Local disorder investigation in NiS2-xSex using Raman and Ni K-edge x-ray absorption spectroscopies

We report on Raman and Ni K-edge x-ray absorption investigations of a NiS2-xSex (with x = 0.00, 0.50/0.55, 0.60, and 1.20) pyrite family. The Ni K-edge absorption edge shows a systematic shift going from an insulating phase (x = 0.00 and 0.50) to a metallic phase (x = 0.60 and 1.20). The near-edge absorption features show a clear evolution with Se doping. The extended x-ray absorption fine structure data reveal the evolution of the local structure with Se doping which mainly governs the local disorder. We also describe the decomposition of the NiS2-xSex Raman spectra and investigate the weights of various phonon modes using Gaussian and Lorentzian profiles. The effectiveness of the fitting models in describing the data is evaluated by means of Bayes factor estimation. The Raman analysis clearly demonstrates the disorder effects due to Se alloying in describing the phonon spectra of NiS2-xSex pyrites.

I. Efforts toward the synthesis of aliphatic iodonium salts. II. Flourine-19 nuclear magnetic resonance spectroscopy of cyclic and bicyclic systems

The synthesis of iodonium salts of the general formula [Cb>6b>Hb>5b>IR]⁺X^-, where R is an alkyl group and x- is a stabilizing anion, was attempted. For the choice of R three groups were selected, whose derivatives are known to be sluggish in Sb>Nb>1 and Sb>Nb>2 substitutions: cyclopropyl, 7, 7 -dimethyl-1-norbornyl, and 9 -triptycyl. The synthetic routes followed along classical lines which have been exploited in recent years by Beringer and students. Ultimately, the object of the present study was to study the reactions of the above salts with nucleophiles. In none of the three cases, however, was it possible to isolate a stable salt. A thermodynamic argument suggests that this must be due to kinetic instability rather than thermodynamic instability. Only iodocyclopropane and 1-iodoapocamphane formed isolable iododichlorides.

Several methylated 2, 2-difluoronorbornanes were prepared with the intent of correlating fluorine -19 chemical shifts with geometric features in a rigid system. The effect of a methyl group on the shielding of a β -fluorine is dependent upon the dihedral angle; the maximum effect (an upfield shift of the resonance) occurs at 0° and 180°, whereas almost no effect is felt at a dihedral angle of 120°. The effect of a methyl group on a γ -fluorine is to strongly shift the resonance downfield when fluorine and methyl group are in a 1, 3 - diaxial-like relationship. Molecular orbital calculations of fluorine shielding in a variety of molecules were carried out using the formalism developed by Pople; the results are, at best, in modest agreement with experiment.

Influence of N doping on the Rashba coefficient, semiconductor-metal transition, and electron effective mass in InSb1-xNx nanowires: Ten-band k center dot p model

The electronic structures of InSb1-xNx nanowires are investigated using the ten-band k center dot p method. It is found that nitrogen increases the Rashba coefficient of the nanowires dramatically. For thick nanowires, the Rashba coefficient may increase by more than 20 times. The semiconductor-metal transition occurs more easily in InSb1-xNx nanowires than in InSb nanowires. The electronic structure of InSb1-xNx nanowires is very different from that of the bulk material. For fixed x the bulk material is a semimetal, while the nanowires are metal-like. In InSb1-xNx bulk material and thick nanowires, an interesting decrease of electron effective mass is observed near k=0 which is induced by the nitrogen, but this phenomenon disappears in thin nanowires.

Origin and elimination of spurious solutions of the eight-band k center dot p theory

The origin of spurious solutions in the eight-band envelope function model is examined and it is shown that spurious solutions arise from the additional spurious degeneracies caused by the unphysical bowing of the conduction bands calculated within the eight-band k center dot p model. We propose two approaches to eliminate these spurious solutions. Using the first approach, the wave vector cutoff method, we demonstrate the origin and elimination of spurious solutions in a transparent way without modifying the original Hamiltonian. Through the second approach, we introduce some freedom in modifying the Hamiltonian. The comparison between the results from the various modified Hamiltonians suggests that the wave vector cutoff method can give accurate enough description to the final results.

