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In this paper, numerical demonstrations of a modified compressible Euler system are shown, where the bubble function element stabilization method together with adaptive mesh refinement is introduced for increasing numerical stability and numerical accuracy. For a test case, NACA0012 is selected as a domain of interest, and numerical results using finite elements of P1­P1b­P1 and P2­P2b­P2 for density­velocity­pressure were compared at AOA=1.25 and Mach number 0.8. As a result, the shock wave is not found on the upper­end and the lower­ end of NACA0012 in the former, and on the other hand the latter is adequate numerical result and relative errors of Cl, Cd with previous study are 1.197% and 0.15376%. The mathematical model is much simpler than the compressible Euler equation, because they are advection equations for a density, a velocity, and a pressure with each external forces. Therefore, the material derivative is considered for time stepping, and the characteristic curve method can be used for decreasing calculation cost.

We propose a combined use of a Pockels electro-optic sensor with a pickup loop coil (Bdot probe) for the measurement of magnetic fluctuations in plasmas. In this method, induced fluctuating voltage on the coil loop is converted into an optical signal by a compact electro-optic sensor in the vicinity of the measurement point and is transferred across optical fiber that is unaffected by electric noise or capacitive load issues. Compared with conventional Bdot probes, the electro-optic Bdot probe (1) is electrically isolated and free from noise pickup caused by the metallic transmission line and (2) can be operated at a higher-frequency range because of the smaller capacitance of the operation circuit, both of which are suitable for many plasma experiments. Conversely, the sensitivity of the current electro-optic Bdot probe arrangement is still significantly lower than that of conventional Bdot probes. A preliminary measurement result with the electro-optic Bdot probe showed the detection of a magnetic fluctuation signal around the cyclotron frequency range in the RT-1 magnetospheric plasma experiment.

While it is known that the degenerated intervertebral disc (IVD) is one of the primary reasons for low-back pain and subsequent need for medical care, there are currently no established effective methods for direct treatment. Nuclear factor-κB (NF-κB) is a transcription factor that regulates various genes’ expression, among which are inflammatory cytokines, in many tissues including the IVD. NF-κB decoy is an oligodeoxynucleotide containing the NF-κB binding site that entraps NF-κB subunits, resulting in suppression of NF-κB activity. In the present preclinical study, NF-κB decoy was injected into degenerated IVDs using the rabbit anular-puncture model. In terms of distribution, NF-κB decoy persisted in the IVDs up to at least 4 weeks after injection. The remaining amount of NF-κB decoy indicated that it fit a double-exponential-decay equation. Investigation of puncture-caused degeneration of IVDs showed that NF-κB decoy injection recovered, dose-dependently, the reduced disc height that was associated with reparative cell cloning and morphological changes, as assessed through histology. Gene expression, by quantitative real-time polymerase chain reaction (qRT-PCR), showed that NF-κB decoy attenuated inflammatory gene expression, such as that of interleukin-1 and tumor necrosis factor-α, in rabbit degenerated IVDs. NF-κB decoy also reduced the pain response as seen using the “pain sensor” nude rat xenograft-radiculopathy model. This is the first report demonstrating that NF-κB decoy suppresses the inflammatory response in degenerated IVDs and restores IVD disc height loss. Therefore, the intradiscal injection of NF-κB decoy may have the potential as an effective therapeutic strategy for discogenic pain associated with degenerated IVDs.

