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1.
Phys Rev Lett ; 130(4): 046704, 2023 Jan 27.
Artigo em Inglês | MEDLINE | ID: mdl-36763433

RESUMO

Tuning of the anisotropic Gilbert damping Δα has been realized in ultrathin single-crystalline Fe films grown on GaAs (001). A nonmonotonic dependence of Δα on film thickness t is observed upon varying t about 10 ML (∼1.4 nm). Δα increases for 16 ML>t>8.5 ML, and then decreases for 8.5 ML>t>6.5 ML accompanied by a sign reversal of Δα for t=6.5 ML. The sign reversal of Δα is captured by first-principle calculations, which show that the anisotropic density of states changes sign upon decreasing t. Moreover, t^{-1} dependence of the anisotropic damping indicates the emergence of an anisotropic effective spin mixing conductance according to the theory of spin pumping. The results establish new opportunities for controlling the Gilbert damping and for fundamental studies of magnetization dynamics in reduced dimension.

2.
Obes Surg ; 30(2): 391-400, 2020 02.
Artigo em Inglês | MEDLINE | ID: mdl-31728904

RESUMO

BACKGROUND: Obesity is closely linked to increased markers of metabolic syndrome and development of diabetes. Roux-en-Y bariatric surgery reduces hyperinsulinemia and improves insulin sensitivity and hence benefits morbidly obese patients. AIM: To determine changes in markers of metabolic syndrome, pancreatic function, and hepatic insulin sensitivity in patients before and 1 year after undergoing Roux-en-Y gastric bypass surgery. METHODS: We enrolled 43 consecutive patients in a single center. Markers for metabolic syndrome included proinsulin, insulin, C-peptide, liver enzymes, and serum levels of selected microRNAs hsa-miR-122, hsa-miR-130, hsa-miR-132, and hsa-miR-375. RESULTS: After surgery, all patients showed a significant 37% drop of body mass index (p < 0.001). Furthermore, proinsulin (59% reduction, p < 0.001), insulin (76% reduction, p < 0.001), and C-peptide (56% reduction, p < 0.001) were all reduced 1 year after surgery. Using the hepatic insulin clearance score, we determined a significant increase in hepatic insulin clearance after surgery (76% increase, p < 0.001). Especially diabetic patients showed a marked 2.1-fold increase after surgery. Hepatic enzymes ALT (35% reduction, p = 0.002) and γGT (48% reduction, p < 0.001) were significantly reduced in all patients with similar improvement in diabetic and non-diabetic patients. miRNAs hsa-miR-122, hsa-miR-130, and hsa-miR-132 were all significantly reduced whereas hsa-miR-375 was increased after gastric bypass surgery (p < 0.001 for all miRNAs). CONCLUSION: Both liver and pancreatic stress parameters were reduced significantly 1 year after Roux-en-Y gastric bypass surgery suggesting an overall amelioration of the metabolic syndrome in all patients regardless of previous health status.


Assuntos
Biomarcadores/sangue , Derivação Gástrica , Síndrome Metabólica/prevenção & controle , Obesidade Mórbida/diagnóstico , Obesidade Mórbida/cirurgia , Adulto , Idoso , Anastomose em-Y de Roux , Biomarcadores/metabolismo , Índice de Massa Corporal , Feminino , Derivação Gástrica/métodos , Humanos , Insulina/sangue , Resistência à Insulina , Masculino , Síndrome Metabólica/sangue , Síndrome Metabólica/etiologia , MicroRNAs/sangue , Pessoa de Meia-Idade , Obesidade Mórbida/sangue , Prognóstico , Fatores de Risco , Redução de Peso/fisiologia , Adulto Jovem
3.
AJNR Am J Neuroradiol ; 39(7): 1322-1329, 2018 07.
Artigo em Inglês | MEDLINE | ID: mdl-29794233

