Mechanistically, murine I kappa B-NS(-/-) Th17 cells were less pr

Mechanistically, murine I kappa B-NS(-/-) Th17 cells were less proliferative and expressed markedly reduced levels of IL-2, IL-10, MIP-1 this website alpha, and GM-CSF. Citrobacter rodentium was used as a Th17-inducing infection model, in which I kappa B-NS(-/-) mice displayed an increased bacterial burden and diminished tissue damage. These results demonstrate the important function of Th17 cells in pathogen clearance, as well as in inflammation-associated pathology. We identified I kappa B-NS to be crucial for the generation and function of murine Th17 cells upon inflammation and infection. Our findings may have implications for the therapy of autoimmune conditions, such

as inflammatory bowel disease, and for the treatment of gut-tropic infections.”
“To explore the regulatory mechanisms of magnolol and honokiol on calcium-activated potassium channels signaling pathway in Enrerotoxigenic Escherichia coil (ETEC)-induced diarrhea mice, the concentrations Sapanisertib of serum chloride ion (Cl+), sodium ion (Na+), potassium ion (K+) and calcium ion (Ca2+) were measured. Additionally, the

mRNA expressions of calmodulin 1 (CaM), calcium/calmodulin-dependent protein kinase II alpha subunit (CaMKII alpha) and beta subunit (CaMKII beta), ryanodine receptor 1, inositol 1,4,5-trisphosphate receptors (IP3 receptors), protein kinases C (PKC), potassium intermediate/ small conductance calcium-activated channels (SK) and potassium large conductance calcium-activated

channels(BK)were determined. A diarrhea mouse model was established using ETEC suspensions (329 x 10(9) CFU/ml) at a dosage of 0.02 ml/g live body weight (BW). Magnolol or honokiol was intragastrically administered at dosages of 100 (M100 or H100), 300 (M300 or H300) and 500 (M500 or H500) mg/kg BW according to a 3 x 3 factorial arrangement. Magnolol and honokiol increased the Cl- and K+ concentrations, further, upregulated the CaM, BK alpha 1 and BK beta 3 mRNA levels but downregulated the IP3 receptors 1, PKC, SK1, SK2, 513, SK4 and BK beta 4 mRNA expressions. Magnolol and honokiol did not alter the CaMKII alpha, CaMII beta, ryanodine receptor 1, IP3 receptor 2, IP3, receptor 3, BK beta 1 and BK beta 2 mRNA expressions. These results clarify that magnolol and honokiol, acting through Ca2+ channel buy AZD1480 blockade, inhibit the activation of IP3 receptor 1 to regulate the IP3-Ca2+ store release, activate CaM to inhibit SK channels, and effectively suppress PKC kinases to promote BK alpha 1 and BK beta 3 channels opening and BK beta 4 channel closing, which modulates the intestinal ion secretion. (C) 2015 Elsevier B.V. All rights reserved.”
“The biodynamic and saturation models offer promising lines of enquiry to predict the bioaccumulation of metals by aquatic organisms. However, in order to construct these models, the accumulation strategies have to be defined for each metal/organism couple in controlled conditions.

Recombinant proteins of the functional Ws TPS02 and Col-0 TPS03 g

Recombinant proteins of the functional Ws TPS02 and Col-0 TPS03 genes both showed (E)-beta-ocimene and (E, E)-alpha-farnesene synthase

activities. However, differential selleck chemicals subcellular compartmentalization of the two enzymes in plastids and the cytosol was found to be responsible for the ecotype-specific differences in (E)-beta-ocimene/(E, E)-alpha-farnesene emission. Expression of the functional TPS02 and TPS03 alleles is induced in leaves by elicitor and insect treatment and occurs constitutively in floral tissues. Our studies show that both pseudogenization in the TPS family and subcellular segregation of functional TPS enzymes control the variation and plasticity of induced volatile emissions in wild plant species.”
“Quality assurance work requires acquisition of valid data, as well as mechanisms for enforcing quality criteria, detecting (non-)adherence to these criteria, and for improving inadequate performance. This chapter deals primarily

