOCROMO P-450, FLAVONOIDES, ANTIOXIDANTES

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      ZAZERI, Gabriel; POVINELLI, Ana Paula Ribeiro; PAVAN, Nathalia M.; et al. Experimental studies and computational modeling on cytochrome c reduction by quercetin: the role of oxidability and binding affinity. Journal of Molecular Structure, Amsterdam, v. 1244, 2021. Disponível em: < https://doi.org/10.1016/j.molstruc.2021.130995 > DOI: 10.1016/j.molstruc.2021.130995.
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      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 ; 1244Available 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 ; 1244Available from: https://doi.org/10.1016/j.molstruc.2021.130995
  • Source: Journal of Molecular Structure. Unidade: IQSC

    Subject: QUÍMICA TEÓRICA

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      STEFFLER, Fernando; 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, Amsterdam, v. 1246, p. 131156, 2021. Disponível em: < https://doi.org/10.1016/j.molstruc.2021.131156 > DOI: 10.1016/j.molstruc.2021.131156.
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      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.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.Available from: https://doi.org/10.1016/j.molstruc.2021.131156
  • 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; AMAYA-FLÓREZ, Andres; ARANAGA, Carlos; et al. Synthesis, characterization, and antibacterial activity of dibenzildithiocarbamate derivates and Ni(II)-Cu(II) coordination compounds. Journal of Molecular Structure, Amsterdam, v. 1245, p. 131109-1-131109-9 + supplementary materials, 2021. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2021.131109 > DOI: 10.1016/j.molstruc.2021.131109.
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1016/j.molstruc.2021.131109
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: DNA, MYCOBACTERIUM TUBERCULOSIS, COBRE

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      ALMEIDA, Janaina do Couto; SILVA, Raphael T. C; ZANETTI, Renan D; et al. DNA interactions, antitubercular and cytotoxic activity of heteroleptic CuII complexes containing 1,10-phenanthroline. Journal of Molecular Structure, Amsterdam, v. 1235, p. 1-9 art. 130234, 2021. Disponível em: < https://dx.doi.org/10.1016/j.molstruc.2021.130234 > DOI: 10.1016/j.molstruc.2021.130234.
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      Almeida, J. do C., Silva, R. T. C., Zanetti, R. D., Moreira, M. B., Portes, M. C., Polloni, L., et al. (2021). DNA interactions, antitubercular and cytotoxic activity of heteroleptic CuII complexes containing 1,10-phenanthroline. Journal of Molecular Structure, 1235, 1-9 art. 130234. doi:10.1016/j.molstruc.2021.130234
    • NLM

      Almeida J do C, Silva RTC, Zanetti RD, Moreira MB, Portes MC, Polloni L, Azevedo FVP de V, Poelhsitz GV, Pivatto M, Netto AVG, Ávila V de MR, Manieri KF, Pavan FR, Ferreira AM da C, Guerra W. DNA interactions, antitubercular and cytotoxic activity of heteroleptic CuII complexes containing 1,10-phenanthroline [Internet]. Journal of Molecular Structure. 2021 ; 1235 1-9 art. 130234.Available from: https://dx.doi.org/10.1016/j.molstruc.2021.130234
    • Vancouver

      Almeida J do C, Silva RTC, Zanetti RD, Moreira MB, Portes MC, Polloni L, Azevedo FVP de V, Poelhsitz GV, Pivatto M, Netto AVG, Ávila V de MR, Manieri KF, Pavan FR, Ferreira AM da C, Guerra W. DNA interactions, antitubercular and cytotoxic activity of heteroleptic CuII complexes containing 1,10-phenanthroline [Internet]. Journal of Molecular Structure. 2021 ; 1235 1-9 art. 130234.Available from: https://dx.doi.org/10.1016/j.molstruc.2021.130234
  • Source: Journal of Molecular Structure. Unidades: IFSC, IQSC

    Subjects: CRISTALOGRAFIA, DIFRAÇÃO POR RAIOS X, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)

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      ZANIN, Lucas Lima; JIMENEZ, David Esteban Quintero; JESUS, Matheus Pereira de; et al. Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium. Journal of Molecular Structure, Amsterdam, v. 1223, n. Ja 2021, p. 129226-1-129226-10, 2021. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.129226 > DOI: 10.1016/j.molstruc.2020.129226.
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      Zanin, L. L., Jimenez, D. E. Q., Jesus, M. P. de, Diniz, L. F., Ellena, J., & Porto, A. L. M. (2021). Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium. Journal of Molecular Structure, 1223( Ja 2021), 129226-1-129226-10. doi:10.1016/j.molstruc.2020.129226
    • NLM

      Zanin LL, Jimenez DEQ, Jesus MP de, Diniz LF, Ellena J, Porto ALM. Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium [Internet]. Journal of Molecular Structure. 2021 ; 1223( Ja 2021): 129226-1-129226-10.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129226
    • Vancouver