RESUMO

BACKGROUND AND PURPOSE: The incidence of metallic dental restorations and implants is increasing, and head and neck MR imaging is becoming challenging regarding artifacts. Our aim was to evaluate whether multiple-slab acquisition with view angle tilting gradient based on a sampling perfection with application-optimized contrasts by using different flip angle evolution (MSVAT-SPACE)-STIR and slice-encoding for metal artifact correction (SEMAC)-STIR are beneficial regarding artifact suppression compared with the SPACE-STIR and TSE-STIR in vitro and in vivo. MATERIALS AND METHODS: At 3T, 3D artifacts of 2 dental implants, supporting different single crowns, were evaluated. Image quality was evaluated quantitatively (normalized signal-to-noise ratio) and qualitatively (2 reads by 2 blinded radiologists). Feasibility was tested in vivo in 5 volunteers and 5 patients, respectively. RESULTS: Maximum achievable resolution and the normalized signal-to-noise ratio of MSVAT-SPACE-STIR were higher compared with SEMAC-STIR. Performance in terms of artifact correction was dependent on the material composition. For highly paramagnetic materials, SEMAC-STIR was superior to MSVAT-SPACE-STIR (27.8% smaller artifact volume) and TSE-STIR (93.2% less slice distortion). However, MSVAT-SPACE-STIR reduced the artifact size compared with SPACE-STIR by 71.5%. For low-paramagnetic materials, MSVAT-SPACE-STIR performed as well as SEMAC-STIR. Furthermore, MSVAT-SPACE-STIR decreased artifact volume by 69.5% compared with SPACE-STIR. The image quality of all sequences did not differ systematically. In vivo results were comparable with in vitro results. CONCLUSIONS: Regarding susceptibility artifacts and acquisition time, MSVAT-SPACE-STIR might be advantageous over SPACE-STIR for high-resolution and isotropic head and neck imaging. Only for materials with high-susceptibility differences to soft tissue, the use of SEMAC-STIR might be beneficial. Within limited acquisition times, SEMAC-STIR cannot exploit its full advantage over TSE-STIR regarding artifact suppression.


Assuntos
Artefatos , Implantes Dentários/efeitos adversos , Interpretação de Imagem Assistida por Computador/métodos , Imageamento por Ressonância Magnética/métodos , Adulto , Feminino , Humanos , Aumento da Imagem/métodos , Masculino , Metais , Pessoa de Meia-Idade
4.
Obes Surg ; 28(9): 2804-2810, 2018 09.
Artigo em Inglês | MEDLINE | ID: mdl-29693219

RESUMO

BACKGROUND: Obesity is considered to be a major comorbidity. Obese patients suffer from an increased proinflammatory state associated with a premature aging phenotype including increased secretion of senescence-associated secretory proteins (SASP) and reduced telomere length. Micro-ribonucleic acids (miRNAs) are non-coding RNA molecules that could modify the post-transcriptional process. Several studies have reported associations between miRNAs and metabolic unhealthy conditions. AIM: To determine if bariatric surgery and the resulting weight loss could reverse the premature aging phenotype. METHODS: We enrolled 58 morbidly obese patients undergoing bariatric surgery. Markers of premature aging including the SASP IL-6, CRP and PAI-1, 7 miRNAs, as well as telomere length and telomere oxidation in mononuclear cells were evaluated. RESULTS: Patients showed a significant drop of body mass index (BMI; 43.98 ± 3.5 versus 28.02 ± 4.1, p < 0.001). We observed a significant reduction in SASP including a reduction of 55% of plasma IL-6 levels (p = 0 < 0.001), 83% of CRP levels (p = 0.001) and 15% of plasma PAI-1 levels (p < 0.001). Telomere length doubled in the patient cohort (p < 0.001) and was accompanied by a reduction in the telomere oxidation index by 70% (p < 0.001). Telomere length was inversely correlated with telomere oxidation. The aging-associated miRNA miR10a_5p was upregulated significantly (p = 0.039), while the other tested miRNAs showed no difference. CONCLUSION: Our data indicate a significant reduction of the proinflammatory SASP after bariatric surgery. We observed an increase in telomere length and reduced oxidative stress at telomeres. miR10a_5p which is downregulated during aging was upregulated after surgery. Overall, bariatric surgery ameliorated the premature aging phenotype.


