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1.
Spectrochim Acta A Mol Biomol Spectrosc ; 298: 122800, 2023 Oct 05.
Artigo em Inglês | MEDLINE | ID: mdl-37156174

RESUMO

L-histidinium hydrogen oxalate (L-HisH)(HC2O4) crystal is formed from amino acid. L-histidine with oxalic acid whose vibrational high pressures behavior have not yet been investigated in the literature. Here we synthesized (L-HisH)(HC2O4) crystal by slow solvent evaporation method in a 1:1 ratio of L-histidine and oxalic acid. In addition, a vibrational study of (L-HisH)(HC2O4) crystal as a function of pressure was performed via Raman spectroscopy in the pressure range of 0.0-7.3 GPa. From analysis of the behavior of the bands within 1.5-2.8 GPa, characterized by the disappearance of lattice modes, the occurrence of a conformational phase transition was noted. A second phase transition, now from structural type, close to 5.1 GPa was observed due to the incidence of considerable changes in lattice and internal modes, mainly in vibrational modes related to imidazole ring motions.

2.
Chem Biodivers ; 20(2): e202200888, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36703594

RESUMO

Aiming of self-sustainable production, the search for biodegradable and biocompatible materials has brought with it the need to know the physicochemical and dielectric characteristics of polysaccharide-based composite structures, which can be used as important and promising raw materials for biotechnology and electronic industries. Galactomannans are polysaccharides, extracted from seeds and microbiological sources, consisting of mannose and galactose. In this context, this work aimed to extract, purify and characterize by XRD, FTIR and impedance spectroscopy galactomannan obtained from seeds of Adenanthera pavonina L. The purification process was made with ethyl alcohol at concentrations of 70, 80 and 90 %. Polymeric films were prepared by solvent slow evaporation at low temperatures. XRD measurements revealed that Galactomannan from Adenanthera pavonina L., after purification, has a semi-crystalline structure due to the identification of two peaks the first between 5.849° and 6.118° and the second between 20.011° and 20.247°. FTIR spectra showed the functional groups associated with monosaccharides of the galactomannan from Adenanthera pavonina L. seeds, as well as the typical polysaccharide bands and peaks, confirmed by literature data. The impedance results give an increment on the state-of-the-art of this biomaterial by showing the existence of dielectric relaxations, independent of the degree of purification, using the dielectric modulus formalism. The permittivity analysis reveals the presence of water in the structure of the film, whose dipoles contribute to the relatively high value of the dielectric constant. From the results obtained, it can be concluded that purified galactomannan has the potential for possible applications in the electronics industry as a green and eco-friendly dielectric material.


Assuntos
Fabaceae , Mananas , Mananas/análise , Mananas/química , Fabaceae/química , Polissacarídeos/química , Galactose , Sementes/química , Materiais Biocompatíveis
3.
Braz J Med Biol Res ; 55: e12273, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-36383802

RESUMO

The association between exposure to air pollutants and respiratory diseases is well known. This study aimed to identify the association between this exposure and hospitalizations for COVID-19 in São José dos Campos, SP, a medium-sized city, between April 2020 and April 2021. Hospitalization data, concerning code B34.2, was supplied by DATASUS, and data concerning pollutants and climate variables were supplied by CETESB. Cases were quantified by sex, age, length of hospital stay in days, and type of discharge, whether hospital discharge or death. The negative binomial regression model was chosen. Estimates were produced for the relative risk (RR) of significant exposure to pollutants (P≤0.05) with a 10 µg/m3 increase of pollutant, as well as for excess hospitalizations. There were 1873 hospitalizations, with a daily average of 4.7 (±3.8), ranging from zero to 21: 716 deaths (38.2%) were recorded, 1065 admissions were men, and women were less susceptible (OR=0.82). The average age of women was higher than that of men; in cases of death, men were older than women; discharged patients were younger. All the above variables were significant. The risk of ozone exposure was higher and more significant in Lag 2, and the risk of nitrogen dioxide exposure was high in Lag 3, which was the period of the highest increase in hospitalizations, at 11.3%. The findings of this study, the first conducted in Brazil, corroborate the results of studies conducted in other centers.