BackgroundPrimary Sjögren’s syndrome (pSS) is a chronic, systemic autoimmune disease typically affecting the salivary and lacrimal glands and producing symptoms of dry mouth, dry eyes, fatigue and pain. Hydroxychloroquine (HCQ) have been shown to have various immunomodulatory and immunosuppressive effects, and currently have established roles in the management of rheumatoid arthritis and systemic lupus erythematosus (SLE). However, the use of HCQ in pSS is based in expert recommendations and in few studies with a low level of evidence. There are very few publications assessing HCQ use in a double-blind, randomized, and placebo-controlled studies. In Japan, HCQ is indicated for patients with SLE and cutaneous lupus erythematosus (CLE) and is off-label use for pSS patients without CLE. Recently, ESSPRI and ESSDAI have been developed by the European League Against Rheumatism (EULAR) SS study group as standardized outcome tools for measuring patients’ reported symptoms and disease-specific activity. ESSDAI and ESSPRI have been proven to be valid and reliable, they have been used to select patients or as the primary or secondary outcome measures in clinical trials.ObjectivesThe aim of this study was to examine the efficacy of HCQ in pSS at 8 and 52 weeks after treatment evaluated by ESSPRI and ESSDAI.MethodsTwenty-six pSS patients (26 female, mean age 51.6 ± 13.6 years) with CLE who fulfilled the ACR/EULAR classification criteria for SS and/or the Japanese Ministry of Health and Welfare criteria for SS were studied. The clinical indexes were evaluated by ESSDAI, ESSPRI, IgG and CH50 before and after HCQ treatment at 8 and 52weeks. ESSPRI components were calculated individually and as a single factor composed of the mean of the three components (pain, fatigue, and dryness: VAS 0-10). ESSDAI (0–123) proposes the evaluation of 12 domains or organ systems (constitutional, lymphadenopathy, glandular, articular, cutaneous, pulmonary, renal, peripheral nervous system, central nervous system, muscular, hematological and biology).ResultsESSPRI and component of fatigue and pain were significantly lower at 8 and 52 weeks after treatment than HCQ pre-treatment (ESSPRI: 4.14±1.45 vs 3.38±1.57, 3.34±1.56, p=0.005, p=0.045, fatigue: 4.68±2.12 vs 3.68±1.96, 3.58±1.87, p=0.010, p=0.036, pain: 3.32±1.94 vs 2.09±1.60, 1.79±1.51, p=0.0043, p=0.0014). However, there was no significant difference in dryness component between HCQ pre-treatment and 8 and 52 weeks after treatment (4.41 ± 2.09 vs 4.32 ± 2.06, 4.21 ± 2.39, p = 0.71, p = 0.94), and the amount of saliva produced by the gum test also showed no significant difference between pre-HCQ treatment and 52 weeks after treatment (8.21 ± 6.72 vs 8.24 ± 6.79 mL / 10 minutes, p = 0.45). There was also a significant decrease in ESSDAI and constitutional, articular, cutaneous and biological domain at 52 weeks after treatment compared to HCQ pre-treatment (ESSDAI: 9.68±6.14 vs 4.74±6.43, p=0.0004; constitutional: 1.41±1.50 vs 0.63±1.26, p=0.034, articular: 1.00±1.02 vs 0.21±0.63, p=0.0027, cutaneous: 2.86±3.27 vs 1.11±2.49, p=0.010, biological: 1.14±0.83 vs 0.79±0.86, p=0.014). An improvement of at least 1 point or 15% in ESSPRI and at least 3 points in ESSDAI compared to HCQ pr-treatment were observed in 63.6% and 31.8% at 8 weeks and 73.7% and 68.4% at 52 weeks after treatment. In addition, IgG was significantly decreased at 52 weeks after treatment compared to HCQ pre-treatment (1934 ± 613 vs 1714 ± 564 mg / dL, p=0.0005).ConclusionHCQ treatment improved pain such as arthritis, fatigue, constitutional and cutaneous manifestations, but was not effective for salivary function and dryness. HCQ treatment was useful in improving ESSPRI and ESSDAI, and long-term treatment increased the number of effective cases from 8 weeks to 52 weeks.Disclosure of InterestsNone declared

Studies on community-acquired pneumonia (CAP) and pneumococcal pneumonia (PP) related to the 13-valent pneumococcal conjugate vaccine (PCV13) introduction in Asia are scarce. This study aimed to investigate the epidemiological and microbiological determinants of hospitalised CAP and PP after PCV13 was introduced in Japan. This observational hospital-based surveillance study included children aged ⩽15 years, admitted to hospitals in and around Chiba City, Japan. Participants had bacterial pneumonia based on a positive blood or sputum culture for bacterial pathogens. Serotype and antibiotic-susceptibility testing of Streptococcus pneumoniae and Haemophilus influenzae isolates from patients with bacterial pneumonia were assessed. The CAP hospitalisation rate per 1000 child-years was 17.7, 14.3 and 9.7 in children aged H. influenzae. The incidence of hospitalised CAP in children aged ⩽15 years was significantly reduced after the introduction of PCV13 in Japan. Continuous surveillance is necessary to detect emerging PP serotypes.

