Phase-field-simplified lattice Boltzmann method for modeling solid-liquid phase change.

This article proposes a phase-field-simplified lattice Boltzmann method (PF-SLBM) for modeling solid-liquid phase change problems within a pure material. The PF-SLBM consolidates the simplified lattice Boltzmann method (SLBM) as the flow solver and the phase-field method as the interface tracking algorithm. Compared with conventional lattice Boltzmann modelings, the SLBM shows advantages in memory cost, boundary treatment, and numerical stability, and thus is more suitable for the present topic which includes complex flow patterns and fluid-solid boundaries. In contrast to the sharp interface approach, the phase-field method utilized in this work represents a diffuse interface strategy and is more flexible in describing complicated fluid-solid interfaces. Through abundant benchmark tests, comprehensive validations of the accuracy, stability, and boundary treatment of the proposed PF-SLBM are carried out. The method is then applied to the simulations of partially melted or frozen cavities, which sheds light on the potential of the PF-SLBM in resolving practical problems.

Genomic innovations, transcriptional plasticity and gene loss underlying the evolution and divergence of two highly polyphagous and invasive Helicoverpa pest species.

BACKGROUND: Helicoverpa armigera and Helicoverpa zea are major caterpillar pests of Old and New World agriculture, respectively. Both, particularly H. armigera, are extremely polyphagous, and H. armigera has developed resistance to many insecticides. Here we use comparative genomics, transcriptomics and resequencing to elucidate the genetic basis for their properties as pests. RESULTS: We find that, prior to their divergence about 1.5 Mya, the H. armigera/H. zea lineage had accumulated up to more than 100 more members of specific detoxification and digestion gene families and more than 100 extra gustatory receptor genes, compared to other lepidopterans with narrower host ranges. The two genomes remain very similar in gene content and order, but H. armigera is more polymorphic overall, and H. zea has lost several detoxification genes, as well as about 50 gustatory receptor genes. It also lacks certain genes and alleles conferring insecticide resistance found in H. armigera. Non-synonymous sites in the expanded gene families above are rapidly diverging, both between paralogues and between orthologues in the two species. Whole genome transcriptomic analyses of H. armigera larvae show widely divergent responses to different host plants, including responses among many of the duplicated detoxification and digestion genes. CONCLUSIONS: The extreme polyphagy of the two heliothines is associated with extensive amplification and neofunctionalisation of genes involved in host finding and use, coupled with versatile transcriptional responses on different hosts. H. armigera's invasion of the Americas in recent years means that hybridisation could generate populations that are both locally adapted and insecticide resistant.

A critical study of the generality of the two step two electron pathway for water splitting by application of a C3N4/MnO2 photocatalyst.

A novel C3N4-CDot composite photocatalyst was very recently shown to be highly efficient and very stable in water splitting by solar radiation without using any sacrificial reagent (J. Liu, et al., Science, 2015, 347(6225), 970). This photocatalyst utilizes a two-electron/two-step process in which the production of H2O2 and H2 is photocatalyzed by using C3N4 in the first step and H2O2 is decomposed by using CDots in the second step. The present work is a study on the generality of this approach by application of a C3N4/MnO2 catalyst. This new catalyst indeed splits water by a two step process in a stable way, without any sacrificial agent. It was however found that though the absorbance of the new catalyst in the visible range of 500-600 nm is much larger than that of the C3N4-CDot catalyst, its water splitting efficiency is much lower. These findings add insight into and assist in the further optimization of this new class of photocatalysts to meet the requirements of commercial water splitting systems.

Two subclasses of odorant-binding proteins in Spodoptera exigua display structural conservation and functional divergence.