Assuntos
Poluentes Atmosféricos , Poluição do Ar , COVID-19 , Masculino , Humanos , Feminino , Brasil/epidemiologia , Poluição do Ar/efeitos adversos , Poluentes Atmosféricos/efeitos adversos , Poluentes Atmosféricos/análise , Hospitalização , Material Particulado
4.
Spectrochim Acta A Mol Biomol Spectrosc ; 283: 121716, 2022 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-35961206

RESUMO

Crystals of l-asparagine monohydrate doped with Fe(III) were studied by Raman spectroscopy in a diamond anvil cell (DAC) in the spectral range from 100 to 3200 cm-1 and pressures up to 9.2 GPa. The behavior of external modes suggests conformational changes between 3.0 and 4.0 GPa mainly affecting the CH2 group. X-ray diffraction measurements with synchrotron radiation were performed in the angular range from 3 to 12 degrees (2θ) up to 9.3 GPa. The lattice parameters contract up to 9.3 GPa, with the exception of parameter b, which exhibits expansion from 7.2 GPa. The lattice parameters exhibit discontinuities between 3.0 and 4.0 GPa, this effect is compatible with conformational changes. Such modifications occur without a change in symmetry, at least up to 9.3 GPa. Under decompression, down to atmospheric pressure, the original Raman spectrum is recovered, showing that the conformational change and the other changes are all reversible.


Assuntos
Asparagina , Análise Espectral Raman , Compostos Férricos , Pressão , Síncrotrons , Difração de Raios X
5.
Braz J Med Biol Res ; 55: e12072, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-35766708

RESUMO

Constitutional genomic imbalances are known to cause malformations, disabilities, neurodevelopmental delay, and dysmorphia and can lead to dysfunctions in the cell cycle. In extremely rare genetic conditions such as small supernumerary marker chromosomes (sSMC), it is important to understand the cellular consequences of this extra marker, as well the factors that contribute to their maintenance or elimination through successive cell cycles and phenotypic impact. The study of chromosomal mosaicism provides a natural model to characterize the effect of aneuploidy on genome stability and compare cells with the same genetic background and environment exposure, but differing in the presence of sSMC. Here, we report the functional characterization of different cell lines from two familial patients with mosaic sSMC derived from chromosome 12. We performed studies of proliferation dynamics, stability, and variability of these cells using fluorescent in situ hybridization (FISH), sister chromatid exchanges (SCE), and conventional staining. We also quantified the telomere-related genomic instability of sSMC cells using 3D telomeric profile analysis by quantitative-FISH. sSMC cells exhibited differences in the cell cycle dynamics compared to normal cells. First, the sSMC cells exhibited lower proliferation index and higher frequency of SCE than normal cells, associated with a higher level of chromosomal instability. Second, sSMC cells exhibited more telomeric-related genomic instability. Lastly, the differences of sSMC cells distribution among tissues could explain different phenotypic repercussions observed in patients. These results will help in our understanding of the sSMC stability, maintenance during cell cycle, and the cell cycle variables involved in the different phenotypic manifestations.


Assuntos
Cromossomos Humanos Par 12 , Mosaicismo , Pai , Marcadores Genéticos/genética , Instabilidade Genômica/genética , Humanos , Hibridização in Situ Fluorescente , Masculino , Núcleo Familiar
6.
Spectrochim Acta A Mol Biomol Spectrosc ; 272: 120944, 2022 May 05.
Artigo em Inglês | MEDLINE | ID: mdl-35151163

RESUMO

Raman spectroscopy and synchrotron radiation X-ray diffraction have been used to study the effect of pressure on 2-(-α-methylbenzylamino)-5-dinitropyridine (MBANP). Several changes are observed with increasing pressure in the Raman spectra of this system, such as splitting of various bands and disappearance of bands. Discontinuous shifts in wavenumber vs pressure plot indicate that a conformational phase transition takes place around 0.5 GPa. The behavior of the Raman spectra indicates that MBANP molecules present conformational phase transition at high-pressure. X-ray diffraction, performed with synchrotron radiation, confirms the conformational changes observed by Raman experiments around 0.5 GPa. The pressure provokes a rotational movement of the benzene ring which can be associated with the conformational phase transition.


