High-temperature Raman spectra of dipeptide α-L-aspartyl-L-alanine crystal.

Crystals of dipeptide α-L-aspartyl-L-alanine (α-Asp-Ala), C7H12N2O5, were studied under high-temperature conditions through vibrational spectroscopy (IR and Raman) and thermal analysis (Differential Scanning Calorimetry - DSC). From the analysis of the results, it is possible to conclude that: (i) the studied material undergoes a reversible order-disorder phase transition at 373 K on heating, where several changes were observed in the vibrational spectra, especially with vibrational modes of the units that participate directly of the hydrogen bonds; (ii) the phase transition undergone by the α-Asp-Ala crystal (about 373 K) involves changes in hydrogen bonds, possibly the rupture of at least one of them, and change in the conformation of the molecules in the unit cell.

High rate of muscle injury despite no changes in physical, physiological and psychophysiological parameters in a professional football team during a long-congested fixture period.

This study aimed to analyse match availability, participation, and muscle injury incidence and to compare the effect of time intervals between matches (3-4 versus 6-7 days) on physical, physiological, and psychophysiological parameters in a professional football team during a prolonged congested fixture period. Thirteen professional male football players (29.2 ± 4.8 years old; 78.5 ± 8.3 kg; 179.3 ± 8.8 cm;) participated. Data were collected during 17 consecutive weeks for 35 official matches separated by an average interval of ≤ 3.5 days. Results showed a player availability of 84.8 ± 16.1% while match participation was 68.8% ± 6.4%. Muscle injury incidence was 19.0/ 1,000 hours of match exposure. These injuries occurred after individual players participated in sequences of 8.3 ± 3.3 consecutive matches with intervals of 3.8 ± 0.8 days. No differences were observed in physical performance or in fatigue-related parameters irrespective of the time interval between matches. A high player availability rate was observed. No differences were observed in physical, physiological, and psychophysiological indices of performance when comparing shorter and longer time intervals between consecutive matches.Prolonged exposure to fixture congestion resulted in an high risk of incurring muscle injury.

Are there differences in the attention of elite football players concerning playing positions?

PURPOSE: This study aimed to compare the attention performance, by playing position, in elite Brazilian football players. METHODS: A total of 66 professional players competing in the first division of the Brazilian Championship were evaluated. They were grouped according to their playing positions into 7 goalkeepers, 8 defenders, 15 fullbacks, 8 defensive midfielders, 13 attacking midfielders, and 15 forwards. The attention was evaluated using the QuotientTM ADHD System equipment. The group performances were compared using the Kruskal-Wallis Test and the post-hoc analysis using the Mann-Whitney Test. RESULTS: Fullbacks showed less attentive behavior than defenders (U = 9.000, p = 0.001), defensive midfielders (U = 12.500, p = 0.002), offensive midfielders (U = 48.000, p = 0.007) and forwards (U = 27.000, p = 0.001). Fullbacks also had impulsive behavior longer than defenders (U = 10.500, p = 0.001) and defensive midfielders (U = 12.000, p = 0.002), as well as offensive midfielders had impulsive behavior longer than defenders (U = 16.0000, p = 0.004) and defensive midfielders (U = 19.500, p = 0.009). CONCLUSION: Players of defensive positions, as defenders and defensive midfielders, were more attentive and less impulsive than players of hybrid positions, responsible for both defensive and offensive actions, such as fullbacks and attacking midfielders. The present finding indicates that the defenders were the players who maintained the attention level for more time, while the fullbacks maintained for less time. Players in offensive playing positions (fullbacks and attacking midfielders) maintained their impulsive behavior for longer when compared to defensive positions (defenders and defensive midfielders).

Effect of Fe (III) on L-asparagine monohydrate investigated under low- and high-temperature conditions.

Raman spectra of Fe-doped L-asparagine monohydrate (LAM:Fe) crystal were studied under several temperatures varying from 17 to 490 K. The effect of Fe (III) ion on the stability of the crystal in changing temperature through the vibrational spectra was discussed. The behavior of inter and intra-molecular vibration modes has indicated two phase transitions and an amorphous transformation. These effects were also clarified by X-ray powder diffraction measurements which corroborate very well the Raman data. In addition, we have determinated the lattice parameters of all phases and verified that under low temperature conditions the crystal undergoes a conformational transition whereas under high temperatures its structure transforms from the orthorhombic (P212121-space group) to the monoclinic (P21-space group) symmetry and, after this process, it goes to an amorphous phase due to the start of the decomposition. Finally, differential scanning calorimetry analysis was utilized as complementary technique to investigate the structural stability of LAM:Fe and results are in a good agreement with the Raman and the X-ray diffraction data.

