Antonia Marli dos Santos, S. C. Neto, G. O. Chierice
Os poliuretanos sao polimeros cuja polimerizacao ocorre pela reacao dos grupos isocianatos (NCO) com grupos hidroxilas (OH). Geralmente os poliuretanos se apresenta na forma bicomponente que podem ser um pre-polimero contendo grupos NCO livre e um poliol contendo grupos hidroxilas livre. Neste trabalho e feito um estudo do comportamento de um poliuretano derivado de oleo vegetal, bicomponente polimerizado com diferentes relacoes NCO/OH utilizando as tecnicas de analise termica (TG/DTG), juntamente a espectrometria de absorcao na regiao do infravermelho. Amostras de poliuretano derivado do oleo de mamona com diferentes relacoes de NCO/OH.
{"title":"INFLUÊNCIA DA RELAÇÃO NCO/OH NO ESTUDO DO COMPORTAMENTO TÉRMICO DO POLIURETANO DERIVADO DE ÓLEO VEGETAL","authors":"Antonia Marli dos Santos, S. C. Neto, G. O. Chierice","doi":"10.18362/BJTA.V3I1-2.19","DOIUrl":"https://doi.org/10.18362/BJTA.V3I1-2.19","url":null,"abstract":"Os poliuretanos sao polimeros cuja polimerizacao ocorre pela reacao dos grupos isocianatos (NCO) com grupos hidroxilas (OH). Geralmente os poliuretanos se apresenta na forma bicomponente que podem ser um pre-polimero contendo grupos NCO livre e um poliol contendo grupos hidroxilas livre. Neste trabalho e feito um estudo do comportamento de um poliuretano derivado de oleo vegetal, bicomponente polimerizado com diferentes relacoes NCO/OH utilizando as tecnicas de analise termica (TG/DTG), juntamente a espectrometria de absorcao na regiao do infravermelho. Amostras de poliuretano derivado do oleo de mamona com diferentes relacoes de NCO/OH.","PeriodicalId":9282,"journal":{"name":"Brazilian Journal of Thermal Analysis","volume":"20 1","pages":"1-4"},"PeriodicalIF":0.0,"publicationDate":"2014-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91277713","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
F. Caires, Danilo José Coura Gomes, Andréa Cristina Gigante, L. S. Lima, Claudio Teodoro Carvalho, M. Ionashiro
Thermal stability and thermal decomposition of malonic acid, sodium malonate and its compounds with Mn(II), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) were investigated employing simultaneous thermogravimetry and differential thermal analysis (TG-DTA), differential scanning calorimetry (DSC) in N 2 and CO 2 atmospheres and TG-FTIR in N 2 atmosphere. The thermal decomposition of malonic acid occurs with decarboxylation followed by the formation of acetic acid in both atmospheres. For sodium malonate the thermal decomposition occurs with formation of sodium carbonate, and for the transition metal malonates the final residue was: MnO (N 2 , CO 2 ),FeO (N 2 ), Fe 3 O 4 (CO 2 ), Co + CoO (N 2 ), CoO (CO 2 ), Ni (N 2 , CO 2 ), Cu (N 2 , CO 2 ) and ZnO (N 2 , CO 2 ).