Assuntos
Análise Espectral Raman , Síncrotrons , Conformação Molecular , Transição de Fase , Análise Espectral Raman/métodos , Difração de Raios X
7.
Spectrochim Acta A Mol Biomol Spectrosc ; 271: 120883, 2022 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-35042044

RESUMO

Tris(glycinato)chromium(III) monohydrate [Cr(C2H4NO2)3·H2O] crystals were grown through the slow solvent evaporation method. The crystals were studied by Fourier transform infrared (FTIR) and Raman spectroscopy at room temperature. The assignments of vibration modes were performed using the Density Functional Theory (DFT). Thermal analyses (TGA, DTA, and DSC), X-ray diffraction (XRD), and Raman were used to study the phase changes on the crystals under high- and low-temperature conditions. Temperature-dependent XRPD measurements were carried out in the interval of 473-12 K. Several changes were observed in the patterns, like the appearance of new peaks and the disappearance of peaks occurring within 373-393 K due to water loss. In addition, the Raman measurements were performed in the 423-10 K interval. Several changes on the inter and intramolecular vibration bands during the cooling, such as decreasing bands' intensities, the appearance of vibration modes, and discontinuities on the modes' behavior, were observed. These spectral modifications occurred at about 370 K and within 120-220 K, thus, confirming that the crystals undergo two phase changes, one being structural and the other one conformational, respectively, at high- temperature and low-temperature conditions. Finally, thermal investigations corroborated the structural and vibrational results under high temperatures.

8.
J Inorg Biochem ; 226: 111658, 2022 01.
Artigo em Inglês | MEDLINE | ID: mdl-34781206

RESUMO

Chloro(glycinato-N,O)(1,10-phenanthroline-N,N')­copper(II) trihydrate complex was synthesized through the slow evaporation method. The crystal's structural, thermal, magnetic, and vibrational properties were obtained by X-ray powder diffraction (XRPD), thermal analyses, magnetization, Raman, and Fourier-transform infrared (FT-IR) spectroscopy. XRPD results showed that the crystalline complex belongs to a monoclinic system (P21/n). Thermal analyses revealed that around 333 K, the material undergoes a thermodynamically irreversible process. Magnetic data showed a paramagnetic behavior with weak ferromagnetic interactions. Moreover, all the Raman- and infrared-active bands were assigned from computational calculations based on the density functional theory (DFT) to analyze intra-molecular vibrational modes. In addition, the cytotoxic assay on colorectal cancer cells was performed to evaluate the antitumor activity of this ternary compound. Therefore, the antineoplastic activity of [Cu(1,10-phenanthroline)(glycine)Cl]•3H2O complex in HCT-116 cells was confirmed, showing a potent cytotoxic effect.


Assuntos
Antineoplásicos , Neoplasias Colorretais , Complexos de Coordenação , Cobre , Citotoxinas , Animais , Antineoplásicos/química , Antineoplásicos/farmacologia , Neoplasias Colorretais/tratamento farmacológico , Neoplasias Colorretais/metabolismo , Complexos de Coordenação/química , Complexos de Coordenação/farmacologia , Cobre/química , Cobre/farmacologia , Citotoxinas/química , Citotoxinas/farmacologia , Células HCT116 , Humanos , Camundongos , Células RAW 264.7
9.
Braz. j. med. biol. res ; 55: e12072, 2022. tab, graf
Artigo em Inglês | LILACS-Express | LILACS | ID: biblio-1384151