with the various tools available to acquire information at the various steps of the patient CH5183284 journey. Different challenges arise in the prehospital phase, in the endoscopy room, and in the follow-up phase. The endoscopy report is a vital tool for much of the quality work, but other adjoining systems may be equally important to ensure completeness of the dataset required to ensure the requested quality. Future development is discussed briefly, since many of the present challenges may be solved with improved mechanics. (C) 2011 Elsevier Ltd. All rights reserved.”
“Two trials were conducted to study the effects of two Chinese herbal polysaccharides, Astragalus polysaccharides (APS) and Achyranthes bidentata polysaccharides (ABPS), and one Chinese herbal saponin, Acantbepanax senticosus saponin (ASS), on the immunity and growth performance of selleck chemicals llc weaned pigs. Experiment I was a 14-day growth assay, in which 32 weaned pigs were randomly allocated to one of four dietary treatments: i) 0.05% talcum powder control: ii) 0.05% APS; iii) 0.05%

mixture of APS and ASS in a 1:1 ratio by weight; and iv) 0.05% mixture of APS. ASS, and ABPS in a ratio of 1:1:1 by weight. Blood samples were collected on day 14 to determine plasma parameters. Feed intake, body weight gain, and feed efficiency were also determined. Experiment 2 was a 21-day immunity assay, in which 16 weaned pigs were randomly allotted to one of two dietary treatments: i) 0.05% talcum powder control; and ii) 0.05% mixture of APS and ASS in a 1:1 ratio by weight. On day 21, pigs were challenged with lipopolysaccharide (LPS) and 3 h later blood samples were collected and analyzed for lymphocyte proliferation as well as interleukin 6 (IL-6), insulin-like growth factor 1 (IGF-1), growth hormone (GH), and cortisol levels. In Experiment I. feeding Chinese herbal polysaccharides and saponin increased growth performance of the pigs.

Results: PBMCs from 12 of 35 subjects responded to M tuberculosi

Results: PBMCs from 12 of 35 subjects responded to M. tuberculosis-specific antigens ESAT-6 and CFP10 as well as to MPT64, which suggested that they were infected with M. tuberculosis. Ten of twelve T-cell lines established from these donors responded to MPT64, and nine T-cell lines responded to 1 or more of the peptides of MPT64 in antigen-induced proliferation assays. Furthermore, 18 of the 20 peptides of MPT64 were recognized by the T-cell lines in 1 or more assay systems, and at least 5 peptides were recognized by T-cell lines from HLA-DR-heterogeneous subjects. Conclusion: Th1-cell-reactive epitopes are scattered throughout the sequence of MPT64, and at least 5

of its peptides are presented to YH25448 ic50 Th1-cells in a HLA-promiscuous manner. Copyright (C) 2010 S. Karger AG, Basel”
“Propolis has a broad spectrum of biological activities; however, whether its essential oils have neuroprotective effects is unknown. In this Selleck CDK inhibitor study, we found that propolis essential oil (PEO) could significantly reverse the anxiety-like behavior of restraint-stressed mice, and has no effect on locomotor activity. Furthermore, PEO significantly decreased the plasma levels of cortisol (CORT), adrenocorticotropic hormone (ACTH) and malondialdehyde (MDA), whereas it increased the activity of superoxide

dismutase (SOD) in restraint-stressed mice. These results strongly

suggest that PEO has therapeutic effects on anxiety NCT-501 order through antagonizing the hyperfunction of hypothalamic-pituitary-adrenal (HPA) axis and improving the ability of antioxidation in brain tissue.”
“Oscillations of the intracellular concentration of Ca(2+) in cultured HEK-293 cells, which heterologously expressed the calcium-sensing receptor, were recorded with the fluorophore Fura-2 using fluorescence microscopy. HEK-293 cells are extremely sensitive to small perturbations in extracellular calcium concentrations. Resting cells were attached to cover slips and perifused with saline solution containing physiologically relevant extracellular Ca(2+) concentrations in the range 0.5-5 mM. Acquired digitized images of the cells showed oscillatory fluctuations in the intracellular Ca(2+) concentration over the time course, and were processed as a function of the change in Fura-2 excitation ratio and frequency at 12-37A degrees C. Newly developed data processing techniques with wavelet analysis were used to estimate the frequency at which the rectified sinusoidal oscillations occurred; we estimated similar to 4 min(-1) under normal conditions. Temperature variations revealed an Arrhenius relationship in oscillation frequency. A critical Ca(2+) concentration of similar to 2 mM was estimated, below which oscillations did not occur.