Assuntos
Senilidade Prematura , Derivação Gástrica/estatística & dados numéricos , Obesidade Mórbida , Senilidade Prematura/sangue , Senilidade Prematura/complicações , Senilidade Prematura/epidemiologia , Senilidade Prematura/genética , Biomarcadores , Índice de Massa Corporal , Humanos , Obesidade Mórbida/complicações , Obesidade Mórbida/epidemiologia , Obesidade Mórbida/cirurgia
5.
Clin Neuroradiol ; 27(3): 371-378, 2017 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-26869445

RESUMO

PURPOSE: Purpose of our research was the evaluation of a dedicated dental surface coil in comparison with a standard head and neck coil for the improvement of dental magnetic resonance imaging (MRI). MATERIALS AND METHODS: Axial T1-weighted spin echo MRI was performed by using a newly developed dental coil for MRI and a standard head and neck coil on five volunteers. In addition, MRI was implemented with dental coil on five patients. Using the Wilcoxon test, we compared the volunteers' signal-to-noise ratio (SNR) of a variety of anatomical structures (e.g., hard tooth tissue, pulp tissue, bone, muscle tissue). Also subjective evaluation of image quality was performed on both volunteers and patients. RESULTS: Compared with the head and neck coil, the mean SNR was 3.5-fold higher on an average with the dental coil (range: from 2.7 [masseter muscle] to 4.6 [pulp tissue]). That difference was statistically significant for all evaluated structures. The higher SNR also resulted in a superior image quality as determined by subjective evaluation. CONCLUSION: Dental MRI benefits profoundly from using a dedicated dental coil.


Assuntos
Implantes Dentários , Imageamento por Ressonância Magnética/instrumentação , Adolescente , Adulto , Idoso , Polpa Dentária/diagnóstico por imagem , Feminino , Humanos , Masculino , Pessoa de Meia-Idade , Imagens de Fantasmas , Articulação Temporomandibular/diagnóstico por imagem , Adulto Jovem
6.
Mol Ecol Resour ; 12(1): 149-59, 2012 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-21951614

RESUMO

Carotenoid-based colour signals are widespread in the animal kingdom and common textbook examples of sexually selected traits. Carotenoid pigments must be obtained through the diet as all animals lack the enzymatic machinery necessary to synthesize them from scratch. Once ingested, carotenoids are metabolized, stored, transported and deposited, and some or all of these processes may be limiting for signal production and thus subjected to social or sexual selection on phenotypic coloration. Very little is known about which genes and physiological pathways are involved in carotenoid pigmentation which is unfortunate, as genetic information would allow us to investigate the biochemical consequences of sexual selection. In this study, we present a transcriptome-screening technique and apply it to a carotenoid-signalling bird species, the southern red bishop Euplectes orix, to uncover the gene(s) responsible for the conversion of dietary ß-carotene (orange) to canthaxanthin (bright red). The transcriptome, extracted from the liver of a male entering his breeding moult, is expressed within bacterial cells genetically modified to synthesize beta-carotene. Effects of expressed E. orix proteins on the structure or amount of ß-carotene are initially detected by eye (based on colour change) and subsequently confirmed by high-performance liquid chromatography. Here, we demonstrate the validity of the technique and provide a list of candidate genes involved in the carotenoid pigmentation pathway. We believe that this method could be applied to other species and tissues and that this may help researchers uncover the genetic basis of carotenoid coloration in vertebrates.