RESUMO

Constitutional genomic imbalances are known to cause malformations, disabilities, neurodevelopmental delay, and dysmorphia and can lead to dysfunctions in the cell cycle. In extremely rare genetic conditions such as small supernumerary marker chromosomes (sSMC), it is important to understand the cellular consequences of this extra marker, as well the factors that contribute to their maintenance or elimination through successive cell cycles and phenotypic impact. The study of chromosomal mosaicism provides a natural model to characterize the effect of aneuploidy on genome stability and compare cells with the same genetic background and environment exposure, but differing in the presence of sSMC. Here, we report the functional characterization of different cell lines from two familial patients with mosaic sSMC derived from chromosome 12. We performed studies of proliferation dynamics, stability, and variability of these cells using fluorescent in situ hybridization (FISH), sister chromatid exchanges (SCE), and conventional staining. We also quantified the telomere-related genomic instability of sSMC cells using 3D telomeric profile analysis by quantitative-FISH. sSMC cells exhibited differences in the cell cycle dynamics compared to normal cells. First, the sSMC cells exhibited lower proliferation index and higher frequency of SCE than normal cells, associated with a higher level of chromosomal instability. Second, sSMC cells exhibited more telomeric-related genomic instability. Lastly, the differences of sSMC cells distribution among tissues could explain different phenotypic repercussions observed in patients. These results will help in our understanding of the sSMC stability, maintenance during cell cycle, and the cell cycle variables involved in the different phenotypic manifestations.

10.
Braz. j. med. biol. res ; 55: e12273, 2022. tab, graf
Artigo em Inglês | LILACS-Express | LILACS | ID: biblio-1403903

RESUMO

The association between exposure to air pollutants and respiratory diseases is well known. This study aimed to identify the association between this exposure and hospitalizations for COVID-19 in São José dos Campos, SP, a medium-sized city, between April 2020 and April 2021. Hospitalization data, concerning code B34.2, was supplied by DATASUS, and data concerning pollutants and climate variables were supplied by CETESB. Cases were quantified by sex, age, length of hospital stay in days, and type of discharge, whether hospital discharge or death. The negative binomial regression model was chosen. Estimates were produced for the relative risk (RR) of significant exposure to pollutants (P≤0.05) with a 10 µg/m3 increase of pollutant, as well as for excess hospitalizations. There were 1873 hospitalizations, with a daily average of 4.7 (±3.8), ranging from zero to 21: 716 deaths (38.2%) were recorded, 1065 admissions were men, and women were less susceptible (OR=0.82). The average age of women was higher than that of men; in cases of death, men were older than women; discharged patients were younger. All the above variables were significant. The risk of ozone exposure was higher and more significant in Lag 2, and the risk of nitrogen dioxide exposure was high in Lag 3, which was the period of the highest increase in hospitalizations, at 11.3%. The findings of this study, the first conducted in Brazil, corroborate the results of studies conducted in other centers.

11.
Spectrochim Acta A Mol Biomol Spectrosc ; 263: 120142, 2021 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-34273890

RESUMO

The high-pressure Raman spectra of L-tyrosine hydrobromide crystal (LTHBr) were obtained from 1.0 atm to 8.1 GPa in the 100-3200 cm-1 spectral region. The structural conformation and dimensions of the monoclinic unit cell were estimated using the powder X-ray diffraction (PXRD) method and Rietveld refinement using the GSAS program. At atmospheric pressure, the Raman spectrum was obtained in the spectral range of 100-3200 cm-1 and the assignment of the normal modes based on density functional theory calculations was provided. Large wavenumber shifts of modes at 106, 123, and 157 were observed, which were interpreted as the large displacement of the atoms, making the molecule a flexible structure. The change in the slope (dÉ· / dP) of these bands between the pressures of 3.0 and 4.0 GPa and the appearance of a mode of low wavenumber indicate the occurrence of a structural phase transition. A band initially observed at 181 cm-1 in the spectrum recorded at 0.7 GPa change the relative intensity with a band at 280 cm-1 (recorded at 5.8 GPa), indicating a conformational transition. In the region of the internal modes, the spectra show changes that reinforce the conformational phase transition since the bands initially at 1247 and 1264 cm-1 observed at 1.0 GPa have their intensities reversed, and at 3.0 GPa it is observed the fusion of the bands at 1264 and 1290 cm-1 (values recorded at ambient pressure). Thus, we can assume that the LTHBr crystal has undergone a structural phase transition and a conformational phase transition in the pressure range investigated.