Although many studies on lepidopteran pheromone-binding proteins (PBPs)/ general odorant-binding proteins (GOBPs) have been reported, the functional differentiation within and between the two odorant-binding protein (OBP) subclasses is still elusive. Here we conducted a comparative study on three SexiPBPs and two SexiGOBPs in Spodoptera exigua. Results showed that all five SexiPBP/GOBP genes have the same intron numbers and conserved exon/intron splice sites. Reverse transcription PCR results showed that these five SexiPBP/GOBPs were primarily expressed in antennae of both sexes and some were also detected in other tissues. Further, quantitative real-time PCR showed that five SexiPBP/GOBPs had different sex-biased expression patterns, with PBP1 being highly male-biased (5.96-fold difference) and PBP3 slightly female-biased (2.43-fold difference), while PBP2 and two GOBPs were approximately sex-equivalent (the absolute value<1.90-fold difference). Binding assays showed that all three SexiPBPs could bind all six sex pheromone components, but SexiPBP1 had much higher affinities [dissociation constant (Ki ) <1.10 µM] than did the other two SexiPBPs (Ki >1.20 µM). Very intriguingly, SexiGOBP2 displayed even stronger binding to five sex pheromone components (Ki <0.40 µM) than SexiPBP1. In contrast, SexiGOBP1 only exhibited weak binding to three alcohol-pheromone components. Similar results were obtained for tested pheromone analogues. In addition, each of SexiPBP/GOBPs selectively bound some plant odorants with considerable affinities (Ki <10.0 µM). Taken together, of the three SexiPBPs, SexiPBP1 may play the most important role in female sex pheromone reception, and additionally all three SexiPBPs can detect some plant odorants, while SexiGOBP2 may be involved in the detection of female sex pheromones in addition to plant odorants. The results strongly suggest functional differentiation within and between the two OBP sub-classes.

Chemosensory receptor genes in the Oriental tobacco budworm Helicoverpa assulta.

The Oriental tobacco budworm (Helicoverpa assulta) is a specialist herbivore moth and its larvae feed on Solanaceous plants. (Z)-9-hexadecenal (Z9-16: Ald) is the major sex pheromone component in H. assulta but the specific pheromone receptor (PR) against Z9-16: Ald has not yet been identified. In the present study, we integrated transcriptomic, bioinformatic and functional characterization approaches to investigate the chemosensory receptor genes of H. assulta. We identified seven potential PRs with 44 olfactory receptors, 18 gustatory receptors and 24 ionotropic receptors, which were further studied by in silico gene expression profile, phylogenetic analysis, reverse transcription PCR and calcium imaging assays. The candidate PR, HassOR13, showed a strong response to the minor sex pheromone component, (Z)-11-hexadecenal, but not the major component, Z9-16: Ald, in calcium imaging assays. This study provides the molecular basis for comparative studies of chemosensory receptors between H. assulta and other Helicoverpa species and will advance our understanding of the evolution and function of Lepidoptera insect chemosensation.

HLA-DQ association and allele competition in Chinese narcolepsy.

In Japanese, Koreans and Caucasians, narcolepsy/hypocretin deficiency is tightly associated with the DRB1*15:01-DQA1*01:02-DQB1*06:02 haplotype. Studies in African-Americans suggest a primary effect of DQB1*06:02, but this observation has been difficult to confirm in other populations because of high linkage disequilibrium between DRB1*15:01/3 and DQB1*06:02 in most populations. In this study, we studied human leucocyte antigen (HLA) class II in 202 Chinese narcolepsy patients (11% from South China) and found all patients to be DQB1*06:02 positive. Comparing cases with 103 unselected controls, and 110 and 79 controls selected for the presence of DQB1*06:02 and DRB1*15:01, we found that the presence of DQB1*06:02 and not DRB1*15:01 was associated with narcolepsy. In particular, Southern Chinese haplotypes such as the DRB1*15:01-DQA1*01:02-DQB1*06:01 and DRB1*15:01-DQA1*01:02-DQB1*05 were not associated with narcolepsy. As reported in Japanese, Koreans, African-Americans and Caucasians, additional protective effects of DQA1*01 (non-DQA1*01:02) and susceptibility effects of DQB1*03:01 were observed. These results illustrate the extraordinary conservation of HLA class II effects in narcolepsy across populations and show that DRB1*15:01 has no effect on narcolepsy susceptibility in the absence of DQB1*06:02. The results are also in line with a previously proposed 'HLA-DQ allelic competition model' that involves competition between non-DQA1*01:02, non-DQB1*06:02 'competent' (able to dimerize together) DQ1 alleles and the major DQα*01:02/ DQß*06:02 narcolepsy heterodimer to reduce susceptibility.