Assuntos
Proteínas Aviárias/genética , Carotenoides/metabolismo , Perfilação da Expressão Gênica/métodos , Passeriformes/genética , Transcriptoma , Animais , Proteínas Aviárias/metabolismo , Feminino , Masculino , Dados de Sequência Molecular , Passeriformes/metabolismo , Pigmentação
7.
Bone Marrow Transplant ; 47(2): 172-80, 2012 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-21460872

RESUMO

Between 1988 and 2007, international searches for matched unrelated donors (MUDs) were performed for 1586 Austrian patients. Between 2004 and 2007, a MUD was identified for 76.7% of the patients. Between 1996 and 2003, a donor was identified for 71.3% of the patients, and between 1988 and 1995, only for 53.4% of the patients. Search times of successful searches decreased from 7.7 months in the first period to 1.7 months in the period from 2004 to 2007. However, transplants were not performed in all cases in which a donor was found: only in 61.6% of the patients between 2004 and 2007, in 53.4% between 1996 and 2003 and in 29.6% between 1988 and 1995. Multivariate analysis determined that having a common HLA type was the most important variable impacting on finding a MUD for a patient. Factors that most strongly influence a patient's access to transplant were the patient's European origin and a short time between diagnosis and start of donor search. The strongest factor for both finding a donor and being transplanted was a search being performed during more recent years: patients' chances increased from year to year.


Assuntos
Transplante de Células-Tronco Hematopoéticas/métodos , Doadores Vivos/provisão & distribuição , Obtenção de Tecidos e Órgãos/métodos , Doadores não Relacionados/provisão & distribuição , Adulto , Áustria , Criança , Feminino , Antígenos HLA/genética , Antígenos HLA/imunologia , Humanos , Doadores Vivos/estatística & dados numéricos , Masculino , Pessoa de Meia-Idade , Fenótipo , Doadores não Relacionados/estatística & dados numéricos
8.
J Phys Condens Matter ; 22(7): 076003, 2010 Feb 24.
Artigo em Inglês | MEDLINE | ID: mdl-21386400

RESUMO

Polycrystalline Tb(2)Ru(2)O(7) has been studied using dc susceptibility, specific heat and neutron scattering techniques. The high temperature paramagnetic state is dominated by the single ion character of Tb(3 + ) and very similar to that of the well-studied spin liquid Tb(2)Ti(2)O(7). However, both the Ru(4 + ) and Tb(3 + ) sublattices order, at about 110 K and 3.5 K, respectively. Although the Tb sublattice does not fully order until 3.5 K, it is polarized in the presence of the internal field generated by the Ru(4 + ) sublattice and possesses a significant moment at 7 K. Magnetic entropy measurements suggest that four levels exist in the first 30 K and inelastic neutron scattering investigations revealed two more levels at 10 and 14 meV. As the magnetic sublattices order, the excitations are perturbed from that measured in the paramagnetic state. These data are compared to data for other terbium based and double pyrochlores.


Assuntos
Magnetismo , Rutênio/química , Térbio/química , Nêutrons , Nióbio
9.
J Evol Biol ; 22(10): 2068-76, 2009 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-19702843

RESUMO

Despite similar ecology, mating systems and female preferences for supernormal tails, the 17 species of African widowbirds and bishops (Euplectes spp.) show astonishing variation in male tail ornamentation. Whereas bishops retain their brown nonbreeding tails in nuptial plumage, widowbirds grow black nuptial tails, varying in length from a few centimetres in E. axillaris to the extreme half metre train of E. progne. Here, we phylogenetically reconstruct the evolution of the discrete trait, nuptial tail and the continuous trait, tail length, using a molecular phylogeny of 33 Euplectes subspecies. Unlike many recent findings of labile evolution of plumage ornaments, our results suggest that the nuptial tail of Euplectes is a derived and phylogenetically conserved ornamental trait that, once gained, shows directional evolution in its expression. Directionality is demonstrated in the trivial sense of a short-tailed ancestor, and by contingency and randomization tests suggesting that branches with increasing tail length are overrepresented. This supports an early origin and strong retention of directional female mate choice in widowbirds and bishops, as previously indicated by empirical and experimental results, and provides a less labile, yet rapid scenario of sexually selected diversification.