Assuntos
Análise Espectral Raman , Tirosina , Teoria da Densidade Funcional , Conformação Molecular , Transição de Fase
12.
Urol Case Rep ; 33: 101289, 2020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-32528854

RESUMO

A patient was referred, after neoadjuvant chemotherapy, for pre-surgical evaluation of urothelial bladder carcinoma (single lesion). Two thickenings in the left ureter wall identified on the CT scan were equivocal for malignancy. 18F-FDG PET/CT with delayed pelvic images, hyperhydration, and furosemide showed hypermetabolic ureteral metastases and multifocal bladder tumors. There were no lymph nodes or distant metastases. These 18F-FDG PET/CT findings completely altered the surgical treatment. The patient underwent left nephroureterectomy, radical cystoprostatectomy, and lymphadenectomy, followed by a urinary transit reconstruction. Histopathology confirmed multifocal high-grade urothelial carcinoma in the bladder walls and left ureter and benign lymph nodes.

13.
Spectrochim Acta A Mol Biomol Spectrosc ; 230: 118059, 2020 Apr 05.
Artigo em Inglês | MEDLINE | ID: mdl-32000059

RESUMO

DL-glutamic acid monohydrate crystal was synthesized from an aqueous solution by slow evaporation technique. The crystal was submitted to high-pressure (1 atm-14.3 GPa) to investigate its vibrational behavior and the occurrence of phase transitions. We performed Raman spectroscopy as probe and through the analysis of the spectra we discovered three structural phase transitions. The first one occurs around 0.9 GPa. In this phase transition, glutamic acid molecules suffer modifications in their conformations while water molecules are less affected. The second phase transition at 4.8 GPa involves conformational changes related to CO2-, NH3+ units and the water molecules, while the third one, between 10.9 and 12.4 GPa, involves motions of several parts of the glutamic acid as well as the water molecules. Considering the dynamic of high pressure, the second phase of DL-glutamic acid monohydrate crystal presented a better stability compared with the second phase of its polymorphs α and ß L-glutamic acid. In addition, water molecules seem to play important role on this structural stability. All changes are reversible.


Assuntos
Ácido Glutâmico/química , Conformação Molecular , Transição de Fase , Pressão , Cristalografia por Raios X , Ligação de Hidrogênio , Modelos Moleculares , Análise Espectral Raman
14.
Eur J Nucl Med Mol Imaging ; 46(11): 2235-2243, 2019 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-31367906

