Materiais Cristalinos Funcionais e Desenvolvimento Tecnológico
Palavras-chave:
Cristalografia. Novos materiais. Biodiversidade Molecular.
Resumo
O estudo de novos materiais e o conhecimento estrutural da matéria é de grande importância para a ciência, neste trabalho é feita uma relação entre o estudo molecular, via difração de Raios X, através do método cristalográfico e o desenvolvimento tecnológico. É apresentado uma descrição dessa metodologia, amplamente aplicada para determinação estrutural de materiais sólido cristalinos. Assim, são demonstrados alguns exemplos de novos materiais resultantes do estudo da biodiversidade molecular.
Referências
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2. Fernandes WB, Napolitano HB, Nodaperes C, Martins FT, Lariucci C. Aplicações Tecnológicas da Metodologia Cristalográfica. Rev Process Químicos. 2010.
3. Betts K. Crystallography: Understanding the Nature of Chemical Bonds and Molecular Structure.; 2015.
4. Olliveira Sallum L, Lúcio Benedito de Aquino G, Napolitano HB. Cristalografia de chalconas metoxiladas. In: Ciências Moleculares 2. Anápolis: Universidade Estadual de Goiás, Pró-Reitoria de Pesquisa e Pós-Graduação; 2012:458.
5. Guionneau P. Crystallography and spin-crossover. A view of breathing materials. Dalt Trans. 2014;43:382-393.
6. Lucarini V, Fraedrich K, Lunkeit F. Thermodynamics of climate change: generalized sensitivities. Atmos Chem Phys. 2010;10(20):9729-9737. doi:10.5194/acp-10-9729-2010
7. Zarghami E. New Technologies in Construction Materials Based on Environmental Approach (Case Study: Double Skin Facades). Mediterr J Soc Sci. 2015;6(6):17-24.
8. Li J, Junliang S. Application of X-ray Diffraction and Electron Crystallography for Solving Complex Structure Problems. Acc Chem Res. 2017;50:2737-2745.
9. Callister Jr. WD, Rethwish DG. A Estrutura dos Sólidos Cristalinos. In: Ciência e Engenharia de Materiais. 7a Edição. Rio de Janeiro; 2007.
10. Giacovazzo C. Fundamentals of Crystallography. Oxford University Press; 2002.
11. Viterbo D. Solution and refinement of crystal structures. In: Giacovazzo C, ed. Fundamentals of Crystallografhy. Oxford University Press; 2002.
12. Sheldrick GM. Crystal structure refinement with SHELXL. Acta Crystallogr Sect C. 2015;71(1):3-8. doi:10.1107/S2053229614024218
13. Burla MC, Caliandro R, Carrozzini B, et al. Crystal structure determination and refinement via SIR2014. J Appl Crystallogr. 2015;48(1):306-309. doi:10.1107/S1600576715001132
14. Sheldrick GM, C. K, Goggard. The DIRDIF program system. In: Crystallographic Computing. Vol. 3. ; 1985:216.
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16. Martins M, Meyer A, Salbego P, et al. Synthesis, Crystal Structure, and Supramolecular Understanding of 1,3,5-Tris(1-phenyl-1H-pyrazol-5-yl) benzenes. Molecules. 2017;23(1):22. doi:10.3390/molecules23010022
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18. Hirshfeld FL. Bonded-atom fragments for describing molecular charge densities. Theor Chim Acta. 1977;44(2):129-138.
19. McKinnon JJ, Spackman MA, Mitchell AS. Novel tools for visualizing and exploring intermolecular interactions in molecular crystals. Acta Crystallogr Sect B Struct Sci. 2004;60(6):627-668.
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22. Carvalho PS, Custodio JMF, Vaz WF, et al. Conformation analysis of a novel fluorinated chalcone. J Mol Model. 2017;23(3):97. doi:10.1007/s00894-017-3245-8
23. Spackman MA, McKinnon JJ. Fingerprinting intermolecular interactions in molecular crystals. CrystEngComm. 2002;4(66):378-392.