The effect of adding ethylammonium nitrate (EAN), which is an ionic liquid (IL), on the aggregate formation of α-synuclein (α-Syn) in aqueous solution has been investigated. FTIR and Raman spectroscopy were used to investigate changes in the secondary structure of α-Syn and in the states of water molecules and EAN. The results presented here show that the addition of EAN to α-Syn causes the formation of an intermolecular β-sheet structure in the following manner: native disordered state → polyproline II (PPII)-helix → intermolecular β-sheet (α-Syn amyloid-like aggregates: α-SynA). Although cations and anions of EAN play roles in masking the charged side chains and PPII-helix-forming ability involved in the formation of α-SynA, water molecules are not directly related to its formation. We conclude that EAN-induced α-Syn amyloid-like aggregates form at hydrophobic associations in the middle of the molecules after masking the charged side chains at the N- and C-terminals of α-Syn.

Density functional theory calculations are performed on all possible structures of Fe2O2 using the hybrid B3LYP functional and the B3LYP functional combined with the broken-symmetry (BS) approach to obtain the most stable isomers. Based on the obtained stable isomers, the reaction mechanism of Fe2 + O2 toward rhombic Fe2(μ-O)2 is considered. The BS-singlet state of the rhombic Fe2(μ-O)2 2.1 is found to be the ground state of all Fe2O2 isomers. The 9A″ state of the open-cycle (η1-O)Fe2(µ-O) 2.11 and 3A state of the near-linear OFeOFe 1.4 are found to have the second and third lowest energy states, which are higher than the ground state 2.1 by 109.7 and 120.0 kJ mol−1, respectively. The lowest-lying energy states of the bare Fe2O2 clusters do not favor three-dimensional structures, but favor the linear and planar structures. Numerous electronic states are found for the symmetric optimized rhombic 2.1. The energy ordering of the BS-singlet ground state and the four lowest-lying states (9Ag, BS-septet, BS-triplet, and BS-quintet) at the B3LYP and BS-B3LYP levels agrees with the energy ordering obtained at the CCSD(T) level. The characteristic frequencies calculated for the stable isomers are similar to the previous theoretical and experimental studies. The singlet and nonet energy surfaces calculated for the reaction of Fe2 + O2 toward rhombic Fe2(μ-O)2 suggest that the reaction adiabatically proceeds with spin inversion from the nonet to singlet state and is expected to be fast because the reaction takes place with a very low barrier relative to that of the reactants (or without any activation energy). The NBO analyses show that the Fe O bonds in the intermediates and final product exhibit both ionic and covalent characteristics and have highly polarities because of large charge transfer from Fe to O.

The Observing System Research and Predictability Experiment (THORPEX) was a 10-yr, international research program organized by the World Meteorological Organization’s World Weather Research Program. THORPEX was motivated by the need to accelerate the rate of improvement in the accuracy of 1-day to 2-week forecasts of high-impact weather for the benefit of society, the economy, and the environment. THORPEX, which took place from 2005 to 2014, was the first major international program focusing on the advancement of global numerical weather prediction systems since the Global Atmospheric Research Program, which took place almost 40 years earlier, from 1967 through 1982. The scientific achievements of THORPEX were accomplished through bringing together scientists from operational centers, research laboratories, and the academic community to collaborate on research that would ultimately advance operational predictive skill. THORPEX included an unprecedented effort to make operational products readily accessible to the broader academic research community, with community efforts focused on problems where challenging science intersected with the potential to accelerate improvements in predictive skill. THORPEX also collaborated with other major programs to identify research areas of mutual interest, such as topics at the intersection of weather and climate. THORPEX research has 1) increased our knowledge of the global-to-regional influences on the initiation, evolution, and predictability of high-impact weather; 2) provided insight into how predictive skill depends on observing strategies and observing systems; 3) improved data assimilation and ensemble forecast systems; 4) advanced knowledge of high-impact weather associated with tropical and polar circulations and their interactions with midlatitude flows; and 5) expanded society’s use of weather information through applied and social science research.