RESUMO

PURPOSE: Patients with stage III non-small-cell lung cancer (NSCLC) treated with chemoradiotherapy (CRT) in low- and middle-income countries (LMIC) continue to have a poor prognosis. It is known that FDG PET/CT improves staging, treatment selection and target volume delineation (TVD), and although its use has grown rapidly, it is still not widely available in LMIC. CRT is often used as sequential treatment, but is known to be more effective when given concurrently. The aim of the PERTAIN study was to assess the impact of introducing FDG PET/CT-guided concurrent CRT, supported by training and quality control (QC), on the overall survival (OS) and progression-free survival (PFS) of patients with stage III NSCLC. METHODS: The study included patients with stage III NSCLC from nine medical centres in seven countries. A retrospective cohort was managed according to local practices between January 2010 and July 2014, which involved only optional diagnostic FDG PET/CT for staging (not for TVD), followed by sequential or concurrent CRT. A prospective cohort between August 2015 and October 2018 was treated according to the study protocol including FDG PET/CT in treatment position for staging and multimodal TVD followed by concurrent CRT by specialists trained in protocol-specific TVD and with TVD QC. Kaplan-Meier analysis was used to assess OS and PFS in the retrospective and prospective cohorts. RESULTS: Guidelines for FDG PET/CT image acquisition and TVD were developed and published. All specialists involved in the PERTAIN study received training between June 2014 and May 2016. The PET/CT scanners used received EARL accreditation. In November 2018 a planned interim analysis was performed including 230 patients in the retrospective cohort with a median follow-up of 14 months and 128 patients in the prospective cohort, of whom 69 had a follow-up of at least 1 year. Using the Kaplan-Meier method, OS was significantly longer in the prospective cohort than in the retrospective cohort (23 vs. 14 months, p = 0.012). In addition, median PFS was significantly longer in the prospective cohort than in the retrospective cohort (17 vs. 11 months, p = 0.012). CONCLUSION: In the PERTAIN study, the preliminary results indicate that introducing FDG PET/CT-guided concurrent CRT for patients with stage III NSCLC in LMIC resulted in a significant improvement in OS and PFS. The final study results based on complete data are expected in 2020.


Assuntos
Carcinoma Pulmonar de Células não Pequenas/diagnóstico por imagem , Quimiorradioterapia , Neoplasias Pulmonares/diagnóstico por imagem , Tomografia por Emissão de Pósitrons combinada à Tomografia Computadorizada , Adulto , Idoso , Idoso de 80 Anos ou mais , Brasil , Carcinoma Pulmonar de Células não Pequenas/terapia , Intervalo Livre de Doença , Estônia , Feminino , Fluordesoxiglucose F18 , Humanos , Processamento de Imagem Assistida por Computador , Índia , Jordânia , Estimativa de Kaplan-Meier , Neoplasias Pulmonares/terapia , Masculino , Pessoa de Meia-Idade , Paquistão , Estudos Prospectivos , Controle de Qualidade , Planejamento da Radioterapia Assistida por Computador , Estudos Retrospectivos , Resultado do Tratamento , Turquia , Vietnã
15.
Spectrochim Acta A Mol Biomol Spectrosc ; 214: 294-301, 2019 May 05.
Artigo em Inglês | MEDLINE | ID: mdl-30802790

RESUMO

The study of [bis(L­alaninato) diaqua] nickel(II) dihydrate crystal using Raman scattering and X-ray diffraction as a function of temperature is reported in this paper. Thermal analysis (TGA and DSC) complementary measurements were also performed in order to obtain information on structural changes and mass loss occurred in this material. It was identified that the crystal undergoes loss of water at two different temperatures: ~340 and 393 K. X-ray diffraction measurements showed two phase transformations related to these two water loss events. After heating up to 423 K, the sample was cooled down to 298 K and its diffraction pattern presented the same pattern at 423 K, evidencing an irreversible phase transformation. The diffraction results also showed that crystal goes to monohydrate and anhydrous phases. Furthermore, cell lattice parameters and space groups of both phases were determined by applying Rietveld refinement through Le Bail method, demonstrating that their structures belong to the P21 and C2/c space groups, both with monoclinic symmetry. In addition, assignments of Raman spectra vibrational bands (at 300 K) are provided. The high-temperature Raman spectra were obtained in the 100-3500 cm-1 range, where it was observed several abrupt changes in the intensity of low-wavenumber bands and the appearance/disappearance of some vibrational modes that have coupling with OH⋯O hydrogen bonds. These spectral changes are in good agreement with X-ray diffraction and thermal analyses data. Finally, we obtained Raman measurements at low temperatures, from which we identified that the crystal structure is extremely stable throughout the temperature range of 293-10 K.