We revisited 152 Peruvian children who participated in a birth co

We revisited 152 Peruvian children who participated in a birth cohort study between 1995 and 1998, and obtained anthropometric and bioimpedance measurements 1114 years later. We used multivariable regression models to study the effects of childhood anthropometric indices on height

and body composition in early adolescence. Each standard deviation decrease in length-for-age at birth was associated with a decrease in adolescent height-for-age of 0.7 SD in both boys and girls (all P < 0.001) and 9.7 greater odds of stunting (95% CI 3.328.6). Each SD decrease in length-for-age in the first 30 months of life was associated with a decrease in adolescent height-for-age of 0.4 in boys and 0.6 standard deviation in girls (all P < 0.001) and with 5.8 greater odds of stunting (95% CI 2.613.5). The effect of weight gain during early childhood on weight in early

adolescence was more complex to understand. Weight-for-length at birth and rate of change in weight-for-length in early childhood were positively associated with age- and sex-adjusted body mass index and a greater risk of Selleck A1155463 being overweight in early adolescence. Linear growth retardation in early childhood is a strong determinant of adolescent stature, indicating that, in developing countries, growth failure in height during early childhood persists through early adolescence. Interventions addressing linear growth retardation in childhood are likely to improve adolescent stature and related-health outcomes in adulthood. Am J Phys Anthropol 148:451461, 2012. (c) 2012 Wiley Periodicals, Inc.”
“For women with hormone receptor-positive disease, the third-generation aromatase inhibitors (AIs), anastrozole, letrozole, and exemestane, are more effective than tamoxifen in improving disease-free survival (DFS) when used initially or as adjuvant therapy following two to three years of tamoxifen or after tamoxifen has been completed. Demonstrating improvement in overall survival (OS), or breast cancer-associated mortality, however, requires long follow-up in

large numbers of patients. Subsequent crossover to another treatment following disease recurrence further confounds the assessment of OS benefit. DFS is the find more primary end point of most adjuvant trials, but the definition varies among trials, making cross-trial comparisons difficult. Importantly, DFS benefit does not always correlate with OS benefit. Distant metastasis is a well-recognized predictor of breast cancer-associated mortality, and AIs have shown greater efficacy over tamoxifen in reducing distant metastatic events and improving distant DFS (DDFS). A small proportion of initially treated early breast cancer patients may already have micrometastatic tumor deposits that can result in the rapid development of distant metastases.

Through coproparasitological examination of both groups, enteropa

Through coproparasitological examination of both groups, enteroparasites were detected in 15 of 200 individuals examined (7.5%;

CI: 5.1-9.9). S. stercoralis was the most frequent parasite 10/200 (5%; CI: 4.2-5.8), being significantly higher in males and in individuals with autonomy for daily living activities. There were no statistical differences in the prevalence of parasites between the two groups compared. In conclusion, S. stercoralis infection was highly prevalent in elderly patients and it does not depend on whether the individual Vorinostat datasheet was institutionalized or not.”
“Familial Mediterranean fever (FMF) inflammatory attacks are often triggered by metabolic or physical stress. mTOR signaling and autophagy modulate cellular responses to metabolic danger signals. In this study, we investigated the implication of mTOR inhibition and autophagy in FMF pathophysiology. mTOR inhibition induced MEFV gene LY3039478 cost expression in polymorphonuclear cells (PMNs) from healthy individuals, whereas it had no effect on PMNs from attack-free FMF patients.

A significant reduction in pyrin levels in PMNs from FMF patients after mTOR inhibition was also observed. Pyrin levels in control PMNs remained unaffected. Moreover, the basal autophagic status in PMNs from FMF patients was reduced, as indicated by the lower LC3B-II/I ratio and ATG mRNA expression levels. However, mTOR inhibition had similar effects on the induction of autophagy in the two groups. The differential pyrin expression after metabolic stress induction and the impaired basal autophagy suggest a potential role in the triggering of FMF attacks. (C) 2011 selleck kinase inhibitor American Society for Histocompatibility and lmmunogenetics. Published by Elsevier Inc. All rightsreserved.”
“Background: Several injectable disease-modifying drugs are available for the treatment of multiple sclerosis (MS) to control disease progression and reduce relapse frequency and severity. However, the benefits offered by treatment may be compromised by suboptimal levels of adherence to prescribed regimens. Objective: To examine what is now known about adherence

to MS therapies, and to discuss how technological advances may affect adherence in the future, with reference to examples from other therapy areas. Results: Perceived lack of efficacy and therapy-related adverse events are important factors influencing poor adherence. Comprehensive patient education and support are vital in maintaining adherence to MS therapies. Also, improvements in the tolerability, convenience of administration and patient acceptability of MS therapies may enhance adherence. This may be achieved by adjustments to drug formulation and the use of injection devices. Auto-injector devices have been shown to reduce the incidence of injection-site reactions and discomfort in patients with MS, and it is hoped that improvements in delivery technology may further enhance patient motivation to remain adherent to MS therapy in the future.