Assuntos
Plumas , Passeriformes/classificação , Filogenia , Seleção Genética , Animais , Feminino , Masculino , Passeriformes/genética , Fatores Sexuais , Cauda
10.
J Chem Phys ; 130(21): 214508, 2009 Jun 07.
Artigo em Inglês | MEDLINE | ID: mdl-19508077

RESUMO

Methyl group rotations in methyl fluoride were studied using the high flux backscattering spectrometer SPHERES at FRM-II. The asymmetry and width of the low temperature tunneling peak was used to determine if coupled rotations between neighboring methyl fluoride molecules exist. The temperature dependent broadening of the tunneling peak was used to determine the first librational transition and compared to the temperature dependent shift of the position of the tunneling peak. The results obtained by using inelastic neutron scattering confirm previous models that assume rotational coupling. This is the first neutron backscattering experiment with sub-microeV resolution at energy transfers up to 31 microeV.

11.
J Chem Phys ; 130(16): 164519, 2009 Apr 28.
Artigo em Inglês | MEDLINE | ID: mdl-19405606

RESUMO

Diaminodurene crystallizes in the orthorhombic space group Pbca, with eight molecules in the unit cell. Four inequivalent methyl groups with different environments exist in a molecule. The amino groups are also different, which is well reflected in infrared spectra. Two tunneling modes are resolved at 23.7 and 7.0 microeV at 4.5 K. Their intensities are consistent with the presence of two further unresolved tunneling modes. Quasielastic spectra are composed of three Lorentzians of equal intensities. The two low activation energies and tunnel modes are modeled into consistent rotational potentials. The third activation energy and a librational band are used to guess the strength of the two stronger rotational potentials. The internal modes related to the torsional/librational vibrations mix with ring torsions in the range of 70-220 cm(-1). This way the tunnel modes couple to ring torsions whose energy determines the broadening of both tunnel bands. The calculations for free molecules yield mode frequencies a little bit lower than the experimental inelastic neutron scattering (INS) values. Application of theoretical methods elaborated for the crystalline state leads to a satisfactory consistency. It is also valid for bending modes of NH(2) groups, which in the solid state show much higher frequencies than in the gas phase, as expected.

12.
J Eur Acad Dermatol Venereol ; 23(6): 651-5, 2009 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-19250333

RESUMO

BACKGROUND: Epidemiological data on individuals suffering from severe primary hyperhidrosis are scarce. OBJECTIVE: This study aims to prospectively assess disease-specific characteristics of patients with severe, mostly therapy-resistant hyperhidrosis presenting for sympathetic surgery. METHODS: We evaluated a total of 227 patients (69.6% women) with a mean age of 30 years (standard deviation, 9.5 years) using a standardized questionnaire. Severity of disease was rated on a visual analogue scale (VAS) graded between 0 (no symptoms) and 10 (worst symptom). Age, sex, previous therapies, hormonal therapies and body mass index were analysed for their possible influence on severity of the disease and on hyperhidrosis sites. In addition, allergies were investigated for the first time in this patient population. RESULTS: There was a positive correlation between age of onset and sites of hyperhidrosis. The most commonly affected areas were palmar-axillary-plantar (51.1%) and palmar-plantar (15.0%), with sex-specific differences. Two hundred and twelve patients (93.4%) had previous conservative therapies; 219 patients (96.5%) reported VAS scores between 8 and 10. Female patients stated higher VAS scores for palmar (P = 0.009) and axillary (P = 0.012) sites. Type IV allergies were found to be much higher than in the general Austrian female population. Hormonal therapies and the body mass index had no influence on severity of hyperhidrosis after analysis of VAS scores. CONCLUSION: Sex-dependent aspects can be found in patients strongly affected by primary upper limb hyperhidrosis.