High-pressure studies on l,l-dileucine crystals by Raman spectroscopy and synchrotron X-ray diffraction combined with DFT calculations.

The vibrational properties of the dipeptide l-leucyl-l-leucine hydrate were investigated through Raman and infrared spectroscopy. With the aid of first principle calculations using the density functional theory, the assignment of the vibrational modes from the material was furnished. In addition, the behavior of the crystal under high pressure was investigated using Raman spectroscopy (~8 GPa) and synchrotron X-ray diffraction (~26 GPa). The results show significant changes in both the X-ray diffractogram and the Raman spectra, suggesting that l-leucyl-l-leucine hydrate undergoes a phase transition between 2.3 and 2.9 GPa. Finally, for pressures above 16 GPa the broadening of X-ray peaks suggests a disorder in the crystal lattice induced by high-pressure effects.

Phase transformation in the C form of myristic-acid crystals and DFT calculations.

In this study, the vibrational frequencies of myristic acid (CH3(CH2)12COOH) were obtained using density functional theory calculations, and the results were compared with experimental Raman and infrared data. Additionally, Raman spectra of crystalline myristic acid were recorded in the 300-20 K range. Raman spectroscopy gives important insights into the effect of low temperatures on its monoclinic phase. X-ray diffraction was performed from 298 to 133 K to provide additional information about the cryogenic behavior of the crystals. These undergo a phase transformation, which was confirmed by differential scanning calorimetry through an enthalpy anomaly observed at low temperatures. Raman spectra and X-ray diffraction refinement of the cell parameters in combination with differential scanning calorimetry at low temperatures revealed slight modifications, confirming a conformational change in the myristic acid molecules involving rearrangement of dimers within the unit cell.

Temperature-induced isostructural phase transition on NaCe(MoO4)2 system: A Raman scattering study.

Temperature-dependent Raman spectroscopic study has been performed on scheelite-type sodium­cerium molybdate - NaCe(MoO4)2 - in the temperature range 113-873 K. This study provides phonon properties of NaCe(MoO4)2, which are very important to understand the mechanism governing eventual phase transitions undergone by the structure, since phonons are very sensitive to structural changes. The ambient scheelite phase remains stable in a low-temperature range (113-293 K), and no relevant modification is observed in the Raman spectra. However, the experiments reveal the existence of one reversible phase transition at high-temperature. The vibrational spectra of NaCe(MoO4)2 system showed anomalies above 748 K, where overlaps of some bands and the appearance of a band at 458 cm-1 are observed. These modifications were attributed to an isostructural phase transition and a discussion about the possible mechanism of this transformation is furnished.

Low-temperature Raman spectra of the 2-(α-methylbenzylamino)-5-nitropyridine crystal.

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.

Biaxial Strain Transfer in Supported Graphene.

Understanding the mechanism and limits of strain transfer between supported 2D systems and their substrate is a most needed step toward the development of strain engineering at the nanoscale. This includes applications in straintronics, nanoelectromechanical devices, or new nanocomposites. Here, we have studied the limits of biaxial compressive strain transfer among SiO2, diamond, and sapphire substrates and graphene. Using high pressure-which allows maximizing the adhesion between graphene and the substrate on which it is deposited-we show that the relevant parameter governing the graphene mechanical response is not the applied pressure but rather the strain that is transmitted from the substrate. Under these experimental conditions, we also show the existence of a critical biaxial stress beyond which strain transfer become partial and introduce a parameter, α, to characterize strain transfer efficiency. The critical stress and α appear to be dependent on the nature of the substrate. Under ideal biaxial strain transfer conditions, the phonon Raman G-band dependence with strain appears to be linear with a slope of -60 ± 3 cm-1/% down to biaxial strains of -0.9%. This evolution appears to be general for both biaxial compression and tension for different experimental setups, at least in the biaxial strain range -0.9% < ε < 1.8%, thus providing a criterion to validate total biaxial strain transfer hypotheses. These results invite us to cast a new look at mechanical strain experiments on deposited graphene as well as to other 2D layered materials.

The temperature-dependent single-crystal Raman spectroscopy of a model dipeptide: L-Alanyl-L-alanine.

A single-crystal of peptide L-alanyl-L-alanine (C6H12N2O3) was studied by Raman spectroscopy at low-temperature, and a tentative assignment of the normal modes was given. Evidence of a second order structural phase transition was found through Raman spectroscopy between the temperatures of 80K and 60K. Group theory considerations suggest that the transition leads the sample from the tetragonal to a monoclinic structure. Additionally, our study suggests that the mechanism for the structural phase transition is governed by the occupation of non-equivalent C1 local symmetry sites by the CH3 molecular groups. Analysis based on group theory suggests L-alanyl-L-alanine presents C2 symmetry at low temperatures.