“Background Accumulating evidence

suggests an asso

“Background Accumulating evidence

suggests an association between prenatal exposure to antiepileptic drugs (AEDs) and increased risk of both physical anomalies and neurodevelopmental impairment. Neurodevelopmental impairment is characterised by either a specific deficit or a constellation ATR inhibitor of deficits across cognitive, motor and social skills and can be transient or continuous into adulthood. It is of paramount importance that these potential risks are identified, minimised and communicated clearly to women with epilepsy. Objectives To assess the effects of prenatal exposure to commonly prescribed AEDs on neurodevelopmental outcomes in the child and to assess the methodological quality of the evidence. Search methods We searched

the Cochrane Epilepsy Group Specialized Register (May 2014), Cochrane Central Register of Controlled Trials (CENTRAL) in The Cochrane Library (2014, Issue 4), MEDLINE (via Ovid) (1946 to May 2014), EMBASE (May 2014), Pharmline (May 2014) and Reprotox (May 2014). No language restrictions were imposed. Conference abstracts from the last five years were reviewed along with reference lists from the included studies. Selection criteria Prospective cohort controlled studies, cohort studies set within pregnancy registers and randomised controlled BAY 80-6946 solubility dmso trials were selected for inclusion. Participants were women with epilepsy taking AED treatment; the two control groups were women without epilepsy and women with epilepsy who were not taking AEDs during pregnancy. Data collection and analysis Three authors (RB, JW and JG) independently selected studies for inclusion. Data extraction and risk of bias assessments were completed by five authors (RB, JW, AS, NA, AJM). The primary outcome was global cognitive functioning. Secondary outcomes included deficits in specific cognitive domains or prevalence of neurodevelopmental disorders. Due to substantial

variation in study design and outcome reporting only limited data synthesis EX 527 price was possible. Main results Twenty-two prospective cohort studies were included and six registry based studies. Study quality varied. More recent studies tended to be larger and to report individual AED outcomes from blinded assessments, which indicate improved methodological quality. The developmental quotient (DQ) was lower in children exposed to carbamazepine (CBZ) (n = 50) than in children born to women without epilepsy (n = 79); mean difference (MD) of -5.58 (95% confidence interval (CI) -10.83 to -0.34, P = 0.04). The DQ of children exposed to CBZ (n = 163) was also lower compared to children of women with untreated epilepsy (n = 58) (MD -7.22, 95% CI 12.76 to -1.67, P = 0.01).

We tested the hypothesis in 2 songbird species by examining femal

We tested the hypothesis in 2 songbird species by examining female behavior during natural and experimentally induced absences of males. Male absence caused increased vigilance in foraging females that decreased their efficiency and resulted in less time spent incubating eggs. Male guarding of nonfertile females can thus provide a previously unrecognized

form of indirect parental care.”
“Microscopic examination of transplanted Selleck PD173074 islets in an ectopic environment provides information to evaluate islet engraftment, including revascularization and reinnervation. However, because of the dispersed nature of blood vessels and nerves, global visualization of the graft neurovascular network has been difficult. In this research we revealed the neurovascular network by preparing transparent mouse islet grafts under the kidney capsule with optical clearing to investigate the sympathetic reinnervation via three-dimensional

confocal microscopy. Normoglycemic and streptozotocin-induced diabetic mice were used in syngeneic islet transplantation, with both groups maintaining euglycemia after transplantation. Kinase Inhibitor Library Triple staining of insulin/glucagon, blood vessels, and tyrosine hydroxylase (sympathetic marker) was used to reveal the graft microstructure, vasculature, and sympathetic innervation. Three weeks after transplantation, we observed perigraft sympathetic innervation similar to the peri-islet sympathetic innervation in the pancreas. Six weeks after transplantation, prominent intragraft, perivascular sympathetic innervation was achieved, resembling the pancreatic intraislet, perivascular sympathetic innervation in situ. Meanwhile, in diabetic recipients, a higher graft sympathetic Y-27632 clinical trial nerve density was found compared with grafts in normoglycemic recipients, indicating the graft neural plasticity in response to the physiological difference of the recipients and the resolving power of this imaging approach. Overall, this new graft imaging method provides a useful tool to identify the islet