Silk fibroin (SF) possesses several characteristics that are favorable for tissue engineering. However, the mechanical properties must be modified in some cases. For instance, soft tissues such as those of the circulatory system are more elastic than tissue-engineered materials. The development of polymer blends is a simple method with the potential to provide materials with extended useful properties. In this study, we developed a non-woven SF and thermoplastic polyurethane-blend sheet from a polymer solution. The structure and miscibility of the blend sheet was evaluated using solid-state nuclear magnetic resonance (NMR) methods. In the 13C cross-polarization and magic angle spinning NMR spectra, no peak shift was observed between the pure and blended samples. The miscibility of the sample was investigated using proton spin-lattice relaxation times in the laboratory frame (T1H). The T1H measurement clearly revealed that the molecular chains of SF and Pellethane exist in close proximity of several tens of nanometers. The development of polymer blends is a simple method with the potential to provide materials with extended useful properties. Here, the SF and Pellethane were observed to be highly miscible with each other even though SF maintained the strong β-sheet crystal structure. This result suggests that SF/Pellethane-blended sheets possess strength that is derived from SF and elasticity that is derived from Pellethane. Therefore, this blended sheet should be a good medical material for soft tissue engineering.

Background:Primary Sjögren’s syndrome (pSS) is a chronic inflammatory autoimmune disease characterized by lymphocyte infiltration in salivary and lacrimal glands. pSS affects primarily middle-aged and elderly patients, although younger age groups may also be involved. However, differences of etiology and pathogenesis between early-onset pSS (EOpSS) and late-onset pSS (LOpSS) are unknown. Recently, standardized outcome tools for measuring disease-specific activity and patients’ reported symptoms have been formulated by the European League Against Rheumatism (EULAR) SS study group: the EULAR SS Disease Activity Index (ESSDAI) for systemic features of pSS [1]. Also, as the new imaging techniques, salivary gland ultrasonography (SGUS) proved valuable for assessing salivary gland involvement in SS and seemed to exhibit good diagnostic properties. In addition, previous studies have demonstrated usefulness of SGUS for the prognostic stratification of patients with pSS [2], [3], [4].Objectives:The aim of this study was to examine the differences of etiology and pathogenesis between EOpSS and LOpSS using ESSDAI and SGUS.Methods:Fifty-six pSS patients who fulfilled the American College of Rheumatology (ACR) / European League Against Rheumatism (EULAR) classification criteria for SS were studied. Based on the disease onset age, all pSS patients were divided into two groups as those with the onset age of 40 years old or younger (EOpSS: n=26) and those with the onset age of older than 65 years old (LOpSS: n=30). The clinical findings were evaluated ESSDAI and OMERACT SGUS score at the first visit to our hospital. The ESSDAI (0–123) proposes the evaluation of 12 domains or organ systems (constitutional, lymphadenopathy, glandular, articular, cutaneous, pulmonary, renal, peripheral nervous system, central nervous system, muscular, hematological and biology). All patients were examined SGUS by a single investigator who was blinded to device (TUS-A300; Canon Medical Systems, Tokyo, Japan) with a linear transducer (7.5-10MHz). The OMERACT SGUS score was used for graded changes in the parenchymal homogeneity of salivary glands: grade 0, normal-appearing salivary gland parenchyma; grade 1, minimal change: mild inhomogeneity without hypo/anechoic areas; grade 2, moderate change: moderate inhomogeneity with focal hypo/anechoic areas; grade 3, severe change: diffuse inhomogeneity with hypo/anechoic areas occupying the entire gland surface [5].Results:The proportions of positive sera of RF, anti-SS-A and anti-SS-B antibodies were not different in the two groups, but the disease activities were higher in the EOpSS than in the LOpSS patients by measuring ESSDAI (7.30 vs 4.23, p=0.008), especially in constitutional domain (1.50 vs 0.60, p=0.03), articular domain (1.54 vs 0.40, p=0.0002) and biological domain (1.35 vs 0.90, p=0.04). No difference in salivary secretion was found between two groups (EOpSS: 8.02 vs LOpSS: 6.31 mL/10min.), but the OMERACT SGUS score was higher in LOpSS than in EOpSS patients (2.00 vs 2.70, p=0.0002).Conclusion:Although serological findings were not different, EOpSS patients had higher disease activity but less severe salivary gland degeneration than that in LOpSS patients, suggesting the pathogenesis of these two groups was different.References:[1]Seror R, et al. Ann Rheum Dis. 2010 Jun;69(6):1103-9.[2]Arthritis Care Res (Hoboken). 2014 Jul;66(7):1102-7.[3]Hammenfors DS, et al. Clin Exp Rheumatol. 2015 Jan-Feb;33(1):56-62.[4]Milic V, et al. PLoS One. 2019 Dec 31;14(12): e0226498.[5]Jousse-Joulin S, et al. Ann Rheum Dis. 2019 Jul;78(7):967-973.Disclosure of Interests:None declared