采用同步热重-差热分析(TG-DTA)、差示扫描量热分析(DSC)、n2气氛下的TG-FTIR，研究了丙二酸、丙二酸钠及其化合物与Mn(II)、Fe(II)、Co(II)、Ni(II)、Cu(II)和Zn(II)的热稳定性和热分解。丙二酸的热分解发生脱羧，然后在两种气氛下形成乙酸。丙二酸钠在生成碳酸钠时发生热分解，过渡金属丙二酸盐的最终残渣为:MnO (n2, CO 2)、FeO (n2)、fe3o2 (CO 2)、CO + CoO (n2)、CoO (CO 2)、Ni (n2, CO 2)、Cu (n2, CO 2)和ZnO (n2, CO 2)。
{"title":"Thermal behavior of malonic acid, sodium malonate and its compounds with some bivalent transition metal ions in dynamic N2 and CO2 atmospheres","authors":"F. Caires, Danilo José Coura Gomes, Andréa Cristina Gigante, L. S. Lima, Claudio Teodoro Carvalho, M. Ionashiro","doi":"10.18362/BJTA.V2I1.4","DOIUrl":"https://doi.org/10.18362/BJTA.V2I1.4","url":null,"abstract":"Thermal stability and thermal decomposition of malonic acid, sodium malonate and its compounds with Mn(II), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) were investigated employing simultaneous thermogravimetry and differential thermal analysis (TG-DTA), differential scanning calorimetry (DSC) in N 2 and CO 2 atmospheres and TG-FTIR in N 2 atmosphere. The thermal decomposition of malonic acid occurs with decarboxylation followed by the formation of acetic acid in both atmospheres. For sodium malonate the thermal decomposition occurs with formation of sodium carbonate, and for the transition metal malonates the final residue was: MnO (N 2 , CO 2 ),FeO (N 2 ), Fe 3 O 4 (CO 2 ), Co + CoO (N 2 ), CoO (CO 2 ), Ni (N 2 , CO 2 ), Cu (N 2 , CO 2 ) and ZnO (N 2 , CO 2 ).","PeriodicalId":9282,"journal":{"name":"Brazilian Journal of Thermal Analysis","volume":"85 1","pages":"12-16"},"PeriodicalIF":0.0,"publicationDate":"2014-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88780272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Luis Henrique Bembo Filho, E. Y. Ionashiro, Claudio Teodoro Carvalho, A. B. Siqueira
Solid state M(2-MeO-BP) 2 compounds, where M stands for bivalent alkali earth metal ions (Mg, Ca, Srand Ba) and 2-MeO-BP is 2-methoxybenzylidenepyruvate, have been synthesized. Simultaneous thermogravimetry and differential thermal analysis (TG-DTA), differential scanning calorimetry (DSC), infrared spectroscopy, elemental analysis and complexometry, were used to investigate these compounds. The dehydration of magnesium, strontium and barium compounds occurs in a single step, while for calcium compound the dehydration occurs in two steps. The thermal decomposition of the anhydrous compounds occurs with the formation of carbonate as intermediate, except for the magnesium compound. The results also provided information about the composition, coordination mode, thermal behaviour and thermal decomposition of isolated compounds.
{"title":"Synthesis, characterization and thermal behavior of solid state 2-methoxybenzylidenepyruvate of alkali earth metals, except beryllium and radium","authors":"Luis Henrique Bembo Filho, E. Y. Ionashiro, Claudio Teodoro Carvalho, A. B. Siqueira","doi":"10.18362/BJTA.V2I1.5","DOIUrl":"https://doi.org/10.18362/BJTA.V2I1.5","url":null,"abstract":"Solid state M(2-MeO-BP) 2 compounds, where M stands for bivalent alkali earth metal ions (Mg, Ca, Srand Ba) and 2-MeO-BP is 2-methoxybenzylidenepyruvate, have been synthesized. Simultaneous thermogravimetry and differential thermal analysis (TG-DTA), differential scanning calorimetry (DSC), infrared spectroscopy, elemental analysis and complexometry, were used to investigate these compounds. The dehydration of magnesium, strontium and barium compounds occurs in a single step, while for calcium compound the dehydration occurs in two steps. The thermal decomposition of the anhydrous compounds occurs with the formation of carbonate as intermediate, except for the magnesium compound. The results also provided information about the composition, coordination mode, thermal behaviour and thermal decomposition of isolated compounds.","PeriodicalId":9282,"journal":{"name":"Brazilian Journal of Thermal Analysis","volume":"42 1","pages":"1-5"},"PeriodicalIF":0.0,"publicationDate":"2014-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84071711","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
J. R. Locatelli, E. Y. Ionashiro, F. Caires, C. T. Carvalho
In this study, compounds of hydrated lanthanide malonates were synthesized by precipitation of sodium malonates ion. Quantitative studies of the compounds obtained in the solid state, as well as the thermal behavior of these compounds were performed by thermal analysis (TG-DTA and DSC). Additional complementary studies were also performed using X-ray diffraction by the powder method (XRD), Evolved Gas Analysis (EGA) and complexometric titration with EDTA. Thus, the compounds synthesized in this work, ranging from lanthanum to gadolinium, were studied mainly in relation to their thermal properties, enabling to establish the stoichiometry, the decomposition steps and identify by EGA the main volatile products released during the decomposition. The qualitative study by XRD and FT-IR showed that the compounds were obtained in the crystalline state and metal-ligand coordination occurs by bidentate bonding and /or bridge, respectively. The interest in these compounds is due to the several applications of malonate ion, such as industrial and biological, not to mention that the coordination of the lanthanide ions to the malonate ligand can provide them new properties which could be studied and explored forward.