24. Yuriev E, Coote ML. Molecular Modelling: Advances in Biomolecular and Materials Modelling. Aust J Chem. 2011;64(7):885. doi:10.1071/CH11232
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28. Custodio JMF, Vaz WF, de Andrade FM, Camargo AJ, Oliveira GR, Napolitano HB. Substitution effect on a hydroxylated chalcone: Conformational, topological and theoretical studies. J Mol Struct. 2017;1136:69-79. doi:10.1016/j.molstruc.2017.01.076
29. Custodio J, Faria E, Sallum L, et al. The Influence of Methoxy and Ethoxy Groups on Supramolecular Arrangement of Two Methoxy-chalcones. J Braz Chem Soc. 2017;28(11):2180-2191. doi:10.21577/0103-5053.20170067
30. Custodio J, Moreira C, Valverde C, de Aquino G, Baseia B, Napolitano H. Hirshfeld Surfaces and Nonlinear Optics on Two Conformers of a Heterocyclic Chalcone. J Braz Chem Soc. 2017;29(2):168-179. doi:10.21577/0103-5053.20170136
31. Rozmer Z, Perjési P. Naturally occurring chalcones and their biological activities. Phytochem Rev. 2014;15(1):87-120. doi:10.1007/s11101-014-9387-8
32. Yang W, Cheng Z, Xu Y, et al. A highly selective fluorescent chemosensor for cyanide anions based on a chalcone derivative in the presence of iron(III) ions, and its capacity for living cell imaging in mixed aqueous systems. New J Chem. 2015;39(9):7488-7494. doi:10.1039/C5NJ01043H
33. Velmurugan K, Prabhu J, Tang L, et al. A simple chalcone-based fluorescent chemosensor for the detection and removal of Fe3+ ions using a membrane separation method. Anal Methods. 2014;6(9):2883. doi:10.1039/c3ay42139b
34. Mahajan PG, Bhopate DP, Kolekar GB, Shivajirao R. Patil. A Chalcone Based Novel Fluorescent Nanoprobe for Selective Detection of Al3+ Ion in Aqueous Medium. J Lumin Appl. 2015;2(1):1-13. doi:10.7726/jla.2015.1001
35. Begum NA, Roy N, Laskar RA, Roy K. Mosquito larvicidal studies of some chalcone analogues and their derived products: Structure-activity relationship analysis. Med Chem Res. 2011;20(2):184-191. doi:10.1007/s00044-010-9305-6
36. Hoerger CC, Schenzel J, Strobel BW, Bucheli TD. Analysis of selected phytotoxins and mycotoxins in environmental samples. Anal Bioanal Chem. 2009;395(5):1261-1289. doi:10.1007/s00216-009-3088-y
37. Caboni P, Aissani N, Demurtas M, Ntalli N, Onnis V. Nematicidal activity of acetophenones and chalcones against Meloidogyne incognita and structure-activity considerations. Pest Manag Sci. 2016;72(1):125-130. doi:10.1002/ps.3978
38. Powers C, Setzer W. An In-Silico Investigation of Phytochemicals as Antiviral Agents Against Dengue Fever. Comb Chem High Throughput Screen. 2016;19(7):516-536. doi:10.2174/1386207319666160506123715
39. Díaz-Tielas C, Graña E, Reigosa MJ, Sánchez-Morreiras AM. BIOLOGICAL ACTIVITIES AND NOVEL APPLICATIONS OF CHALCONES. Planta Daninha. 2016;34(3):607-616. doi:10.1590/s0100-83582016340300022
40. Kumar R, Sharma P, Shard A, Tewary DK, Nadda G, Sinha AK. Chalcones as promising pesticidal agents against diamondback moth (Plutella xylostella): Microwave-assisted synthesis and structure-activity relationship. Med Chem Res. 2012;21(6):922-931. doi:10.1007/s00044-011-9602-8
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45. David Tilman, Kenneth G. Cassman, Pamela A. Matson RN& SP. Nature. Nature. 2002;418:671-677.