SETTING National hospital for tuberculosis (TB) and rheumatoid arthritis (RA) in Japan. OBJECTIVE To compare two interferon-γ release assays (IGRAs), QuantiFERON®-TB Gold In-Tube (QFT) and T-SPOT®.TB (T-SPOT), in RA patients for detecting latent tuberculous infection (LTBI). DESIGN QFT and T-SPOT were conducted concurrently in 230 prospectively enrolled RA patients. RESULTS There were no active TB patients. The percentage of QFT- and T-SPOT-positive patients was respectively 8.3% and 5.7%. In patients aged ⩾60 years, these proportions were respectively 12.3% and 7.2%. The percentage of QFT positivity and T-SPOT positivity at age

The reactions of Fe and FeO2 with O2 and the products of these reactions are investigated at the B3LYP/6-311+G(d) level. The reactions are considered in terms of the calculated potential energy surfaces, the interaction energies between reactant species, and the energies required to populate the higher electronic states such as the excited states of Fe(5F, 3F) and O2(1Σg+). It is found that the reactions of Fe with O2 are endothermic and that the direct formation of dioxide OFeO is due to an ionic interaction of Fe+ with O2−. Furthermore, the diabatic transitions from the covalent and ionic surfaces onto another ionic surface with energy barriers allow the Fe + O2 reaction to proceed toward the formation of dioxide OFeO. There are other paths corresponding to the vertical excitation from peroxide Fe(O2) to dioxide OFeO; these require excitation energies above 23, 34, and 48 kcal mol−1 in the low-lying triplet, quintet, and septet states, respectively. The OFeO + O2 reactions are found to endothermically produce the η2-(O2)FeO2 and η1-(O2)FeO2 complexes, and the low-lying states of complexes are found to be closely located in the energy range of 5.6 kcal mol−1. The conversion of the η2-complex to the η1-complex and vice versa is caused by low energy. The NBO analyses show that the large atomic charges of peroxide Fe(O2), superoxide FeOO, and the η2- and η1-complexes are caused by electron transfer between reactant species, whereas those of dioxide OFeO are dominated by the ionic character of the species.