{"title":"Synthesis, Characterization and Thermal Behavior of Solid-State Compounds of Light Trivalent Lanthanide Malonates","authors":"J. R. Locatelli, E. Y. Ionashiro, F. Caires, C. T. Carvalho","doi":"10.18362/BJTA.V2I1.6","DOIUrl":"https://doi.org/10.18362/BJTA.V2I1.6","url":null,"abstract":"In this study, compounds of hydrated lanthanide malonates were synthesized by precipitation of sodium malonates ion. Quantitative studies of the compounds obtained in the solid state, as well as the thermal behavior of these compounds were performed by thermal analysis (TG-DTA and DSC). Additional complementary studies were also performed using X-ray diffraction by the powder method (XRD), Evolved Gas Analysis (EGA) and complexometric titration with EDTA. Thus, the compounds synthesized in this work, ranging from lanthanum to gadolinium, were studied mainly in relation to their thermal properties, enabling to establish the stoichiometry, the decomposition steps and identify by EGA the main volatile products released during the decomposition. The qualitative study by XRD and FT-IR showed that the compounds were obtained in the crystalline state and metal-ligand coordination occurs by bidentate bonding and /or bridge, respectively. The interest in these compounds is due to the several applications of malonate ion, such as industrial and biological, not to mention that the coordination of the lanthanide ions to the malonate ligand can provide them new properties which could be studied and explored forward.","PeriodicalId":9282,"journal":{"name":"Brazilian Journal of Thermal Analysis","volume":"237 1","pages":"23-30"},"PeriodicalIF":0.0,"publicationDate":"2014-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80373977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
E. G. Araújo, F. E. Morais, E. Santos, C. Martínez-Huitle, Márcia Gorette Lima da Silva, S. P. M. C. Souza, N. S. Fernandes
The present study utilized thermogravimetry (TG) and optical emission spectroscopy with inductively coupled plasma (ICP/OES) to determine the amount of calcium in calcium citrate tablets, which are used for the treatment of osteoporosis. The samples were characterized using Fourier transform infrared spectroscopy (FTIR), termogravimetry/derivative thermogravimetry (TG/DTG), differential thermal analysis (DTA), differential scanning calorimetry (DSC) and X-ray diffraction (XRD). In the DTA and DSC curves obtained, both endo- and exothermic events were observed, which are indicative of dehydration and decomposition, respectively. The X-ray diffractograms showed that the samples present crystallinity. Additionally, peaks observed in the X-ray diffractograms indicate the presence of a calcium hydroxide residue due to the reaction between calcium oxide with moisture in the air. The calcium content obtained by TG from the tablet sample (17.77%) was similar to that obtained using ICP-OES (16.84%).
{"title":"Determination of calcium in tablets containing calcium citrate using thermogravimetry (TG)","authors":"E. G. Araújo, F. E. Morais, E. Santos, C. Martínez-Huitle, Márcia Gorette Lima da Silva, S. P. M. C. Souza, N. S. Fernandes","doi":"10.18362/BJTA.V2I1.7","DOIUrl":"https://doi.org/10.18362/BJTA.V2I1.7","url":null,"abstract":"The present study utilized thermogravimetry (TG) and optical emission spectroscopy with inductively coupled plasma (ICP/OES) to determine the amount of calcium in calcium citrate tablets, which are used for the treatment of osteoporosis. The samples were characterized using Fourier transform infrared spectroscopy (FTIR), termogravimetry/derivative thermogravimetry (TG/DTG), differential thermal analysis (DTA), differential scanning calorimetry (DSC) and X-ray diffraction (XRD). In the DTA and DSC curves obtained, both endo- and exothermic events were observed, which are indicative of dehydration and decomposition, respectively. The X-ray diffractograms showed that the samples present crystallinity. Additionally, peaks observed in the X-ray diffractograms indicate the presence of a calcium hydroxide residue due to the reaction between calcium oxide with moisture in the air. The calcium content obtained by TG from the tablet sample (17.77%) was similar to that obtained using ICP-OES (16.84%).","PeriodicalId":9282,"journal":{"name":"Brazilian Journal of Thermal Analysis","volume":"49 1","pages":"17-22"},"PeriodicalIF":0.0,"publicationDate":"2014-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81032653","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. M. Horn, Márcio Nunes De Paula, V. Martins, A. M. G. Plepis
Os hidrogeis tem sido estudados para aplicacoes biomedicas, como em sistemas de liberacao de farmacos e em engenharia de tecidos. Os materiais contendo fosfato de calcio tem sido frequentemente utilizados para a substituicao e reconstituicao de defeitos osseos. Assim, este trabalho descreve a obtencao de hidrogeis mineralizados e sua posterior caracterizacao. A quantificacao do teor de mineralizacao foi determinada por termogravimetria, sendo encontrados valores em torno de 40% de calcificacao, que corresponde a valores de residuo a 750 o C. Os resultados por EDX e raios-X indicam que o fosfato de calcio depositado e hidroxiapatita estequiometrica e que os cristais estao distribuidos na superficie dos hidrogeis.