模拟增温与UV-B 辐射增强对云杉种子萌发和幼苗生长的影响

臭氧层损耗导致的地球表面UV-B���射增强以及温室气体增多引起的气候变暖是当今两大全球环境问题。UV-B���射增强和气候变暖对陆地植物和生态系统产生深远影响，并已成为全球变化研究的重要议题。作为世界第三极的青藏高原，UV-B 辐射增强以及气候变暖现象尤为突出。本试验所在林区是青藏高原东缘的主要林区，具有大面积的亚高山人工针叶成熟林，在全球变化背景下该森林的天然更新潜力如何是急待回答的重要问题。基于此，本研究围绕森林树种的种子和幼苗这一更新的重要阶段，开展了气候变暖、UV-B���射增强和联合胁迫对云杉种子萌发及幼苗定居影响的研究，旨在全球变化背景下，探讨全球变暖、UV-B 辐射增强和联合胁迫是否对西南地区大面积人工亚高山针叶林更新的种子萌发和幼苗定居阶段产生影响。 本文以青藏高原东缘亚高山针叶林主要树种云杉为研究对象，研究云杉种子萌发及幼苗的生长和生理对UV-B���射增强与气候变暖的响应。采用UV-B���光灯（UV-lamp）来模拟增强的UV-B 辐射，此外，采用开顶式有机玻璃罩（OTCs）来模拟气候变暖。本试验包括四个处理：（1）大气UV-B 辐射+大气温度（C）；（2）大气UV-B 辐射+模拟气候变暖（W）；（3）增强的UV-B���射+大气温度（U）；（4）增强的UV-B���射+模拟气候变暖（U+W）。 根据本试验结果，UV-B���射增强对云杉种子萌发没有显著影响，它对萌发云杉幼苗的影响主要体现在幼叶展开以后。根据两年的试验结果，增强的UV-B���射降低了云杉幼苗抗氧化酶活性，降低了抗氧化物质的含量，此外，造成了膜质的过氧化，表现为MDA在针叶中的积累。增强的UV-B���射处理萌发云杉幼苗两年后，幼苗的生长受到显著抑制。我们的结果显示，OTCs分别提高了空气（10 cm）和土壤（5 cm）温度1.74℃和0.94 ℃。增温显著地促进了云杉种子提前萌发，提高了萌发速率和萌发比率，而且，明显地促进了幼苗的生长，表现为株高和生物量累积的显著增长。此外增温还有利于云杉幼苗根的伸长生长以及生物量的累积，这可以使云杉幼苗更好地利用土壤中的水分和营养元素。 根据本试验结果，温度升高显著地促进了增强UV-B���射下云杉萌发幼苗的生长，这说明，温度升高缓解了UV-B���射增强对云杉萌发幼苗的负面影响。这种缓解作用可能是温度升高对UV-B���射增强处理下幼苗的抗氧化系统活性改善的结果。温度升高还缓解了高UV-B���射对云杉幼苗根生长的抑制作用，这也可能是增温缓解伤害的原因之一。此外，根据我们的试验结果，增温与UV-B���射增强联合作用（U+W）下云杉萌发幼苗的生长状况好于大气温度与大气UV-B���射联合（C）处理，表现为株高、地径、根长和生物量积累均高于C处理，因此可以推断，UV-B���射增强与气候变暖同时存在对萌发幼苗在两年之内的生长没有产生抑制作用，也就是说，气候变暖的缓解作用完全弥补了UV-B���射增强的有害作用。 同样，增强的UV-B���射显著影响了云杉幼苗的光合作用，表现为净光合速率（Pn）和表观量子效率（Φ）的提高，此外，根据我们的试验结果，它还造成了PSII的光抑制。增强的UV-B���射显著抑制了云杉幼苗对营养元素的吸收，表现为大量营养元素、碳、钙、镁和锌含量的降低，但是，它却显著促进了铁在植株体内的积累。增温显著地提高了净光合速率，但是，它对光系统II（PSII）的光化学效率影响不大。温度升高缓解了UV-B���强对云杉幼苗光合作用的伤害，表现为净光合速率、表观量子效率以及PSII光化学效率的提高。此外，温度升高还缓解了UV-B���射增强对离子吸收的抑制作用。 Enhanced UV-B radiation due to the reduction of O3 layer and global warming induced by increased greenhouse gases in the air have become the two pressing aspects of global climate changes. Moreover, enhanced UV-B radiation and warming have profound and long-term impacts on terrestrial plants and ecosystems, and the studies focusing on the two factors have attracted many attentions. Qinghai-Tibetan Plateau is the third in elevation in the world, and enhanced UV-B radiation and climate warming are especially prominent in this region. Our research located in the main forest belt in the eastern Qinghai-Tibetan Plateau where large areas of subalpine coniferous forests distributed. Based on that, we carried out a research to study the effects of enhanced UV-B radiation and climate warming on seed germination and seedlings growth of seedlings which are the important basic stage in forest regeneration. This research was arranged by a complete factorial design and included two factors (UV-B radiation and temperature) with two levels. The UV-lamps were used to manipulate the supplemental UV-B radiation and open-top chambers (OTCs) were adopted to increase temperature. The four treatments were: (1) C, ambient UV-B without warming; (2) U, enhanced UV-B without warming; (3) W, ambient UV-B with OTCs warming; (4) U+W, enhanced UV-B with OTCs warming. The main results were exhibited as follows: 1. Based on our results in this research, OTCs increased temperature on average 1.74℃ in air (10 cm above ground) and 0.92 ℃ in soil (5 cm beneath ground). Furthermore, OTCs also slightly reduced soil moisture and relative air humidity, however, the differences was not statistically significant. 