Low-temperature phase transformation studies in the stearic acid: C form.

This paper reports the temperature-dependent measurements in the C form of stearic acid. Raman scattering, X-ray diffraction, and differential scanning calorimetry measurements were performed at low temperatures. The polarized Raman spectra were measured for temperatures ranging from 8 to 300 K over the spectral range of 30-3000 cm(-1). The spectral changes observed in both the lattice vibrational modes and the internal vibrational modes regions of the Raman spectrum, allowed to identify a phase transition undergone by the stearic acid crystal occurring between 210 and 170 K and a change in the structure continues to be observed down to 8 K. The anharmonicity of some vibrational modes and the possible space groups presented by the crystal at low temperatures were also discussed. Low-temperature X-ray diffraction measurements were performed from 290 to 80 K and the results showed slight changes in the lattice parameters at ∼200 K. Furthermore, the evidence of the phase transformation was provided by the differential scanning calorimetry measurements, which identified an enthalpic anomaly at about 160 K.

Morfologia, topografia e irrigação do coração do Tamandua tetradactyla / Morphology, topography and irrigation of the heart of Tamandua tetradactyla

O Tamandua tetradactyla é uma espécie da ordem Xenarthra que apresenta coloração amarelada na cabeça, nos membros e na parte anterior do dorso, sendo o restante do corpo negro, formando uma espécie de colete, por isso também é chamado de "tamanduá-de-colete". Objetivou-se descrever a morfologia, a topografia e a irrigação cardíaca do Tamandua tetradactyla. Foram utilizados quatro espécimes jovens, provenientes da área de Mina Bauxita - Paragominas, Pará, que foram doados à Universidade Federal Rural da Amazônia - UFRA, após morte por atropelamento. O sistema arterial foi preenchido com látex contrastado, e os animais foram fixados em uma solução de formaldeído a 10%. A cavidade torácica foi acessada e permitiu a análise topográfica do coração, com posterior mensuração, descrição morfológica e vascular. O coração estava localizado entre o terceiro e o quinto espaço intercostal, apresentando duas artérias coronárias, direita e esquerda, que se originaram do seio aórtico. O tipo de irrigação para esta espécie variou entre a do tipo equilibrada e a direita. Nos sulcos coronários, localizavam-se os ramos circunflexos das artérias coronárias, originando os ramos interventriculares paraconal e subsinuoso. Além das quatro câmaras cardíacas, observaram-se também as valvas tricúspide e bicúspide, cordas tendíneas, trabéculas carnosas e trabéculas septo marginal, músculos papilares nas câmaras ventriculares e músculos pectiniformes nas câmaras atriais...

The Tamandua tetradactyla and a specie of the Xenarthra order that presents yellowish color in the head, limbs and anterior part of the dorsum and the rest of the black body, forming a sort of vest, so it is also called "collared anteater". This study aimed to describe the morphology, topography and cardiac irrigation of the Tamandua tetradactyla. Four young specimens were used, from the bauxite mine area - Paragominas, Pará, which were donated to the Federal Rural University of Amazon - UFRA, after death due to running over. The arterial system was filled with contrasted latex and the animals were fixed in a 10% formaldehyde solution. The thoracic cavity was accessed by allowing the topographic analysis of the heart, with subsequent measurement, morphological and vascular description. The heart was located between the 3rd and 5th intercostal space, showing two coronary arteries, dextra and sinistra, that originated from the Sinus aortae. The type of irrigation for this species varied between the balanced and the right. In the coronary sulcus there were branches of circumflex coronary arteries, originating the Ramus interventricularis subsinuosus and Ramus interventricularis paraconalis. In addition to the four cardiac chambers we observed the tricuspid and bicuspid valves, chordae tendineae, trabeculaes carneae and trabeculaes septomarginales, the Musculus papillaris in ventricular chambers and Musculus pectiniform in atrial chambers...

Acute leukemias in Piauí: comparison with features observed in other regions of Brazil.