Background Patients with CTD often complain of exertion dyspnea, due to lung diseases, heart diseases, musculoskeletal disorders and/or APAH. Although imaging and physiological tests could reveal pathophysiology, some of them remain unknown. Especially APAH is rarely diagnosed in WHO functional class I or II, because pulmonary vasculopathy (PV) cannot be detected until two-thirds of pulmonary blood vessels deteriorated, 1 with cardiac ultrasonography (UCG) or right heart catheterization (RHC) at rest. Pathophysiological considerations suggest that the haemodynamic/metabolic impairment in APAH may be observed during exercise before the disease becomes evident at rest. 2–3 We evaluated exertion dyspnea of unknown to find out early APAH with CPET. Objectives We performed CPET in patients who complained of exertion dyspnea and tried to detect early PV. Methods From June 13th in 2015 to October 28th in 2016, we performed CPET and evaluate their clinical state in 28 patients, 17–80 years 2 males/26 females, 5 mixed connective tissue disease (MCTD), 15 SSc, 3 SLE, 2 Sjogren9s syndrome, 3 dermatomyositis. They underwent UCG, pulmonary function testing (PFT), 6-minutes walk test, and nailfold capillaroscopy by Cutolo9s method. 4 Results Twenty cases presented decreased peak VO2. VE/VCO 2 ratio, which represent increased ventilation-perfusion mismatch, elevated in 12 cases. 8 cases, with decreased peak VO2 but normal VE/VCO 2, were regarded that muscle weakness mainly induced exertion dyspnea, and advised exercise. Twelve cases with decreased peak VO2 and elevated VE/VCO 2 were estimated to have APAH or/and interstitial lung disease (ILD). Seven of them underwent RHC and 1 case diagnosed as definite APAH, and another 1 case as post capillary PH. A 34 years MCTD woman without ILD showed an active capillaroscopic pattern, her peak VO2 decreased (13.9ml/kg/min.) and nadir VE/VCO 2 elevated (39). Although her mean PAP was normal, we suspected she had early PV and administered PDE5 inhibitor to her and her dyspnea had gone soon and CPET parameters improved. CPET was also useful for early detections of therapeutic gains in APAH. A SSc woman, diagnosed as APAH by RHC, was performed CPET only 9 days after administration of PDE5 inhibitor. Her peak VO2 elavated (13.3 to 15.4 ml/kg/min.) and nadir VE/VCO 2 decreased (43.4 to 38.9) promptly. Thirteen patients showed an early capillaroscopic pattern, 7 an active pattern and 3 a late pattern. Median values of minimum VE/VCO 2 ratio significantly differed (p Conclusions We performed CPET in every patient safely. Although more research is required, CPET may provide valuable information notably in APAH patients. References Hachulla E, et al. French PAH-SSc Network. PAH with SSc in patients with functional class? dyspnea; mild symptoms but severe outcome. Rheumatology 2010;49:940–4. Grunig E, et al. Non-invasive diagnosis of pulmonary hypertension: ESC/ERS Guidelines with Updated Commentary of the Cologne Consensus Conference 2011. Int J Cardiol 2011;154:53. Domitrescu C, et al. Developing PV in SSc, detected with non-invasive CPET. PLoS ONE 2010;5e14293. Cutolo M, et al. Nailfold videocapillaroscopy assessment of microvascular damage in SSc. J Rheumatol. 2000 Jan;27(1):155–60. Disclosure of Interest None declared

Background Systemic sclerosis (SSc) is an inflammatory autoimmune disease characterized by fibrosis and small vascular involvement in the skin, lungs, heart and gastrointestinal (GI) tract. The esophagus is the most frequently involved GI tract disorder. Although the small intestinal involvement such as malabsorption and pseudo-obstruction is less common, it has been related to morbidity and mortality of SSc patients. We previously reported a close correlation between the esophageal diameter and the small intestinal clearance (SIC) (EULAR 2011). We also suggested that anti-centromere antibodies (ACA) are an important factor of esophageal dilatation in SSc patients (EULAR 2010). However, changes of small intestinal involvement during long-term follow-up have not yet been defined. Objectives The aim of this study was to evaluate a correlation between the small intestinal involvement and clinical features in SSc patients during ten years follow-up. Methods Fifty-five patients with a definite diagnosis of SSc [52 female and 3male with mean age of 59.4 years (range 29–77 years)] were included in the study. Thirteen (23.6%) patients were classified as diffuse SSc and 42 (76.4%) as limited SSc. The SIC grade was classified according to barium meal reach at 30 min after intake; grade 1 (>2/3 of the whole small intestine), grade 2 (1/3∼2/3), grade 3 ( Results The mean durations of follow-up period were 9.5±0.6 years. The number of SSc patients in each SIC grade at the initial evaluation and the end of follow-up were as follows; grade 1: initial vs end; 23 vs 24, grade 2: 20 vs 9, grade 3: 10 vs 16, grade 4: 2 vs 6. The SIC change “progressive” was 40.0% of SSc patients. Positive correlation between the esophageal diameters and the SIC grade was observed in SSc patients at the initial evaluation (r=0.61 p Conclusions The present study demonstrated that the progression of small intestinal involvement was associated with esophageal dilatation at the initial evaluation during long-term follow-up of SSc patients. Our findings also suggested that ACA and skin thickening of the fingers were important factors of small intestinal involvement in SSc patients. The SIC may be a useful tool for the assessment of GI tract involvement in SSc patients during long-term follow-up. Disclosure of Interest None declared