2. Our results showed that enhanced UV-B had no significant effects on the seeds germination of P. asperata. Enhanced UV-B affected sprouts of P. asperata until the needles unfolded. During two years, enhanced UV-B inhibited the efficiency of the antioxidant defense systems, and as a result, it induced oxidant stress and the accumulation of MDA in needles. After two years of exposure to enhanced UV-B, the growth of P. asperata sprouts was markedly restrained compared with those under ambient UV-B radiation and temperature (C). Warming significantly stimulated the germination speed and increased the germination rate of P. asperata seeds. In the next place, it prominently facilitated the growth of P. asperata sprouts, represented as improvements in stem elongation and biomass accumulation. Furthermore, warming also increased root growth of P. asperata sprouts, which could made sprouts more efficient to use water and nutrient elements in soil. In this research, warming alleviated the deleterious effects of enhanced UV-B on P. asperata sprouts. It markedly stimulated the growth of P. asperata sprouts exposed to enhanced UV-B. The ease effects of warming on the abilities of the antioxidant defense systems might account for its amending effects on growth. After two years of exposure to enhanced UV-B radiation and warming, the growth of P. asperata sprouts was better than those under ambient UV-B radiation without warming (C), which could be seen from the higher plant height, basal diameter, root length and total biomass accumulation compared with C. 3. Enhanced UV-B radiation significantly influenced the photosynthesis processes of two-year old P. asperata seedlings. Our results showed that enhanced UV-B reduced the net photosynthetic rate (Pn) and the apparent quantum efficiency (Φ), and induced photoinhibition of photosynthetic system II (PSII). Enhanced UV-B significantly decreased the concentration of nitrogen (N), phosphorous (P), potassium (K), calcium (Ca), magnesium (Mg) and zinc (Zn), however, it increased the accumulation of iron (Fe) in the whole plant of P. asperata seedlings. Warming significantly stimulated Pn of P. asperata seedlings but it had no prominent impacts on the photochemical efficiency of PSII. In our research, warming also alleviated the harmful effects of enhanced UV-B on photosynthesis and absorption of ions of P. asperata seedlings. It increased Pn, Φ and the photochemical efficiency of PSII in seedlings exposed to enhanced UV-B. Moreover, warming also increased the absorption of ions of the seedlings exposed to enhanced UV-B radiation.

Maximal L p -regularity for the Laplacian on Lipschitz domains

I.Wood: Maximal Lp-regularity for the Laplacian on Lipschitz domains, Math. Z., 255, 4 (2007), 855-875.