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47. Jeschke P. The unique role of halogen substituents in the design of modern agrochemicals. Pest Manag Sci. 2010;66(1):10-27. doi:10.1002/ps.1829
48. Jeanmart S, Edmunds AJF, Lamberth C, Pouliot M. Synthetic approaches to the 2010-2014 new agrochemicals. Bioorganic Med Chem. 2016;24(3):317-341. doi:10.1016/j.bmc.2015.12.014
49. Castro MJL, Ojeda C, Cirelli AF. Advances in surfactants for agrochemicals. Environ Chem Lett. 2014;12(1):85-95. doi:10.1007/s10311-013-0432-4
50. AOUADA, F. A.; DE MOURA MR. Nanotechnology applied in agriculture: Controlled release of agrochemicals. In: Rai M, Ribeiro C, Mattoso L, Duran N, eds. Nanotechnologies in Food and Agriculture. Cham: Springer International Publishing; 2015:103-118. doi:10.1007/978-3-319-14024-7
51. Desiraju GR. Crystal Engineering: A Holistic View. Angew Chemie Int Ed. 2007;46(44):8342-8356. doi:10.1002/anie.200700534
52. Dubey S, Jhelum V, Patanjali PK. Controlled release agrochemicals formulations: A review. J Sci Ind Res (India). 2011;70(2):105-112.
53. Jeschke P. Propesticides and their use as agrochemicals. Pest Manag Sci. 2016;72(2):210-225. doi:10.1002/ps.4170
54. Wouters J, Rome S, Quéré L. Monographs of most Frequent Co-Crystal Formers. In: Pharmaceutical Salts and Co-Crystals. RSC; 2011:338-382.
doi:10.1039/9781849733502-00338
55. Wicker JGP, Crowley LM, Robshaw O, et al. Will they co-crystallize? CrystEngComm. 2017;(19):5336-5340. doi:10.1039/C7CE00587C
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2. Fernandes WB, Napolitano HB, Nodaperes C, Martins FT, Lariucci C. Aplicações Tecnológicas da Metodologia Cristalográfica. Rev Process Químicos. 2010.
3. Betts K. Crystallography: Understanding the Nature of Chemical Bonds and Molecular Structure.; 2015.
4. Olliveira Sallum L, Lúcio Benedito de Aquino G, Napolitano HB. Cristalografia de chalconas metoxiladas. In: Ciências Moleculares 2. Anápolis: Universidade Estadual de Goiás, Pró-Reitoria de Pesquisa e Pós-Graduação; 2012:458.
5. Guionneau P. Crystallography and spin-crossover. A view of breathing materials. Dalt Trans. 2014;43:382-393.
6. Lucarini V, Fraedrich K, Lunkeit F. Thermodynamics of climate change: generalized sensitivities. Atmos Chem Phys. 2010;10(20):9729-9737. doi:10.5194/acp-10-9729-2010
7. Zarghami E. New Technologies in Construction Materials Based on Environmental Approach (Case Study: Double Skin Facades). Mediterr J Soc Sci. 2015;6(6):17-24.
8. Li J, Junliang S. Application of X-ray Diffraction and Electron Crystallography for Solving Complex Structure Problems. Acc Chem Res. 2017;50:2737-2745.
9. Callister Jr. WD, Rethwish DG. A Estrutura dos Sólidos Cristalinos. In: Ciência e Engenharia de Materiais. 7a Edição. Rio de Janeiro; 2007.
10. Giacovazzo C. Fundamentals of Crystallography. Oxford University Press; 2002.
11. Viterbo D. Solution and refinement of crystal structures. In: Giacovazzo C, ed. Fundamentals of Crystallografhy. Oxford University Press; 2002.
12. Sheldrick GM. Crystal structure refinement with SHELXL. Acta Crystallogr Sect C. 2015;71(1):3-8. doi:10.1107/S2053229614024218
13. Burla MC, Caliandro R, Carrozzini B, et al. Crystal structure determination and refinement via SIR2014. J Appl Crystallogr. 2015;48(1):306-309. doi:10.1107/S1600576715001132
14. Sheldrick GM, C. K, Goggard. The DIRDIF program system. In: Crystallographic Computing. Vol. 3. ; 1985:216.
15. Cambridge Structural Database. Cambridge Crystallographic Data Centre. 2010.
16. Martins M, Meyer A, Salbego P, et al. Synthesis, Crystal Structure, and Supramolecular Understanding of 1,3,5-Tris(1-phenyl-1H-pyrazol-5-yl) benzenes. Molecules. 2017;23(1):22. doi:10.3390/molecules23010022
17. Turro NJ. Molecular structure as a blueprint for supramolecular structure chemistry in confined spaces. Proc Natl Acad Sci. 2005;102(31):10766-10770. doi:10.1073/pnas.0501376102
18. Hirshfeld FL. Bonded-atom fragments for describing molecular charge densities. Theor Chim Acta. 1977;44(2):129-138.
19. McKinnon JJ, Spackman MA, Mitchell AS. Novel tools for visualizing and exploring intermolecular interactions in molecular crystals. Acta Crystallogr Sect B Struct Sci. 2004;60(6):627-668.