Assuntos
Hiperidrose/cirurgia , Sistema Nervoso Simpático/cirurgia , Adulto , Feminino , Humanos , Masculino , Índice de Gravidade de Doença , Inquéritos e Questionários
13.
BJOG ; 115(11): 1443-50, 2008 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-18715244

RESUMO

OBJECTIVE: To compare the efficacy and safety of induction of labour by vaginal application of dinoprostone or misoprostol or transcervical insertion of a balloon (Bard) catheter. DESIGN: A non-blinded, randomised, controlled trial. SETTING: A tertiary level Swedish hospital. POPULATION: A total of 592 women who had undergone full-term pregnancies, not previously been subjected to a caesarean section, and required induction of labour for common, routine indications. METHODS: Women were randomly assigned to induction of labour using intravaginal dinoprostone (2 mg once every 6 hours) or misoprostol (25 micrograms once every 4 hours) or a transcervical balloon catheter. MAIN OUTCOME MEASURES: The time interval between induction to delivery in general and vaginal delivery in particular, the mode of delivery, maternal and neonatal parameters of outcome. RESULTS: Of the 588 subjects included in the final intention-to-treat analysis, 191 were assigned to treatment with dinoprostone, 199 with misoprostol and 198 with the balloon catheter. The shortest mean induction-to-delivery interval was obtained with the catheter (12.9 hours versus 16.8 and 17.3 hours for dinoprostone and misoprostol, respectively). The efficacies of the two prostaglandins were similar. The maternal and neonatal outcomes associated with each of the three procedures were similar. CONCLUSIONS: Induction of labour with a transcervical balloon catheter is effective and safe and can be recommended as the first choice. The two prostaglandins, dinoprostone and misoprostol, were shown to be equally effective and safe, while misoprostol costs significantly less and is easier to store.


Assuntos
Cateterismo , Dinoprostona/administração & dosagem , Primeira Fase do Trabalho de Parto/fisiologia , Trabalho de Parto Induzido/métodos , Misoprostol/administração & dosagem , Ocitócicos/administração & dosagem , Administração Intravaginal , Adulto , Peso ao Nascer , Feminino , Humanos , Primeira Fase do Trabalho de Parto/efeitos dos fármacos , Gravidez , Resultado da Gravidez
14.
J Chem Phys ; 128(18): 184510, 2008 May 14.
Artigo em Inglês | MEDLINE | ID: mdl-18532829

RESUMO

Deuteron NMR relaxation and spectra were studied at the resonance frequency of 46 MHz in polycrystalline (ND(4))(2)PtCl(6) between 300-5 K. The relaxation rate maximum near 50 K is about 53% smaller than the calculated maximum related to 120 degrees rotations about the threefold symmetry axes of the ammonium ion. The difference is explained by assuming for a N-D vector a total of 24 equilibrium directions, which in groups of six deviate from the nearest Pt-N vector by a certain angle Theta. So-called limited jumps between the directions of each group take place much more frequently than the large-angle rotations, thus rendering a fraction of the deuteron quadrupole coupling ineffective in relaxation. A motional model is presented, which takes into account both these motions simultaneously. A comparison with experimental data leads to Theta=26.0 degrees , in reasonable agreement with earlier neutron diffraction data. A sharp decrease found in the relaxation rate at the order-disorder phase transition temperature of 27.2 K is related to the fact that one of the six equilibrium directions becomes preferred. This leads to a formation of ordered domains, in which the active motion driving the relaxation is 120 degrees rotations. Two components in the spectra found below 55 K are related to domains (broad) and transition regions between domains (narrow). Reasons for the nonexponentiality observed below 20 K are discussed, the most likely explanation being that limited jumps dominate within transition regions and make the corresponding deuterons relax faster than those in domains.