Differences in age and sex distribution as well as FAB (French-American-British classification) types have been reported for acute leukemias in several countries. We studied the demographics and response to treatment of patients with acute myeloid leukemia (AML) and acute lymphoblastic leukemia (ALL) between 1989 and 2000 in Teresina, Piau , and compared these results with reports from Brazil and other countries. Complete data concerning 345 patients (230 ALL, 115 AML) were reviewed. AML occurred predominantly in adults (77%), with a median age of 34 years, similar to that found in the southeast of Brazil but lower than the median age in the United States and Europe (52 years). FAB distribution was similar in children and adults and FAB-M2 was the most common type, as also found in Japan. The high frequency of FAB-M3 described in most Brazilian studies and for Hispanics in the United States was not observed. Overall survival for adults was 40%, similar to other studies in Brazil. A high mortality rate was observed during induction. No clinical or hematological parameter influenced survival in the Cox model. ALL presented the characteristic peak of incidence between 2-8 years. Most of the cases were CD10+ pre-B ALL. In 25%, abnormal expression of myeloid antigens was observed. Only 10% of the patients were older than 30 years. Overall survival was better for children. Age and leukocyte count were independent prognostic factors. These data demonstrate that, although there are regional peculiarities, the application of standardized treatments and good supportive care make it possible to achieve results observed in other countries for the same chemotherapy protocols.

Acute leukemias in Piauí: comparison with features observed in other regions of Brazil

Differences in age and sex distribution as well as FAB (French-American-British classification) types have been reported for acute leukemias in several countries. We studied the demographics and response to treatment of patients with acute myeloid leukemia (AML) and acute lymphoblastic leukemia (ALL) between 1989 and 2000 in Teresina, Piauí, and compared these results with reports from Brazil and other countries. Complete data concerning 345 patients (230 ALL, 115 AML) were reviewed. AML occurred predominantly in adults (77 percent), with a median age of 34 years, similar to that found in the southeast of Brazil but lower than the median age in the United States and Europe (52 years). FAB distribution was similar in children and adults and FAB-M2 was the most common type, as also found in Japan. The high frequency of FAB-M3 described in most Brazilian studies and for Hispanics in the United States was not observed. Overall survival for adults was 40 percent, similar to other studies in Brazil. A high mortality rate was observed during induction. No clinical or hematological parameter influenced survival in the Cox model. ALL presented the characteristic peak of incidence between 2-8 years. Most of the cases were CD10+ pre-B ALL. In 25 percent, abnormal expression of myeloid antigens was observed. Only 10 percent of the patients were older than 30 years. Overall survival was better for children. Age and leukocyte count were independent prognostic factors. These data demonstrate that, although there are regional peculiarities, the application of standardized treatments and good supportive care make it possible to achieve results observed in other countries for the same chemotherapy protocols

Fungal infections in marrow transplant recipients under antifungal prophylaxis with fluconazole.

Fungal infection is one of the most important causes of morbidity and mortality in bone marrow transplant (BMT) recipients. The growing incidence of these infections is related to several factors including prolonged granulocytopenia, use of broad-spectrum antibiotics, conditioning regimens, and use of immunosuppression to avoid graft-versus-host disease (GvHD). In the present series, we report five cases of invasive mold infections documented among 64 BMT recipients undergoing fluconazole antifungal prophylaxis: 1) A strain of Scedosporium prolificans was isolated from a skin lesion that developed on day +72 after BMT in a chronic myeloid leukemic patient. 2) Invasive pulmonary aspergillosis (Aspergillus fumigatus) was diagnosed on day +29 in a patient with a long period of hospitalization before being transplanted for severe aplastic anemia. 3) A tumoral lung lesion due to Rhizopus arrhizus (zygomycosis) was observed in a transplanted patient who presented severe chronic GvHD. 4) A tumoral lesion due to Aspergillus spp involving the 7th, 8th and 9th right ribs and local soft tissue was diagnosed in a BMT patient on day +110. 5) A patient with a history of Ph1-positive acute lymphocytic leukemia exhibited a cerebral lesion on day +477 after receiving a BMT during an episode of severe chronic GvHD. At that time, blood and spinal fluid cultures yielded Fusarium sp. Opportunistic infections due to fungi other than Candida spp are becoming a major problem among BMT patients receiving systemic antifungal prophylaxis with fluconazole.

Fungal infections in marrow transplant recipients under antifungal prophylaxis with fluconazole