20. Spackman MA, Jayatilaka D. Hirshfeld surface analysis. CrystEngComm. 2009;11(1):19-32.
21. Desiraju GR, Steiner T. The Weak Hydrogen Bond: In Structural Chemistry and Biology. Vol 9. International Union of Crystal; 2001.
22. Carvalho PS, Custodio JMF, Vaz WF, et al. Conformation analysis of a novel fluorinated chalcone. J Mol Model. 2017;23(3):97. doi:10.1007/s00894-017-3245-8
23. Spackman MA, McKinnon JJ. Fingerprinting intermolecular interactions in molecular crystals. CrystEngComm. 2002;4(66):378-392.
24. Yuriev E, Coote ML. Molecular Modelling: Advances in Biomolecular and Materials Modelling. Aust J Chem. 2011;64(7):885. doi:10.1071/CH11232
25. Singh SB, Pelaez F. Biodiversity, chemical diversity and drug discovery. Prog Drug Res. 2008;65:142-174. doi:10.1007/978-3-7643-8117-2_4
26. Custodio JMF, Santos FG, Vaz WF, et al. Molecular structure of hybrid imino-chalcone in the solid state: X-ray diffraction, spectroscopy study and third-order nonlinear optical properties. J Mol Struct. 2018;1157:210-221. doi:10.1016/j.molstruc.2017.12.023
27. Custodio J, Michelini L, Castro M, et al. Structural Insights on a Novel Anticancer Sulfonamide Chalcone. New J Chem. 2018. doi:10.1039/C7NJ03523C
28. Custodio JMF, Vaz WF, de Andrade FM, Camargo AJ, Oliveira GR, Napolitano HB. Substitution effect on a hydroxylated chalcone: Conformational, topological and theoretical studies. J Mol Struct. 2017;1136:69-79. doi:10.1016/j.molstruc.2017.01.076
29. Custodio J, Faria E, Sallum L, et al. The Influence of Methoxy and Ethoxy Groups on Supramolecular Arrangement of Two Methoxy-chalcones. J Braz Chem Soc. 2017;28(11):2180-2191. doi:10.21577/0103-5053.20170067
30. Custodio J, Moreira C, Valverde C, de Aquino G, Baseia B, Napolitano H. Hirshfeld Surfaces and Nonlinear Optics on Two Conformers of a Heterocyclic Chalcone. J Braz Chem Soc. 2017;29(2):168-179. doi:10.21577/0103-5053.20170136
31. Rozmer Z, Perjési P. Naturally occurring chalcones and their biological activities. Phytochem Rev. 2014;15(1):87-120. doi:10.1007/s11101-014-9387-8
32. Yang W, Cheng Z, Xu Y, et al. A highly selective fluorescent chemosensor for cyanide anions based on a chalcone derivative in the presence of iron(III) ions, and its capacity for living cell imaging in mixed aqueous systems. New J Chem. 2015;39(9):7488-7494. doi:10.1039/C5NJ01043H
33. Velmurugan K, Prabhu J, Tang L, et al. A simple chalcone-based fluorescent chemosensor for the detection and removal of Fe3+ ions using a membrane separation method. Anal Methods. 2014;6(9):2883. doi:10.1039/c3ay42139b
34. Mahajan PG, Bhopate DP, Kolekar GB, Shivajirao R. Patil. A Chalcone Based Novel Fluorescent Nanoprobe for Selective Detection of Al3+ Ion in Aqueous Medium. J Lumin Appl. 2015;2(1):1-13. doi:10.7726/jla.2015.1001
35. Begum NA, Roy N, Laskar RA, Roy K. Mosquito larvicidal studies of some chalcone analogues and their derived products: Structure-activity relationship analysis. Med Chem Res. 2011;20(2):184-191. doi:10.1007/s00044-010-9305-6
36. Hoerger CC, Schenzel J, Strobel BW, Bucheli TD. Analysis of selected phytotoxins and mycotoxins in environmental samples. Anal Bioanal Chem. 2009;395(5):1261-1289. doi:10.1007/s00216-009-3088-y
37. Caboni P, Aissani N, Demurtas M, Ntalli N, Onnis V. Nematicidal activity of acetophenones and chalcones against Meloidogyne incognita and structure-activity considerations. Pest Manag Sci. 2016;72(1):125-130. doi:10.1002/ps.3978