15.
J Chem Phys ; 127(21): 214509, 2007 Dec 07.
Artigo em Inglês | MEDLINE | ID: mdl-18067366

RESUMO

The three isomeric dimethylxanthines and trimethylxanthine are studied by neutron spectroscopy up to energy transfers of 100 meV at energy resolutions ranging from 0.7 microeV to some meV. The loss of elastic intensity with increasing temperature can be modeled by quasielastic methyl rotation. The number of inequivalent methyl groups is in agreement with those of the room temperature crystal structures. Activation energies are obtained. In the case of theophylline, a doublet tunneling band is observed at 15.1 and 17.5 microeV. In theobromine, a single tunneling band at 0.3 microeV is found. Orientational disorder in caffeine leads to a 2.7 microeV broad distribution of tunneling bands around the elastic line. At the same time, broad low energy phonon spectra characterize an orientational glassy state with weak methyl rotational potentials. Librational energies of the dimethylxanthines are clearly seen in the phonon densities of states. Rotational potentials can be derived which explain consistently all observables. While their symmetry in general is threefold, theophylline shows a close to sixfold potential reflecting a mirror symmetry.


Assuntos
Cafeína/química , Difração de Nêutrons , Teobromina/química , Teofilina/química , Xantinas/química , Metilação , Modelos Químicos , Modelos Moleculares , Rotação , Análise Espectral , Termodinâmica
16.
Phys Rev Lett ; 99(12): 125501, 2007 Sep 21.
Artigo em Inglês | MEDLINE | ID: mdl-17930514

RESUMO

Inelastic neutron scattering measurements on thermoelectric Zn4Sb3 reveal a dominant soft local phonon mode at 5.3(1) meV. The form factor of this local mode is characteristic for dumbbells vibrating preferably along the dumbbell axis and can be related to a vibration of Sb dimers along the c axis. The Lorentzian width of the mode corresponds to short phonon lifetimes of 0.39(2) ps and yields an estimate of the thermal conductivity that agrees quantitatively with recent steady state measurements. Heat capacity measurements are consistent with an Einstein mode model describing the local Sb-dimer rattling mode with an Einstein temperature of 62(1) K. Our study suggests that soft localized phonon modes in crystalline solids are not restricted to cagelike structures and are likely to be a universal feature of good thermoelectric materials.

17.
J Chem Phys ; 127(9): 094504, 2007 Sep 07.
Artigo em Inglês | MEDLINE | ID: mdl-17824745

RESUMO

Quasielastic neutron scattering experiments were carried out using the multichopper time-of-flight spectrometer V3 at the Hahn-Meitner Institut, Germany and the backscattering spectrometer at Forschungszentrum Julich, Germany. Activation energies for CH(3)X, X=F, Cl, Br, and I, were obtained. In combination with results from previous inelastic neutron scattering experiments the data were taken to describe the dynamics of the halides in terms of two different models, the single particle model and the coupling model. Coupled motions of methyl groups seem to explain the dynamics of the methyl fluoride and chloride; however, the coupling vanishes with the increase of the mass of the halide atom in CH(3)Br and CH(3)I.

18.
J Chem Phys ; 125(21): 214703, 2006 Dec 07.
Artigo em Inglês | MEDLINE | ID: mdl-17166036

RESUMO

In methane hydrate the dominant peak in the density of states above 3 meV represents a rattling mode of the guest molecule CH(4) in the large ice cages. This mode shifts from 6.7 meV at T=4.5 K to T=30 K to 7.14 meV with conversion of CH(4) guest molecules into the tunneling ground state. The less symmetric angular density distribution PsiPsi(*) in the excited rotational state compared to the ground state allows the methane to fit better in the orientation dependent cage potential surface. This leads to a larger average distance to the cage-forming molecules with a weaker potential and a reduced rattling energy. A two state single particle model with characteristic rattling energies of 5.20 meV for pure T-methane and 7.3 meV for pure A-methane weighted by the population factors can fit the data.