Analysis of differentially expressed proteins involved in hand, foot and mouth disease and normal sera.

We implemented 2-D DIGE technology on proteins prepared from serum obtained from children with hand, foot and mouth disease (HFMD) and controls, to study the differentially expressed proteins in control and HFMD serum samples. Proteins found to be differentially expressed were identified with matrix-assisted laser desorption/ionization time-of-flight/ time-of-flight mass spectrometry (MALDI-TOF/TOF MS) analysis. We identified 30 proteins from mild HFMD samples and 39 proteins from severe HFMD samples, compared with the normal controls. 25 proteins among them (14 up-regulated and 11 down-regulated proteins) are found in both HFMD groups. Classification analysis and protein-protein interaction map showed that they associate with multiple functional groups, including transporter activity and atalytic activity. These findings build up a comprehensive profile of the HFMD proteome and provide a useful basis for further analysis of the pathogenic mechanism and the regulatory network of HFMD.

The axr6 mutants of Arabidopsis thaliana define a gene involved in auxin response and early development.

The indolic compound auxin regulates virtually every aspect of plant growth and development, but its role in embryogenesis and its molecular mechanism of action are not understood. We describe two mutants of Arabidopsis that define a novel gene called AUXIN-RESISTANT6 (AXR6) which maps to chromosome 4. Embryonic development of the homozygous axr6 mutants is disrupted by aberrant patterns of cell division, leading to defects in the cells of the suspensor, root and hypocotyl precursors, and provasculature. The homozygous axr6 mutants arrest growth soon after germination lacking a root and hypocotyl and with severe vascular pattern defects in their cotyledons. Whereas previously described mutants with similar developmental defects are completely recessive, axr6 heterozygotes display a variety of morphological and physiological alterations that are most consistent with a defect in auxin physiology or response. The AXR6 gene is likely to be important for auxin response throughout the plant, including early development.

Inhibitory anti-CYP3A4 peptide antibody: mapping of inhibitory epitope and specificity toward other CYP3A isoforms.

An antipeptide antibody has been produced that recognizes CYP3A4 and exhibits greater than 90-95% inhibition on CYP3A4-mediated reactions [Wang RW and Lu AYH (1997) Drug Metab Dispos 25:762-767]. The inhibitory epitope of the 21-amino acid peptide, corresponding to residues 253 to 273 of CYP3A4, has been identified to reside in a 7-amino acid sequence (LEDTQKH: residues 261-267 of CYP3A4). This conclusion was based on the reversal of antibody inhibition of testosterone 6beta-hydroxylation when peptides with overlapping sequence in this region were preincubated with the antibody. In immunoblotting analysis, this antibody did not recognize CYP3A5 or CYP3A7 in microsomes prepared from baculovirus-infected cells containing these two expressed isoforms. In addition, the antipeptide antibody did not inhibit testosterone 6beta-hydroxylation or midazolam 1'- and 4-hydroxylation in microsomes containing expressed CYP3A5 and CYP3A7. Because the corresponding sequence in CYP3A5 (LNDKQKH) and CYP3A7 (LKETQKH) differs from CYP3A4 by only two amino acids, six peptides with either one or two amino acid changes were used to determine which amino acid is essential for antibody-antigen interaction. Our data indicate that Glu, Asp, and Thr in the 7-amino acid sequence of CYP3A4 are critical determinants of selectivity among CYP3A isoforms.

gamma-Linolenic acid treatment of rheumatoid arthritis. A randomized, placebo-controlled trial.