16.
Genet Mol Res ; 16(2)2017 Jun 29.
Artigo em Inglês | MEDLINE | ID: mdl-28671255

RESUMO

In several crops, the water deficit is perhaps the main limiting factor in the search for high yields. The objective of this study was to evaluate the phenotypic stability of maize hybrids in environments with and without water restriction using the analytical factor (AF) approach. We evaluated 171 maize hybrids in 14 environments, divided into environments with (A1, A2, A3, A4, A5, A6, and A7) and without (A8, A9, A10, A11, A12, A13, and A14) water restriction, over a period of 7 years. Each year, 36 hybrids were evaluated. A square lattice design (6 x 6) was used, with common treatments between years. The characteristics of grain yield (GY), male flowering (MF) and female flowering (FF), plant height (PH), and ear height (EH) were evaluated. Phenotypic adaptability and stability of the hybrids were also verified. Hybrids G66, G99, G86, and G26 were the most stable and showed potential for use in environments with and without water restriction. The AF models showed to be useful for evaluating hybrids over many years, allowing selection of better hybrids with adaptability, specific and general stability, and correlation of hybrids with their production components, in addition to allowing identification of mega-environments that permit stability in the response of the adapted hybrids.


Assuntos
Instabilidade Genômica , Hibridização Genética , Melhoramento Vegetal/métodos , Estresse Fisiológico , Zea mays/genética , Secas , Meio Ambiente , Modelos Genéticos , Característica Quantitativa Herdável , Zea mays/crescimento & desenvolvimento
17.
Spectrochim Acta A Mol Biomol Spectrosc ; 183: 209-217, 2017 Aug 05.
Artigo em Inglês | MEDLINE | ID: mdl-28454073

RESUMO

The polar organic 2-(α-methylbenzylamino)-5-nitropyridine crystal (MBANP) has been studied by Raman spectroscopy at low temperatures (from 300 to 10K). The effect of temperature change on the vibrational spectrum is discussed with the aid of DFT calculations. The behavior of the Raman spectra indicates that MBANP molecules present a different conformation at low temperatures associated with the rotation of the phenyl and pyridine rings. Temperature-dependent X-ray measurements and differential scanning calorimetry (DSC) analysis were utilized as complementary techniques to investigate the structural stability of MBANP crystal.

18.
Spectrochim Acta A Mol Biomol Spectrosc ; 161: 109-14, 2016 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-26967511

RESUMO

Single crystal of monoglycine nitrate has been studied by Raman spectroscopy under high pressures up to 5.5 GPa. The results show changes in lattice modes in the pressure ranges of 1.1-1.6 GPa and 4.0-4.6 GPa. The first change occurs with appearance of bands related to the lattice modes as well as discontinuity in the slope of dΩ/dP of these modes. Moreover, bands associated with the skeleton of glycine suggest that the molecule undergoes conformational modifications. The appearance of a strong band at 55 cm(-1) point to a second phase transition associated with the lattice modes, while the internal modes remain unchanged. These anomalies are probably due to rearrangement of hydrogen bonds. Additionally, decompression to ambient pressure shows that the phase transitions are reversible. Finally, the results show that the nitrate anions play an important role on the stability of the monoglycine nitrate crystal.