19.
J Chem Phys ; 125(19): 194525, 2006 Nov 21.
Artigo em Inglês | MEDLINE | ID: mdl-17129141

RESUMO

The x-ray diffraction studies of the title complex were carried out at room temperature and 14 K for H/D (in hydrogen bridge) isotopomers. At 82 K a phase transition takes place leading to a doubling of unit cells and alternation of the hydrogen bond lengths linking tetramethylpyrazine (TMP) and chloranilic acid molecules. A marked H/D isotope effect on these lengths was found at room temperature. The elongation is much smaller at 14 K. The infrared isotopic ratio for O-H(D)...N bands equals to 1.33. The four tunnel splittings of methyl librational ground states of the protonated complex required by the structure are determined at a temperature T=4.2 K up to pressures P=4.7 kbars by high resolution neutron spectroscopy. The tunnel mode at 20.6 microeV at ambient pressure shifts smoothly to 12.2 microeV at P=3.4 kbars. This is attributed to an increase of the strength of the rotational potential proportional to r(-5.6). The three other tunnel peaks show no or weak shifts only. The increasing interaction with diminishing intermolecular distances is assumed to be compensated by a charge transfer between the constituents of deltae/e approximately 0.02 kbar(-1). The phase transition observed between 3.4 and 4.7 kbars leads to increased symmetry with only two more intense tunneling bands. In the isotopomer with deuterated hydrogen bonds and P=1 bar all tunnel intensities become equal in consistency with the low temperature crystal structure. The effect of charge transfer is confirmed by a weakening of rotational potentials for those methyl groups whose tunnel splittings were independent of pressure. Density functional theory calculations for the model TMP.(HF)2 complex and fully ionized molecule TMP+ point out that the intramolecular rotational potential of methyl groups is weaker in the charged species. They do not allow for the unequivocal conclusions about the role of the intermolecular charge transfer effect on the torsional frequencies.

20.
J Clin Pathol ; 59(11): 1186-90, 2006 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-16644879

RESUMO

BACKGROUND: That infections with certain pathogens, by initiating an inflammatory response, may contribute to the development of atherosclerosis is suggested by clinical and experimental evidence. AIM: To analyse atherosclerotic plaques of the carotid artery, samples of apparently healthy greater saphenous veins and circulating leucocytes from the same individual patients for the presence of Helicobacter pylori and Mycoplasma pneumoniae. METHODS: Samples from 36 patients undergoing carotid endarterectomy for symptomatic carotid artery stenosis were analysed by polymerase chain reaction for the presence of DNA specific for H. pylori and M. pneumoniae. IgG antibody titres against H. pylori and M pneumoniae and plasma levels of soluble E-selectin, soluble intercellular adhesion molecule-1 and soluble vascular cell adhesion molecule-1 were determined. RESULTS: M. pneumoniae-specific DNA was detected in the atherosclerotic plaques of 13 of 36 (36.1%) patients, in the saphenous veins of 9 of 36 (25%) patients and in the leucocytes of 27 of 36 (75%) patients. No salient association was observed between the presence of M. pneumoniae-specific DNA in leucocytes and atherosclerotic plaques or veins. A marked correlation between the presence of M. pneumoniae in the respective specimens and the studied inflammatory markers or the presence of anti-M. pneumoniae antibodies was not observed. H. pylori-specific DNA could not be detected in the specimens tested. CONCLUSIONS: The absence of H. pylori and the random distribution of M. pneumoniae in tissue samples obtained from patients with symptomatic carotid artery stenosis do not support a role for these pathogens in the development of atherosclerosis due to a direct interaction of the bacteria with the vasculature.


Assuntos
Aterosclerose/microbiologia , Doenças das Artérias Carótidas/microbiologia , Helicobacter pylori/isolamento & purificação , Mycoplasma pneumoniae/isolamento & purificação , Idoso , Idoso de 80 Anos ou mais , Aterosclerose/cirurgia , Doenças das Artérias Carótidas/cirurgia , Moléculas de Adesão Celular/sangue , DNA Bacteriano/análise , Feminino , Infecções por Helicobacter/complicações , Humanos , Mediadores da Inflamação/sangue , Leucócitos/microbiologia , Masculino , Pessoa de Meia-Idade , Infecções por Mycoplasma/complicações , Reação em Cadeia da Polimerase/métodos , Veia Safena/microbiologia
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