{"title":"Uso de curvas termogravimétricas para a determinação do teor de mineralização em hidrogéis","authors":"M. M. Horn, Márcio Nunes De Paula, V. Martins, A. M. G. Plepis","doi":"10.18362/BJTA.V2I1.12","DOIUrl":"https://doi.org/10.18362/BJTA.V2I1.12","url":null,"abstract":"Os hidrogeis tem sido estudados para aplicacoes biomedicas, como em sistemas de liberacao de farmacos e em engenharia de tecidos. Os materiais contendo fosfato de calcio tem sido frequentemente utilizados para a substituicao e reconstituicao de defeitos osseos. Assim, este trabalho descreve a obtencao de hidrogeis mineralizados e sua posterior caracterizacao. A quantificacao do teor de mineralizacao foi determinada por termogravimetria, sendo encontrados valores em torno de 40% de calcificacao, que corresponde a valores de residuo a 750 o C. Os resultados por EDX e raios-X indicam que o fosfato de calcio depositado e hidroxiapatita estequiometrica e que os cristais estao distribuidos na superficie dos hidrogeis.","PeriodicalId":9282,"journal":{"name":"Brazilian Journal of Thermal Analysis","volume":"51 1","pages":"50-54"},"PeriodicalIF":0.0,"publicationDate":"2013-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77748508","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
L. P. Cordoba, L. S. Ribeiro, T. Colman, Cristina Soltovski de Oliveira, M. M. P. Andrade, F. J. O. G. D. Costa, E. Schnitzler
The main objective of the present work was to study the thermal properties and rheological behavior of natural and modified organic cassava starch with standard solutions of hydrochloric acid in concentrations 0.1 and 0.2 mol L -1 and in temperatures 25 and 45oC, respectively, as well as verify the structural changes up to the surface of granules. The results allowed us to establish the relationship between the viscosity (RVA), the thermal properties (TG-DTA, DSC) and changes in the morphology of granules (NC-AFM). The major modifications in all the studied properties of the starch granules occurs in those treated with standard HCl at room temperature (25 oC), proportionally to higher concentrations.