The structural, bonding, and magnetic properties of clusters of Fen, Sin, and Fen–xSix (n = 2–6, x = 1–6) optimized at the B3LYP/LanL2DZ level with symmetry constraints are determined. The effects of the substitution of Si in Fen on the properties of Fen are identified and discussed. The cohesion of the Fe cluster is nonmonotonically increased by the successive Si substitutions. In the mixed Fe–Si clusters, the Fe–Fe bond lengths are not affected by the Si substitutions and are similar to those in Fe clusters as well as the Fe–Si bond lengths in mixed clusters. Most of the Si–Si bond lengths in mixed clusters are similar to those in Si clusters, while a few Si–Si bond lengths characterized by the hybridization with high s-character are smaller than or equal to that in Si2. Several distances between neighboring atoms at equator in the mixed clusters are found to be remarkably large, and there is the lack of bonding between them. The average magnetic moments of mixed clusters decrease nonmonotonically with the number of Si atoms, and approach those of Si clusters. There are large amount of spin on Fe atoms and small amount of spin on Si atoms in the mixed clusters. Most of the local atomic moments on Si atoms align antiferromagnetically with respect to those on Fe atoms. The properties of Fe clusters with Si substitutions result from the electron transfer from Fe to its surrounding Si atoms. The electron transfer is closely connected with the properties of Fe–Si alloys.

National hospital for tuberculosis (TB) and rheumatoid arthritis (RA) in Japan.To compare two interferon-γ release assays (IGRAs), QuantiFERONQFT and T-SPOT were conducted concurrently in 230 prospectively enrolled RA patients.There were no active TB patients. The percentage of QFT- and T-SPOT-positive patients was respectively 8.3% and 5.7%. In patients aged ⩾60 years, these proportions were respectively 12.3% and 7.2%. The percentage of QFT positivity and T-SPOT positivity at age60 years was respectively 2.2% and 3.3%. After multivariate logistic analysis for QFT positivity, age ⩾60 years and TB suspected based on chest X-ray were selected as independent factors, with adjusted odds ratios of respectively 4.73 and 3.25. No factors were selected for T-SPOT positivity.QFT had a higher positivity rate. In the light of the previous estimated rate of LTBI in Japan, both IGRAs underestimate LTBI, and neither IGRA has enough capability to detect LTBI.

Radially polarized intense terahertz (THz) radiation behind a thin foil irradiated by ultrahigh-contrast ultrashort relativistic laser pulse is recorded by a single-shot THz time-domain spectroscopy system. As the thickness of the target is reduced from 30 to 2 \textmu{}m, the duration of the THz emission increases from 5 to over 20 ps and the radiation energy increases dramatically, reaching $\ensuremath{\sim}10.5\phantom{\rule{0.16em}{0ex}}\mathrm{mJ}$ per pulse, corresponding to a laser-to-THz radiation energy conversion efficiency of $1.7%$. The efficient THz emission can be attributed to reflection (deceleration and acceleration) of the laser-driven hot electrons by the target-rear sheath electric field. The experimental results are consistent with that of a simple model as well as particle-in-cell simulation.

Radially polarized intense terahertz (THz) radiation is measured experimentally behind a thin foil irradiated by ultrashort relativistic intense laser pulse of ultrahigh contrast. As the target thickness is reduced from 30 to 2 μm, the energy of the THz emission increases dramatically, which even reaches up to 10.5 mJ per pulse, corresponding to energy conversion efficiency of 1.7%. This efficient THz emission is attributed to bremsstrahlung radiation of the energetic electrons rapidly refluxing between the target front and back electrostatic sheaths fields created during the laser-target interaction. Analytical modeling and particle-in-cell simulation confirms this interpretation.

