Using Bar Infrared Spectra and Coincidence Indexes to Study the Diversity of Solid Cyanuric Acid Structures

Detalhes bibliográficos
Autor(a) principal: Nilo,Marcela C. B. G.
Data de Publicação: 2018
Outros Autores: Simões,Thais G., Costa Neto,Claudio
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Journal of the Brazilian Chemical Society (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532018000701499
Resumo: A general method was developed for studying the diversity of individuals in a population based on the diversity of infrared spectra of solid cyanuric acid analytes obtained from various reactions of trichlorocyanuric acid. This method first generates infrared bar spectra for the analytes and then measures the coincidence and continence among pairs of the spectral peaks via confrontation matrices. Class markers are established to characterize analyte classes. Possible correlations among the employed reaction conditions and the nature of the produced solids, which are based on their infrared bar spectra, are discussed. The method of coincidence may be useful for characterizing polymorphs, particularly those of active pharmaceutical ingredients (APIs). The method may also be extended to define the homogeneity of solid analytes. The ANALIN module of the ANALOR software suite running on a dBase platform is used to generate the bar infrared spectra and to handle all calculations.
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spelling Using Bar Infrared Spectra and Coincidence Indexes to Study the Diversity of Solid Cyanuric Acid Structuresinfrared bar spectracoincidence indexescyanuric acidtrichloroisocyanuric acidpolymorphismA general method was developed for studying the diversity of individuals in a population based on the diversity of infrared spectra of solid cyanuric acid analytes obtained from various reactions of trichlorocyanuric acid. This method first generates infrared bar spectra for the analytes and then measures the coincidence and continence among pairs of the spectral peaks via confrontation matrices. Class markers are established to characterize analyte classes. Possible correlations among the employed reaction conditions and the nature of the produced solids, which are based on their infrared bar spectra, are discussed. The method of coincidence may be useful for characterizing polymorphs, particularly those of active pharmaceutical ingredients (APIs). The method may also be extended to define the homogeneity of solid analytes. The ANALIN module of the ANALOR software suite running on a dBase platform is used to generate the bar infrared spectra and to handle all calculations.Sociedade Brasileira de Química2018-07-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532018000701499Journal of the Brazilian Chemical Society v.29 n.7 2018reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0103-5053.20180023info:eu-repo/semantics/openAccessNilo,Marcela C. B. G.Simões,Thais G.Costa Neto,Claudioeng2018-06-20T00:00:00Zoai:scielo:S0103-50532018000701499Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2018-06-20T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Using Bar Infrared Spectra and Coincidence Indexes to Study the Diversity of Solid Cyanuric Acid Structures
title Using Bar Infrared Spectra and Coincidence Indexes to Study the Diversity of Solid Cyanuric Acid Structures
spellingShingle Using Bar Infrared Spectra and Coincidence Indexes to Study the Diversity of Solid Cyanuric Acid Structures
Nilo,Marcela C. B. G.
infrared bar spectra
coincidence indexes
cyanuric acid
trichloroisocyanuric acid
polymorphism
title_short Using Bar Infrared Spectra and Coincidence Indexes to Study the Diversity of Solid Cyanuric Acid Structures
title_full Using Bar Infrared Spectra and Coincidence Indexes to Study the Diversity of Solid Cyanuric Acid Structures
title_fullStr Using Bar Infrared Spectra and Coincidence Indexes to Study the Diversity of Solid Cyanuric Acid Structures
title_full_unstemmed Using Bar Infrared Spectra and Coincidence Indexes to Study the Diversity of Solid Cyanuric Acid Structures
title_sort Using Bar Infrared Spectra and Coincidence Indexes to Study the Diversity of Solid Cyanuric Acid Structures
author Nilo,Marcela C. B. G.
author_facet Nilo,Marcela C. B. G.
Simões,Thais G.
Costa Neto,Claudio
author_role author
author2 Simões,Thais G.
Costa Neto,Claudio
author2_role author
author
dc.contributor.author.fl_str_mv Nilo,Marcela C. B. G.
Simões,Thais G.
Costa Neto,Claudio
dc.subject.por.fl_str_mv infrared bar spectra
coincidence indexes
cyanuric acid
trichloroisocyanuric acid
polymorphism
topic infrared bar spectra
coincidence indexes
cyanuric acid
trichloroisocyanuric acid
polymorphism
description A general method was developed for studying the diversity of individuals in a population based on the diversity of infrared spectra of solid cyanuric acid analytes obtained from various reactions of trichlorocyanuric acid. This method first generates infrared bar spectra for the analytes and then measures the coincidence and continence among pairs of the spectral peaks via confrontation matrices. Class markers are established to characterize analyte classes. Possible correlations among the employed reaction conditions and the nature of the produced solids, which are based on their infrared bar spectra, are discussed. The method of coincidence may be useful for characterizing polymorphs, particularly those of active pharmaceutical ingredients (APIs). The method may also be extended to define the homogeneity of solid analytes. The ANALIN module of the ANALOR software suite running on a dBase platform is used to generate the bar infrared spectra and to handle all calculations.
publishDate 2018
dc.date.none.fl_str_mv 2018-07-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532018000701499
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532018000701499
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.21577/0103-5053.20180023
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Journal of the Brazilian Chemical Society v.29 n.7 2018
reponame:Journal of the Brazilian Chemical Society (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Journal of the Brazilian Chemical Society (Online)
collection Journal of the Brazilian Chemical Society (Online)
repository.name.fl_str_mv Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv ||office@jbcs.sbq.org.br
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