本研究的主要目的是研究天然和改性有机木薯淀粉在浓度分别为0.1和0.2 mol L -1的盐酸标准溶液和温度分别为25和45℃的条件下的热性能和流变行为，并验证颗粒表面的结构变化。结果使我们能够建立粘度(RVA)，热性能(TG-DTA, DSC)和颗粒形态变化(NC-AFM)之间的关系。在室温下(25℃)用标准盐酸处理过的淀粉颗粒，其所有研究性质的主要变化与浓度的增加成正比。
{"title":"Effect of hydrochloric acid in different concentrations and temperatures up to some properties of organic cassava starch","authors":"L. P. Cordoba, L. S. Ribeiro, T. Colman, Cristina Soltovski de Oliveira, M. M. P. Andrade, F. J. O. G. D. Costa, E. Schnitzler","doi":"10.18362/BJTA.V2I1.8","DOIUrl":"https://doi.org/10.18362/BJTA.V2I1.8","url":null,"abstract":"The main objective of the present work was to study the thermal properties and rheological behavior of natural and modified organic cassava starch with standard solutions of hydrochloric acid in concentrations 0.1 and 0.2 mol L -1 and in temperatures 25 and 45oC, respectively, as well as verify the structural changes up to the surface of granules. The results allowed us to establish the relationship between the viscosity (RVA), the thermal properties (TG-DTA, DSC) and changes in the morphology of granules (NC-AFM). The major modifications in all the studied properties of the starch granules occurs in those treated with standard HCl at room temperature (25 oC), proportionally to higher concentrations.","PeriodicalId":9282,"journal":{"name":"Brazilian Journal of Thermal Analysis","volume":"1 1","pages":"6-11"},"PeriodicalIF":0.0,"publicationDate":"2013-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86543138","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pyrrolidinedithiocarbamate (Pyr), piperidinedithiocarbamate (Pip), morpholinedithiocarbamate (Mor), diethanolaminedithiocarbamate (DEDC) and hexamethylenedithiocarbamate (Hex) sodium and potassium salts, were synthesized, characterized by IR, elemental analysis, 1 H and 13 C NMR and their thermal behaviors were investigated using thermogravimetry (TG) and differential scanning calorimetry (DSC). The decomposition of sodium salts occurred in different manner depending on the nature of the substituent, generating sodium polysulphides. The potassium salts decomposed via thiocyanate as predicted in the literature.Pyrrolidinedithiocarbamate (Pyr), piperidinedithiocarbamate (Pip), morpholinedithiocarbamate (Mor), diethanolaminedithiocarbamate (DEDC) and hexamethylenedithiocarbamate (Hex) sodium and potassium salts, were synthesized, characterized by IR, elemental analysis, 1 H and 13 C NMR and their thermal behaviors were investigated using thermogravimetry (TG) and differential scanning calorimetry (DSC). The decomposition of sodium salts occurred in different manner depending on the nature of the substituent, generating sodium polysulphides. The potassium salts decomposed via thiocyanate as predicted in the literature.
{"title":"Preparation, characterization and thermal decomposition of sodium and potassium salts of dithiocarbamate","authors":"L. A. Ramos, É. Cavalheiro","doi":"10.18362/BJTA.V2I1.11","DOIUrl":"https://doi.org/10.18362/BJTA.V2I1.11","url":null,"abstract":"Pyrrolidinedithiocarbamate (Pyr), piperidinedithiocarbamate (Pip), morpholinedithiocarbamate (Mor), diethanolaminedithiocarbamate (DEDC) and hexamethylenedithiocarbamate (Hex) sodium and potassium salts, were synthesized, characterized by IR, elemental analysis, 1 H and 13 C NMR and their thermal behaviors were investigated using thermogravimetry (TG) and differential scanning calorimetry (DSC). The decomposition of sodium salts occurred in different manner depending on the nature of the substituent, generating sodium polysulphides. The potassium salts decomposed via thiocyanate as predicted in the literature.Pyrrolidinedithiocarbamate (Pyr), piperidinedithiocarbamate (Pip), morpholinedithiocarbamate (Mor), diethanolaminedithiocarbamate (DEDC) and hexamethylenedithiocarbamate (Hex) sodium and potassium salts, were synthesized, characterized by IR, elemental analysis, 1 H and 13 C NMR and their thermal behaviors were investigated using thermogravimetry (TG) and differential scanning calorimetry (DSC). The decomposition of sodium salts occurred in different manner depending on the nature of the substituent, generating sodium polysulphides. The potassium salts decomposed via thiocyanate as predicted in the literature.","PeriodicalId":9282,"journal":{"name":"Brazilian Journal of Thermal Analysis","volume":"22 1","pages":"38-44"},"PeriodicalIF":0.0,"publicationDate":"2013-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73860515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
D. Gálico, R. B. Guerra, A. O. Legendre, E. Schnitzler, R. Mendes, G. Bannach
Thermogravimetry (TG), differential thermal analysis (DTA), differential scanning calorimetry (DSC) and Fourier transformed infrared spectroscopy (IR) were used to study amoxicillin trihydrate. The thermal behavior and physical properties of the studied compound were established and coupled TG-IR analyses were used to suggest some decomposition products. In this investigation, quantum chemical approach was used to determine the molecular structures using Becke three-parameter hybrid method and the Lee–Yang–Par (LYP) correlation functional. The performed molecular calculations in this work were done using the Gaussian 09 routine. The theoretical calculations helped us interpret the IR spectra, which supply structural and physicochemical information.