We report a novel self-assembling system of amphiphilic oligopeptides composed of alternating hydrophobic and ionizable amino-acid residues. Three types of peptides, AD12, AE12 and AK12, were prepared as building blocks for this model system. These peptides formed helical conformations in low-concentration solutions, but these peptides adopted β-sheet structures and precipitated in highly concentrated solutions at a pH that neutralizes the charges on the ionizable side chains. In addition, the mixing of the peptides with positive and negative charges on the side chains of the ionizable amino-acid residues was found to trigger the formation of the β-sheet structure. This system could be used to create new materials based on oligopeptides. It was observed that the peptides resulted in β-sheet structure when the peptide solutions were mixed in combination of the side-chain charges being neutralized by each other. Additionally, formation speeds of the β-sheet structure were different between systems, AD12 and AK12 or AE12 and AK12. These phenomena were also observed under the higher concentration condition by 13C CP/MAS NMR. These results indicate that the mixing of the two kinds of peptide solutions will be a trigger for the peptide self-assembly and will be able to control the formation speed by the combination.

In this paper, we performed solid-state nuclear magnetic resonance (NMR) measurements, including T1H and T1ρ, of silk fibroin (SF)/polyurethane (PU) composites to examine their possible use as a material for artificial vascular grafts. In the development of new artificial vascular grafts made from SF/PU, it is important to examine the miscibility of the composites and their molecular dynamics, because these properties are intimately involved in the resulting physical properties of the resulting vascular graft. The T1H measurements showed that the domain size of the SF/PU=1:1 composite is smaller than the domain size of the 1:10 and 1:2 composites, indicating that the molecular miscibility between SF and PU are partially in close proximity, particularly in the SF/PU=1:1 composite. Additionally, we observed that the molecular motion of the soft segment of PU in the SF/PU composites becomes slow, suggesting that the soft segment of PU interacts with SF to some extent. These analyses provided basic structural information for the development of silk-based artificial vascular grafts using PU. In this study, we investigated the molecular structure of the composite material of silk fibroin and polyurethane as coating agent of vascular grafts by using solid-state nuclear magnetic resonance (NMR) techniques. To elucidate the structure and dynamics, 13C cross-polarization (CP)/magic angle spinning (MAS) NMR studies including NMR relaxation experiments were performed. These observations showed that there is a partial interacted portion between soft segment of PU and SF, in particular, the domain size of PU:SU=1:1 composite was smaller than that of the other composites. This study gave basic information on development of new silk-like materials for vascular grafts.

The structural, bonding, and magnetic properties of clusters of Fe n , Mo n , and Fe n – x Mo x ( n = 2–6, x = 1–6) optimized at the B3LYP/LanL2DZ level with symmetry constraints are determined. The effects of the substitution of Mo in Fe n on the properties of Fe n are identified and discussed. While the cohesion of the Fe cluster is affected only to a small extent by the Mo substitutions, the structure of the cluster changes remarkably. In the mixed Fe–Mo clusters, the Mo–Mo bonds are shorter than the Fe–Fe and Fe–Mo bonds. The smaller distances between adjacent Mo atoms result from the strong d-contribution to bonding. On the other hand, the larger distances between Fe atoms mostly result from the strong magnetic repulsion associated with ferromagnetic coupling. The local moments of the Mo atoms are aligned in antiferromagnetic order. The variations in structural and magnetic properties of Fe clusters due to the Mo distributions are considered to be closely associated with the mechanical and magnetic hardening of Fe–Mo alloys.

Temperature-dependent curves of T1H for the SBR with and without end-chain modification in the SBR/Si composites showed the increment of the T1H values as the MAS rate increases and the considerable change at the fast MAS rate of 25 kHz. The increase of T1H values is represented by the factor f that decides the observed T1H minimum value. The plot of centrifugal pressure caused by MAS as a function of 1/f exhibited the similar trend to that of the stress–strain curve. The differences in the T1H between the end-chain-modified and normal SBR under fast MAS was attributed to the Payne effect.

The authors have developed a new approach for large-scale systems including over 100,000 atoms to obtain physical strength from the viewpoint of atom–atom bonding energy. Combining the semi-empirical molecular orbital method with real space division method makes it possible to estimate structural parameters, electronic structures and bonding energy for various large systems. With this method, various quantum physical properties can be obtained quickly using the semi-empirical molecular orbital method, while adopting real space division improves the computational efficiency of parallelization. In this study, the authors applied this method to SiH 4 molecule and crystalline silica system, and carried out bond order and bonding energy analyses. In this analysis, the developed method offered almost the same analytical accuracy as the first principle method, while its calculation speed was much faster than that of the latter. The developed method was also suitable for parallel computing.