neurovascular complex in an ectopic environment to study islet engraftment.”
“Influenza is a viral disease that affects human and several animal species. In Brazil, H1N1, H3N2 and 2009 pandemic H1N1 A(H1N1)pdm09 influenza A viruses (IAV) circulate in domestic swine herds. Wild boars are also susceptible to IAV infection but in Brazil until this moment there are no reports of IAV infection in wild boars or in captive wild boars populations. Herein the occurrence of IAV in captive wild boars with the presence of lung consolidation lesions during slaughter was investigated. Lung samples were screened by RT-PCR for IAV detection. IAV positive samples were further analyzed by quantitative real-time PCR (qRRT-PCR), virus isolation, genomic sequencing, histopathology and immunohistochemistry (IHC).

Results: Fifty-one patients were registered in the CUP; 49 receiv

Results: Fifty-one patients were registered in the CUP; 49 received cabazitaxel. Forty-two of

49 patients [85.7%], 42 patients had >= 2 metastatic sites. Patients received on average 6 cabazitaxel cycles (range, 1-21). A dose reduction or dose delay occurred in 13 and 20 patients [26.5% and 40.9%] respectively. Prophylactic granulocyte colony-stimulating factor (G-CSF) was used in 8 patients [16.3%]. Grade >= 3 adverse events were observed in 25 patients [51.0%]; 16 patients [32.7%] discontinued treatment because of treatment-emergent adverse events (TEAEs). Serious adverse events (SAEs) occurred in 16 (32.7%) patients; the most frequent SAEs were hematuria selleck compound (4 patients [8.3%]) and urosepsis (3 patients [6.3%]). Febrile neutropenia occurred twice; no patient had grade >= 3 neuropathy. No toxicity-related mortality occurred. Median follow-up was 24.1 months. Median OS was 8.7 months (interquartile range [IQR], 6.0-15.9 months); median TTPP was 2.8 months (IQR, 1.7-5.9 months). Conclusion: In the Dutch CUP, patients with advanced mCRPC had delayed AZD8055 PI3K/Akt/mTOR inhibitor tumor progression with acceptable toxicities using cabazitaxel treatment. (C) 2013 Elsevier Inc. All rights reserved.”
“Clin Microbiol Infect 2012; 18 (Suppl. 5) 16 Abstract Louis Pasteur (18221895) is an exceptional

scientist who opened a new era in medicine and biology. Starting from studies on crystals of by-products of wine fermentation, he first defined a distinct chemistry between dead and living matters. He then showed the role of living microbes in the fermentation and putrefaction processes. This brought him to challenge the two-millennium-old theory of spontaneous generation, using remarkably well-designed BIIB057 experiments. His observations on epidemics in silkworms allowed him to demonstrate the role of specific germs in infectious diseases. His discovery of the vaccine against fowl cholera can be considered as the birth of immunology. Finally, he became universally recognized through his famous vaccinations against anthrax and rabies.”
“Background: It has been described that Caucasian patients with cutaneous malignant melanoma (CMM)

are at an increased risk of developing second primary cancer. However, no large-scale study of second primary cancer in CMM patients has been conducted among Asians, who have distinctly different skin types.\n\nObjective: We sought to access the risk of second primary cancer among CMM patients based on data from a nationwide database in Taiwan.\n\nMethods: Utilizing the catastrophic illness database of Taiwan’s National Health Insurance Research Database, we identified 2665 CMM patients without prior cancers in the period from 1997 to 2008. The standard incidence ratio (SIR) of each cancer was calculated.\n\nResults: The mean age +/- standard deviation at diagnosis of CMM was 62.2 +/- 17.4 years. The mean annual incidence was 0.9 cases per 100,000 people.

), KEGG analysis revealed a number of categories which identify o

), KEGG analysis revealed a number of categories which identify oxidative stress as a topic of interest for the gland. GO analysis also Belnacasan order revealed that branched chain essential amino acids (e.g., valine, leucine, isoleucine) are potential metabolic fuels for the rectal gland. In addition, up regulation of transcripts for many genes in the anticipated GO categories did not agree (i.e., fasting down regulated in feeding treatments) with previously observed increases in their respective proteins/enzyme activities. These results suggest an ‘anticipatory’ storage of selected mRNAs which presumably supports

the rapid translation of proteins upon feeding activation of the gland. (C) 2013 Elsevier Inc. All rights reserved.”
“Background: This study evaluates the potential of bone morphogenetic protein 2 (BMP-2) gene-transduced bone marrow stem cells (BMSCs) to facilitate osseous healing after