Fungal infection is one of the most important causes of morbidity and mortality in bone marrow transplant (BMT) recipients. The growing incidence of these infections is related to several factors including prolonged granulocytopenia, use of broad-spectrum antibiotics, conditioning regimens, and use of immunosuppression to avoid graft-versus-host disease (GvHD). In the present series, we report five cases of invasive mold infections documented among 64 BMT recipients undergoing fluconazole antifungal prophylaxis: 1) A strain of Scedosporium prolificans was isolated from a skin lesion that developed on day +72 after BMT in a chronic myeloid leukemic patient. 2) Invasive pulmonary aspergillosis (Aspergillus fumigatus) was diagnosed on day +29 in a patient with a long period of hospitalization before being transplanted for severe aplastic anemia. 3) A tumoral lung lesion due to Rhizopus arrhizus (zygomycosis) was observed in a transplanted patient who presented severe chronic GvHD. 4) A tumoral lesion due to Aspergillus spp involving the 7th, 8th and 9th right ribs and local soft tissue was diagnosed in a BMT patient on day +110. 5) A patient with a history of Ph1-positive acute lymphocytic leukemia exhibited a cerebral lesion on day +477 after receiving a BMT during an episode of severe chronic GvHD. At that time, blood and spinal fluid cultures yielded Fusarium sp. Opportunistic infections due to fungi other than Candida spp are becoming a major problem among BMT patients receiving systemic antifungal prophylaxis with fluconazole

Pseudomonas aeruginosa: study of antibiotic resistance and molecular typing in hospital infection cases in a neonatal intensive care unit from Rio de Janeiro City, Brazil.

This study had the objective of to analyze the demographic and bacteriologic data of 32 hospitalized newborns in an neonatal intensive care unit of a public maternity hospital in Rio de Janeiro city, Brazil, seized by Pseudomonas aeruginosa sepsis during a period ranged from July 1997 to July 1999, and to determine the antimicrobial resistance percentage, serotypes and pulsed field gel electrophoresis (PFGE) patterns of 32 strains isolated during this period. The study group presented mean age of 12.5 days, with higher prevalence of hospital infection in males (59.4%) and vaginal delivery (81.2%), than females (40.6%) and cesarean delivery (18.8%), respectively. In this group, 20 (62.5%) patients received antimicrobials before positive blood cultures presentation. A total of 87.5% of the patients were premature, 62.5% presented very low birth weight and 40.6% had asphyxia. We detected high antimicrobial resistance percentage to b-lactams, chloramphenicol, trimethoprim/sulfamethoxazole and tetracycline among the isolated strains. All isolated strains were classified as multi-drug resistant. Most strains presented serotype O11 while PFGE analysis revealed seven distinct clones with isolation predominance of a single clone (75%) isolated from July 1997 to June 1998.

Molecular epidemiology of methicillin resistant Staphylococcus aureus isolated from newborns in a hospital in Rio de Janeiro, Brazil

Methicillin resistant Staphylococcus aureus (MRSA) is an organism that is frequently transmitted in hospitals and perinatal units. The MRSA is considered a public health problem in neonatology because of its strong potential for dissemination in the wards associated with high rates of morbidity and mortality. In this study we describe the bacteriological, epidemiological and molecular characteristics of MRSA isolated from anterior nares and blood cultures of newborns hospitalized in a public maternity hospital in the city of Rio de Janeiro, Brazil. The frequency of MRSA isolated from nasal swabs of newborns was 47.8 percent (43/90). The genetic analysis of MRSA strains from anterior nares, showed 8 different pulsed field gel electrophoresis patterns (PFGE). Upon analysis of PFGE patterns of the 12 MRSA strains isolated from blood cultures, 8 different patterns were observed, 9 (75 percent) strains were genetic related to nasal secretion isolates patterns. In conclusion, our data demonstrate the importance of screening of newborns for the presence of MRSA in Brazilian hospitals and the usefulness of genetic typing of these pathogen during epidemiologic studies. This should lead to a better knowledge on the significancy and spreading of MRSA in the hospitals

Molecular epidemiology of methicillin resistant Staphylococcus aureus isolated from newborns in a hospital in Rio de Janeiro, Brazil.

Methicillin resistant Staphylococcus aureus (MRSA) is an organism that is frequently transmitted in hospitals and perinatal units. The MRSA is considered a public health problem in neonatology because of its strong potential for dissemination in the wards associated with high rates of morbidity and mortality. In this study we describe the bacteriological, epidemiological and molecular characteristics of MRSA isolated from anterior nares and blood cultures of newborns hospitalized in a public maternity hospital in the city of Rio de Janeiro, Brazil. The frequency of MRSA isolated from nasal swabs of newborns was 47.8% (43/90). The genetic analysis of MRSA strains from anterior nares, showed 8 different pulsed field gel electrophoresis patterns (PFGE). Upon analysis of PFGE patterns of the 12 MRSA strains isolated from blood cultures, 8 different patterns were observed, 9 (75%) strains were genetic related to nasal secretion isolates patterns. In conclusion, our data demonstrate the importance of screening of newborns for the presence of MRSA in Brazilian hospitals and the usefulness of genetic typing of these pathogen during epidemiologic studies. This should lead to a better knowledge on the significancy and spreading of MRSA in the hospitals.