OBJECTIVE: To assess the clinical efficacy and adverse effects of gamma-linolenic acid (GLA), a plant seed oil-derived unsaturated fatty acid that suppresses inflammation and joint tissue injury in animal models, in the treatment of active rheumatoid arthritis (RA). METHODS: Fifty-six patients with active RA were randomized to treatment groups in a 6-month, double-blind trial of GLA versus placebo. This was followed by a 6-month, single-blind trial during which all patients received GLA. Patients were treated with 2.8 gm/day of GLA as the free fatty acid or with sunflower seed oil (placebo) administered in identical capsules. RESULTS: Treatment with GLA for 6 months resulted in statistically significant and clinically relevant reductions in the signs and symptoms of disease activity in patients with RA. Overall meaningful responses (at least 25% improvement in 4 measures) were also better in the GLA treatment group (14 of 22 patients versus 4 of 19 in the placebo group; P = 0.015). During the second 6 months, both groups exhibited improvement in disease activity. Thus, patients taking GLA during the entire study showed progressive improvement during the second 6 months. In this group, 16 of 21 patients showed meaningful improvement at 12 months compared with study entry. CONCLUSION: GLA at doses used in this study is a well-tolerated and effective treatment for active RA. GLA is available as a component of several plant seed oils and is usually taken in far lower doses than were used in this trial. It is not approved in the United States for the treatment of any condition, and should not be viewed as therapy for any disease. Further controlled studies of its in RA are warranted.

Treatment of Lyme arthritis.

OBJECTIVE: To test treatment regimens for Lyme arthritis. METHODS: Patients were randomly assigned to treatment with doxycycline or amoxicillin plus probenecid for 30 days. Patients who had persistent arthritis for at least 3 months after treatment with oral antibiotics or parenteral penicillin were given intravenous ceftriaxone for 2 weeks. RESULTS: Eighteen of the 20 patients treated with doxycycline and 16 of the 18 patients who completed the amoxicillin regimen had resolution of the arthritis within 1-3 months after study entry. However, neuroborreliosis later developed in 5 patients, 4 of whom had received the amoxicillin regimen. Of 16 patients (2 from the oral antibiotic study and 14 additional patients) who had persistent arthritis despite previous oral antibiotics or parenteral penicillin, none had resolution of the arthritis within 3 months after ceftriaxone therapy. The HLA-DR4 specificity and OspA reactivity were associated with a lack of response. CONCLUSION: Lyme arthritis can usually be treated successfully with oral antibiotics, but patients may still develop neuroborreliosis. Patients with certain genetic and immune markers may have persistent arthritis despite treatment with oral or intravenous antibiotics.

The reliability and validity of the 20-meter shuttle test in American students 12 to 15 years old.

The purpose of this study was threefold: to determine (a) the test-retest reliability of the 20-m shuttle test (20 MST) (number of laps), (b) the concurrent validity of the 20 MST (number of laps), and (c) the validity of the prediction equation for VO2max developed by Léger, Mercier, Gadoury, and Lambert (1988) on Canadian children for use with American children 12-15 years old. An intraclass coefficient of .93 was obtained on 20 students (12 males; R = .91 and 8 females; R = .87) who completed the test twice, 1 week apart (MT1 = 47.80 +/- 20.29 vs. MT2 = 50.55 +/- 22.39 laps; p > or = .13). VO2peak was obtained by a treadmill test to volitional fatigue on 48 subjects. The number of laps run correlated significantly with VO2peak in males (n = 22; r = .65; F [1, 20] = 14.30 p < or = .001), females (n = 26; r = .51; F [1, 24] = 8.34; p < or = .01), and males and females = (r = .69; F [1, 46] = 42.54, p < or = .001). When the measured VO2peak (M = 49.97 +/- 7.59 ml.kg-1.min-1) was compared with the estimated VO2max (M = 48.72 +/- 5.72 ml.kg-1.min-1) predicted from age and maximal speed of the 20 MST (Léger et al., 1988) no significant difference was found, t (47) = -1.631; p > or = .11, between the means; the r was .72 and SEE was 5.26 ml.kg-1.min-1.(ABSTRACT TRUNCATED AT 250 WORDS)

Chronic inflammatory arthritis after treatment with high-dose interleukin-2 for malignancy.