{"title":"Solid state thermal and spectroscopic studies on the antibiotic amoxicillin trihydrate","authors":"D. Gálico, R. B. Guerra, A. O. Legendre, E. Schnitzler, R. Mendes, G. Bannach","doi":"10.18362/BJTA.V2I1.10","DOIUrl":"https://doi.org/10.18362/BJTA.V2I1.10","url":null,"abstract":"Thermogravimetry (TG), differential thermal analysis (DTA), differential scanning calorimetry (DSC) and Fourier transformed infrared spectroscopy (IR) were used to study amoxicillin trihydrate. The thermal behavior and physical properties of the studied compound were established and coupled TG-IR analyses were used to suggest some decomposition products. In this investigation, quantum chemical approach was used to determine the molecular structures using Becke three-parameter hybrid method and the Lee–Yang–Par (LYP) correlation functional. The performed molecular calculations in this work were done using the Gaussian 09 routine. The theoretical calculations helped us interpret the IR spectra, which supply structural and physicochemical information.","PeriodicalId":9282,"journal":{"name":"Brazilian Journal of Thermal Analysis","volume":"71 1","pages":"45-49"},"PeriodicalIF":0.0,"publicationDate":"2013-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84283684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
O Cetoprofeno e um farmaco antiinflamatorio nao-esteroide (AINE) com alto poder analgesico e propriedades anti-reumaticas. O objetivo deste trabalho foi estudar o comportamento termico do farmaco Cetoprofeno e suas possiveis interacoes com os excipientes Estearato de Magnesio e Lactose, bem como do medicamento, utilizando-se das curvas TG-DTA e DSC destes compostos isoladamente e de misturas dos mesmos. A Termogravimetria e a Calorimetria Exploratoria Diferencial tem sido metodos alternativos muito uteis no estudo de possiveis interacoes entre os componentes (farmaco e excipientes) de um medicamento, na determinacao do ponto de fusao, na avaliacao de polimorfismo e da pureza de um farmaco, apesar de nao ser preconizado pela Farmacopeia Brasileira. Os metodos termoanaliticos usados mostraram que o Cetoprofeno analisado e puro e que ha compatibilidade com a lactose, sendo necessario o uso de outras tecnicas, como absorcao na regiao do infravermelho e difratometria de raios X, para verificar a compatibilidade deste farmaco com o excipiente Estearato de magnesio.
{"title":"Comportamento térmico do fármaco e do medicamento contendo Cetoprofeno","authors":"Auriel Guedes Pompeu, Andréia Peraro-Nascimento, Lazaro Moscardini D’ Assunção","doi":"10.18362/BJTA.V2I1.9","DOIUrl":"https://doi.org/10.18362/BJTA.V2I1.9","url":null,"abstract":"O Cetoprofeno e um farmaco antiinflamatorio nao-esteroide (AINE) com alto poder analgesico e propriedades anti-reumaticas. O objetivo deste trabalho foi estudar o comportamento termico do farmaco Cetoprofeno e suas possiveis interacoes com os excipientes Estearato de Magnesio e Lactose, bem como do medicamento, utilizando-se das curvas TG-DTA e DSC destes compostos isoladamente e de misturas dos mesmos. A Termogravimetria e a Calorimetria Exploratoria Diferencial tem sido metodos alternativos muito uteis no estudo de possiveis interacoes entre os componentes (farmaco e excipientes) de um medicamento, na determinacao do ponto de fusao, na avaliacao de polimorfismo e da pureza de um farmaco, apesar de nao ser preconizado pela Farmacopeia Brasileira. Os metodos termoanaliticos usados mostraram que o Cetoprofeno analisado e puro e que ha compatibilidade com a lactose, sendo necessario o uso de outras tecnicas, como absorcao na regiao do infravermelho e difratometria de raios X, para verificar a compatibilidade deste farmaco com o excipiente Estearato de magnesio.","PeriodicalId":9282,"journal":{"name":"Brazilian Journal of Thermal Analysis","volume":"40 1","pages":"31-37"},"PeriodicalIF":0.0,"publicationDate":"2013-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86986879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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