rabbit maxillary sinus augmentation in conjunction with implant placement.\n\nMethods: Autologous BMSCs derived from New Zealand white rabbits were cultured and transduced with BMP-2 using an adenovirus vector. Transduced BMSCs (BMP-2/BMSCs) were then combined with a deproteinized bovine bone mineral (DBBM) scaffold. Twenty-seven animals were randomly allocated into three groups: 1) control, sinus grafted with DBBM alone; 2) BMSC, sinus grafted with non-transduced BMSCs and DBBM; and BI-D1870 concentration 3) BMP-2/BMSC, sinus grafted with BMP-2/BMSCs and DBBM. During these procedures, a mini-implant was placed in the floor of the sinus. Animals were sacrificed at 2, 4, and 8 weeks after surgery. New bone area and bone-to-implant contact (BIC) were evaluated histomorphometrically.\n\nResults: At 2 and

4 weeks, the BMP-2/BMSC group showed more new bone area and higher BIC than the other two groups. BMP-2/BMSCs were detected with confocal microscopy for up to 4 weeks, which indicates that transduced cells contributed to new bone formation. However, at 8 weeks, there was no difference in new bone area or BIC among the three groups.\n\nConclusions: These results suggest that BMP-2 delivery using BMSCs may result in earlier and increased bone formation in the maxillary sinus. This finding may offer more stable bone support to implants and reduce healing times. However, this study also revealed limitations in the stimulatory effect of BMP-2/BMSCs, such as diminished activity over time in later healing stages.”
“Evolution of the neurochemical profile consisting of 19 metabolites after 30 mins of middle cerebral artery occlusion was longitudinally assessed at 3, 8 and 24 h in 6 to 8 mu L volumes in the striatum using localized (1)H-magnetic resonance spectroscopy at 14.1 T.

Method: Sixty

eyes of 60 normal human Subjects were r

\n\nMethod: Sixty

eyes of 60 normal human Subjects were recruited into 1 of 3 age groups, group 1 : aged <35 years, group 2: aged 35-50 years, and group 3: aged >50 years. All eyes were examined Using slit-lamp biomicroscopy, noncontact conical esthesiometry, and slit scanning in vivo confocal microscopy.\n\nResults: The mean subbasal nerve density and the mean corneal sensitivity were greatest centrally (14,731 +/- 6056 mu m/mm(2) and 0.38 +/- 0.21 millibars, respectively) and lowest in the nasal mid periphery (7850 +/- 4947 mu m/mm(2) and 0.49 +/- 0.25 millibars, MK 5108 respectively). The mean subbasal nerve tortuosity coefficient was greatest in the temporal mid periphery (27.3 +/-

6.4) and lowest in the superior mid periphery (19.3 +/- 14. 1). There was no significant difference in mean total subbasal nerve density between age groups. However, corneal sensation (P = 0.001) and subbasal nerve tortuosity (P = 0.004) demonstrated significant differences between age groups. Subbasal nerve density only showed significant correlations with cortical sensitivity threshold in the temporal cornea and see more with subbasal nerve tortuosity in the interior and nasal cornea. However, these correlations were weak.\n\nConclusions: This study quantitatively analyzes living human corneal nerve structure and an aspect of nerve function. There is no strong correlation between subbasal nerve density and corneal sensation. This study provides useful baseline data for the normal living human cornea at central and mid-peripheral locations.”
“We XMU-MP-1 report results on

nucleation, growth, and structure formation of methane/n-nonane clusters in an expanding system investigated by molecular dynamics simulation. From bulk phase equilibria data, it is expected that the concentration of the less volatile substance n-nonane in the clusters is very high. However, analyses of experimental data in the literature suggest somewhat higher methane content at onset of nucleation. Our simulations show that the methane mole fraction is actually very high and increases even further at the beginning of the cluster growth. On the other hand, in this transient state after nucleation the methane mole fraction in the cluster core decreases, leaving a n-nonane rich core, i.e., we observe the phase separation inside the growing cluster. Methane is squeezed out from the core to the surface and then evaporates from the surface shell during expansion of the system. (C) 2012 American Institute of Physics. []“
“First-principles calculations of beta-SiC(111)/alpha-Ti(0001) interface have been performed and the adhesion strength, interface energy, interfacial fracture toughness, and electronic structure are obtained.