19.
J Appl Microbiol ; 120(2): 266-79, 2016 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-26496890

RESUMO

AIMS: This study aimed to evaluate the effects of inoculation of strains of lactic acid bacteria (LAB) isolated from sugarcane grown in a Brazil on the quality of corn silage. METHODS AND RESULTS: Three strains of Lactobacillus buchneri (UFLA SLM11, UFLA SLM103 and UFLA SLM108), five strains of Lactobacillus plantarum (UFLA SLM08, UFLA SLM41, UFLA SLM45, UFLA SLM46 and UFLA SLM105), and one strain of Leuconostoc mesenteroides (UFLA SLM06) were evaluated at 0, 10, 30, 60 and 90 day after inoculating corn forage. The inoculation of the LAB strains did not influence the chemical composition of the silage, but pH, acetic acid and 1,2-propanediol were affected by treatment. The silages inoculated with UFLA SLM11 and SLM108 contained the lowest yeast and filamentous fungi counts during fermentation. Bacteria belonging to the Enterobacteriaceae family, Clostridium genus were detected in the silages inoculated with Lact. buchneri UFLA SLM 11, 103 and 108, as shown by DGGE analysis. Silages inoculated with Lact. buchneri UFLA SLM 11 showed higher aerobic stability. CONCLUSIONS: The Lact. buchneri UFLA SLM11 strain was considered promising as a starter culture or inoculant for corn silages. SIGNIFICANCE AND IMPACT OF THE STUDY: The selection of microbial inoculants for each crop promotes improvement of silage quality. Studies on the chemical and microbiological characteristics of silage provide useful information for improving ensiling techniques.


Assuntos
Lactobacillaceae/metabolismo , Silagem/microbiologia , Zea mays/microbiologia , Aerobiose , Biodiversidade , Brasil , Fermentação , Ácido Láctico/análise , Ácido Láctico/metabolismo , Lactobacillaceae/classificação , Lactobacillaceae/genética , Lactobacillaceae/isolamento & purificação , Saccharum/microbiologia , Silagem/análise , Zea mays/química
20.
Eur Arch Otorhinolaryngol ; 272(4): 971-979, 2015 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-24695942

RESUMO

The objectives of the study were to evaluate the performance of sentinel lymph node biopsy (SLNB) in detecting occult metastases in papillary thyroid carcinoma (PTC) and to correlate their presence to tumor and patient characteristics. Twenty-three clinically node-negative PTC patients (21 females, mean age 48.4 years) were prospectively enrolled. Patients were submitted to sentinel lymph node (SLN) lymphoscintigraphy prior to total thyroidectomy. Ultrasound-guided peritumoral injections of (99m)Tc-phytate (7.4 MBq) were performed. Cervical single-photon emission computed tomography and computed tomography (SPECT/CT) images were acquired 15 min after radiotracer injection and 2 h prior to surgery. Intra-operatively, SLNs were located with a gamma probe and removed along with non-SLNs located in the same neck compartment. Papillary thyroid carcinoma, SLNs and non-SLNs were submitted to histopathology analysis. Sentinel lymph nodes were located in levels: II in 34.7 % of patients; III in 26 %; IV in 30.4 %; V in 4.3 %; VI in 82.6 % and VII in 4.3 %. Metastases in the SLN were noted in seven patients (30.4 %), in non-SLN in three patients (13.1 %), and in the lateral compartments in 20 % of patients. There were significant associations between lymph node (LN) metastases and the presence of angio-lymphatic invasion (p = 0.04), extra-thyroid extension (p = 0.03) and tumor size (p = 0.003). No correlations were noted among LN metastases and patient age, gender, stimulated thyroglobulin levels, positive surgical margins, aggressive histology and multifocal lesions. Sentinel lymph node biopsy can detect occult metastases in PTC. The risk of a metastatic SLN was associated with extra-thyroid extension, larger tumors and angio-lymphatic invasion. This may help guide future neck dissection, patient surveillance and radioiodine therapy doses.


Assuntos
Carcinoma/diagnóstico , Carcinoma/secundário , Linfonodos/patologia , Biópsia de Linfonodo Sentinela/métodos , Neoplasias da Glândula Tireoide/diagnóstico , Neoplasias da Glândula Tireoide/secundário , Carcinoma/cirurgia , Carcinoma Papilar , Feminino , Humanos , Linfonodos/cirurgia , Metástase Linfática , Linfocintigrafia , Masculino , Pessoa de Meia-Idade , Esvaziamento Cervical , Estadiamento de Neoplasias , Estudos Prospectivos , Câncer Papilífero da Tireoide , Neoplasias da Glândula Tireoide/cirurgia , Tireoidectomia , Tomografia Computadorizada de Emissão de Fóton Único , Tomografia Computadorizada por Raios X
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