38. Powers C, Setzer W. An In-Silico Investigation of Phytochemicals as Antiviral Agents Against Dengue Fever. Comb Chem High Throughput Screen. 2016;19(7):516-536. doi:10.2174/1386207319666160506123715
39. Díaz-Tielas C, Graña E, Reigosa MJ, Sánchez-Morreiras AM. BIOLOGICAL ACTIVITIES AND NOVEL APPLICATIONS OF CHALCONES. Planta Daninha. 2016;34(3):607-616. doi:10.1590/s0100-83582016340300022
40. Kumar R, Sharma P, Shard A, Tewary DK, Nadda G, Sinha AK. Chalcones as promising pesticidal agents against diamondback moth (Plutella xylostella): Microwave-assisted synthesis and structure-activity relationship. Med Chem Res. 2012;21(6):922-931. doi:10.1007/s00044-011-9602-8
41. Powles SB, Yu Q. Evolution in Action: Plants Resistant to Herbicides. Annu Rev Plant Biol. 2010;61(1):317-347. doi:10.1146/annurevarplant-042809-112119
42. Plimmer JR, Gammon DW, Ragsdale and NR. Encyclopedia of Agrochemicals. John Wiley Sons, Inc. 2003;17(1981):528-529-751-785-843-1166-1199. doi:10.1002/047126363X
43. Schleifer KJ. Challenges in agrochemicals design. J Cheminform. 2013;5(1):O17. doi:10.1186/1758-2946-5-S1-O17
44. Delaney J, Clarke E, Hughes D, Rice M. Modern agrochemical research: a missed opportunity for drug discovery? Drug Discov Today. 2006;11(17-18):839-845. doi:10.1016/j.drudis.2006.07.002
45. David Tilman, Kenneth G. Cassman, Pamela A. Matson RN& SP. Nature. Nature. 2002;418:671-677.
46. Tilman D, Fargione J, Wolff B, et al. Forecasting agriculturally driven global environmental change. Science (80- ). 2001;292(5515):281-284. doi:10.1126/science.1057544
47. Jeschke P. The unique role of halogen substituents in the design of modern agrochemicals. Pest Manag Sci. 2010;66(1):10-27. doi:10.1002/ps.1829
48. Jeanmart S, Edmunds AJF, Lamberth C, Pouliot M. Synthetic approaches to the 2010-2014 new agrochemicals. Bioorganic Med Chem. 2016;24(3):317-341. doi:10.1016/j.bmc.2015.12.014
49. Castro MJL, Ojeda C, Cirelli AF. Advances in surfactants for agrochemicals. Environ Chem Lett. 2014;12(1):85-95. doi:10.1007/s10311-013-0432-4
50. AOUADA, F. A.; DE MOURA MR. Nanotechnology applied in agriculture: Controlled release of agrochemicals. In: Rai M, Ribeiro C, Mattoso L, Duran N, eds. Nanotechnologies in Food and Agriculture. Cham: Springer International Publishing; 2015:103-118. doi:10.1007/978-3-319-14024-7
51. Desiraju GR. Crystal Engineering: A Holistic View. Angew Chemie Int Ed. 2007;46(44):8342-8356. doi:10.1002/anie.200700534
52. Dubey S, Jhelum V, Patanjali PK. Controlled release agrochemicals formulations: A review. J Sci Ind Res (India). 2011;70(2):105-112.
53. Jeschke P. Propesticides and their use as agrochemicals. Pest Manag Sci. 2016;72(2):210-225. doi:10.1002/ps.4170
54. Wouters J, Rome S, Quéré L. Monographs of most Frequent Co-Crystal Formers. In: Pharmaceutical Salts and Co-Crystals. RSC; 2011:338-382.
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Publicado
2017-07-03
Como Citar
J. Junior, A. M., Andrade, I. L. de, Vaz, W. F., Napolitano, H. B., & Faria, E. C. M. (2017). Materiais Cristalinos Funcionais e Desenvolvimento Tecnológico. Revista Processos Químicos, 11(22), 41-51. https://doi.org/10.19142/rpq.v11i22.405
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