Interleukin-2 (IL-2) immunotherapy resulted in the development of inflammatory arthritis in three male patients with metastatic cancer. Two patients developed a clinical picture consistent with rheumatoid arthritis. A third patient with a remote history of Reiter's syndrome developed a recrudescence of an inflammatory arthritis after treatment with IL-2. The clinical, laboratory, and histologic data on the patients and the potential pathophysiologic mechanisms are discussed.

Body composition and sexual maturation in premenarcheal athletes and nonathletes.

The purpose of this study was to compare premenarcheal athletes (A) and nonathletes (NA) in terms of body composition and sexual maturation and to discern the relationship between these variables. Percent body fat (%BF) was determined by the three-component system of Siri utilizing body density from hydrostatic weighing and total body water measured by deuterium oxide dilution. Sexual maturation was self-assessed using the system described by Marshall and Tanner. ANOVAs and polynomial regression analysis revealed that both the A (N = 73) and NA (N = 53) showed similar values and linear increases (P less than 0.001) in height (HT), weight (WT), breast (B) and pubic hair (PH) development from 7 to 15 yr but not in %BF (XA = 15.7 +/- 4.6; XNA = 20.5 +/- 6.4 (P less than 0.001]. The NA exhibited a quadratic curve (P less than 0.01) in %BF over age, while the A showed a negative linear relationship (P less than 0.001) with age. Scheffe post hoc tests revealed significant differences (P less than 0.03, A less than NA) at 11 and 12-15 yr. When %BF was compared to maturation, the A were found to have less fat (P less than 0.01) at stages 1 and 4 of PH and at stages 2, 3, and 4 of B. There were no significant differences between A and NA in the age at which B2, 3, or 4 or PH2, 3, or 4 occurred. Both groups exhibited similar and significant correlations between age, HT, WT, B, and PH development but not %BF.(ABSTRACT TRUNCATED AT 250 WORDS)

Somatotypes of premenarcheal athletes and non-athletes.

One-hundred thirty-four premenarcheal girls between the ages of 7 and 15 years were somatotyped according to the Health-Carter technique. Sexual maturation was determined by self-assessed Tanner stages. Statistical analysis was completed on 50 athletes (representing seven sports) and 29 non-athletes over the age of 10 years. The mean somatotype for the athletes was calculated to be 2.4-3.6-3.9 and for the non-athletes 3.7-3.7-3.6. Single component ANOVA's revealed that the athletes were significantly less endomorphic (p less than 0.01) than the non-athletes. The overall somatotype ratings and the equality of dispersion about the means were significantly different between the athletes and non-athletes. The single highest category for the athletes was mesomorph-ectomorph and for the non-athletes, mesomorphic-endomorph. Significant negative correlations were obtained between mesomorphy and breast development (-0.33, p less than 0.05) and mesomorphy and pubic hair development (-0.44, p less than 0.01) for the athletes. Significant positive correlations were obtained between endomorphy and breast development (0.55, p less than 0.01) and endomorphy and pubic hair development (0.45, p less than 0.05) for the non-athletes. The mean somatotype for the gymnasts was 2.1-3.9-3.6 and for the swimmers 2.5-3.4-4.1. These two groups were significantly different from each other on each separate component and overall somatotype, but not in equality of dispersion. The results support the conclusion that premenarcheal athletes are morphologically different from non-athletes despite their youth and from each other based on sport specificity.