Indication of electron neutrino appearance from an accelerator-produced off-axis muon neutrino beam.

The T2K experiment observes indications of ν(μ) → ν(e) appearance in data accumulated with 1.43×10(20) protons on target. Six events pass all selection criteria at the far detector. In a three-flavor neutrino oscillation scenario with |Δm(23)(2)| = 2.4×10(-3)  eV(2), sin(2)2θ(23) = 1 and sin(2)2θ(13) = 0, the expected number of such events is 1.5±0.3(syst). Under this hypothesis, the probability to observe six or more candidate events is 7×10(-3), equivalent to 2.5σ significance. At 90% C.L., the data are consistent with 0.03(0.04) < sin(2)2θ(13) < 0.28(0.34) for δ(CP) = 0 and a normal (inverted) hierarchy.

Biomonitoring of air pollutants by using lichens (Evernia prunastri) in areas between Kenitra and Mohammedia cities in Morocco.

In this study, Evernia prunastri, a lichen growing in its natural habitat in Morocco was analysed for the concentration of five heavy metals (Fe, Pb, Zn, Cu and Cr) from eleven sites between Kenitra and Mohammedia cities. The control site was Dar Essalam, an isolated area with low traffic density and dense vegetation. In the investigated areas, the concentration of heavy metals was correlated with vehicular traffic, industrial activity and urbanization. The total metal concentration was highest in Sidi Yahya, followed by Mohammedia and Bouznika. The coefficient of variation was higher for Pb and lower for Cu, Zn and Fe. The concentrations of most heavy metals in the thalli differed significantly between sites (p<0.01). Principal component analysis (PCA) revealed a significant correlation between heavy metal accumulation and atmospheric purity index. This study demonstrated also that the factors most strongly affecting the lichen flora were traffic density, the petroleum industry and paper factories in these areas. Overall, these results suggest that the index of atmospheric purity and assessment of heavy metals in lichen thalli are good indicators of the air quality at the studied sites.

A phase I study of the p-glycoprotein antagonist Tarquidar in combination with Vinorelbine.

P-glycoprotein (Pgp) antagonists have had unpredictable pharmacokinetic interactions requiring reductions of chemotherapy. We report a phase I study using tariquidar (XR9576), a potent Pgp antagonist, in combination with vinorelbine. EXPERIMENTAL DESIGN: Patients first received tariquidar alone to assess effects on the accumulation of (99m)Tc-sestamibi in tumor and normal organs and rhodamine efflux from CD56+ mononuclear cells. In the first cycle, vinorelbine pharmacokinetics was monitored after the day 1 and 8 doses without or with tariquidar. In subsequent cycles, vinorelbine was administered with tariquidar. Tariquidar pharmacokinetics was studied alone and with vinorelbine. RESULTS: Twenty-six patients were enrolled. Vinorelbine 20 mg/m(2) on day 1 and 8 was identified as the maximum tolerated dose (neutropenia). Nonhematologic grade 3/4 toxicities in 77 cycles included the following: abdominal pain (4 cycles), anorexia (2), constipation (2), fatigue (3), myalgia (2), pain (4) and dehydration, depression, diarrhea, ileus, nausea, and vomiting, (all once). A 150-mg dose of tariquidar: (1) reduced liver (99m)Tc-sestamibi clearance consistent with inhibition of liver Pgp; (2) increased (99m)Tc-sestamibi retention in a majority of tumor masses visible by (99m)Tc-sestamibi; and (3) blocked Pgp-mediated rhodamine efflux from CD56+ cells over the 48 hours examined. Tariquidar had no effects on vinorelbine pharmacokinetics. Vinorelbine had no effect on tariquidar pharmacokinetics. One patient with breast cancer had a minor response, and one with renal carcinoma had a partial remission. CONCLUSIONS: Tariquidar is a potent Pgp antagonist, without significant side effects and much less pharmacokinetic interaction than previous Pgp antagonists. Tariquidar offers the potential to increase drug exposure in drug-resistant cancers.