      Zanin LL, Jimenez DEQ, Jesus MP de, Diniz LF, Ellena J, Porto ALM. Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium [Internet]. Journal of Molecular Structure. 2021 ; 1223( Ja 2021): 129226-1-129226-10.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129226
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ESPECTROSCOPIA INFRAVERMELHA, COMPOSTOS HETEROCÍCLICOS, SOLVENTE

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      VALENÇA, Jéssica; OLIVATO, Paulo Roberto; RODRIGUES, Daniel Nopper Silva; et al. Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran. Journal of Molecular Structure, Amsterdan, v. 1225, p. 1-15 art. 129088, 2021. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.129088 > DOI: 10.1016/j.molstruc.2020.129088.
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      Valença, J., Olivato, P. R., Rodrigues, D. N. S., Batista, P. R., Ducati, L. C., & Colle, M. D. (2021). Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran. Journal of Molecular Structure, 1225, 1-15 art. 129088. doi:10.1016/j.molstruc.2020.129088
    • NLM

      Valença J, Olivato PR, Rodrigues DNS, Batista PR, Ducati LC, Colle MD. Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran [Internet]. Journal of Molecular Structure. 2021 ; 1225 1-15 art. 129088.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129088
    • Vancouver

      Valença J, Olivato PR, Rodrigues DNS, Batista PR, Ducati LC, Colle MD. Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran [Internet]. Journal of Molecular Structure. 2021 ; 1225 1-15 art. 129088.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129088
  • Source: Journal of Molecular Structure. Unidade: IFSC

    Subjects: CRISTALOGRAFIA, DIFRAÇÃO POR RAIOS X, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)

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      APPELT, Patricia; LARA, Camila M.; SILVA, Juliana P.; et al. Synthesis, characterization, 31 P{ 1 H} NMR, X-ray structure and voltammetric study of 2-mercaptothiazolines and phosphines ruthenium(II) complexes. Journal of Molecular Structure, Amsterdam, v. 1246, p. 131262-1-131262-14, 2021. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2021.131262 > DOI: 10.1016/j.molstruc.2021.131262.
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      Appelt, P., Lara, C. M., Silva, J. P., Silva, J. S., Sandrino, B., Álvarez, N., et al. (2021). Synthesis, characterization, 31 P{ 1 H} NMR, X-ray structure and voltammetric study of 2-mercaptothiazolines and phosphines ruthenium(II) complexes. Journal of Molecular Structure, 1246, 131262-1-131262-14. doi:10.1016/j.molstruc.2021.131262
    • NLM

      Appelt P, Lara CM, Silva JP, Silva JS, Sandrino B, Álvarez N, Ellena J, Back DF, Araujo MP. Synthesis, characterization, 31 P{ 1 H} NMR, X-ray structure and voltammetric study of 2-mercaptothiazolines and phosphines ruthenium(II) complexes [Internet]. Journal of Molecular Structure. 2021 ; 1246 131262-1-131262-14.Available from: http://dx.doi.org/10.1016/j.molstruc.2021.131262
    • Vancouver

      Appelt P, Lara CM, Silva JP, Silva JS, Sandrino B, Álvarez N, Ellena J, Back DF, Araujo MP. Synthesis, characterization, 31 P{ 1 H} NMR, X-ray structure and voltammetric study of 2-mercaptothiazolines and phosphines ruthenium(II) complexes [Internet]. Journal of Molecular Structure. 2021 ; 1246 131262-1-131262-14.Available from: http://dx.doi.org/10.1016/j.molstruc.2021.131262
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: CALCOGÊNIOS, COMPOSTOS HETEROCÍCLICOS

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      ASAD, Mohammad; ARSHAD, Muhammad Nadeem; KHAN, Salman A; et al. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies. Journal of Molecular Structure, Amsterdam, v. 1201, p. 1-14 art. 127186, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.127186 > DOI: 10.1016/j.molstruc.2019.127186.
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      Asad, M., Arshad, M. N., Khan, S. A., Oves, M., Khalid, M., Asiri, A. M., & Braga, A. A. C. (2020). Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies. Journal of Molecular Structure, 1201, 1-14 art. 127186. doi:10.1016/j.molstruc.2019.127186
    • NLM

      Asad M, Arshad MN, Khan SA, Oves M, Khalid M, Asiri AM, Braga AAC. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies [Internet]. Journal of Molecular Structure. 2020 ; 1201 1-14 art. 127186.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127186
    • Vancouver

      Asad M, Arshad MN, Khan SA, Oves M, Khalid M, Asiri AM, Braga AAC. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies [Internet]. Journal of Molecular Structure. 2020 ; 1201 1-14 art. 127186.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127186

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