Herstellung des Arzneimittels Hexamethylmelamin mit deuteriertem Seitenstück

Treatment of N,N,N′,N′,N″-Pentamethyl-1,3,5-triazin-2,4,6-triamin with butyllithium and trideuteroiodomethane give N,N,N′,N′,N″-Pentamethyl-N″-(trideuteromethyl)-1,3,5-triazin-2,4,6-triamin, a deuterated analogue of the anticancer drug hexamethylmelamine, in high yield.     

Cu、N空位对Cu_3N的电子结构、电学和光学性能影响的第一性原理研究

本文采用基于密度泛函理论的第一性原理计算方法,研究了立方相Cu_3N晶体中含Cu、N空位体系的稳定性、电学、光学性能.研究结果表明含Cu空位和N空位体系的结构比较稳定,Cu空位和N空位降低了体系的导电性,但增加了体系的透射率;含Cu空位和N空位体系的禁带宽度均大于Cu_3N体系,说明实验中制备的Cu_3N有时表现为绝缘体的可能原因为体系中存在Cu空位或N空位.     

Airborne nitrogen input at four locations in the German State of Saxony-Anhalt--measurements using the 15N-based ITNI-system

The amount of atmospheric N deposition in Germany is actual rather uncertain. Estimates using standard methods indicate an N deposition of 30-35 kg N/ha x year. However, the results of long-term field experiments and newly by the ITNI (Integrated Total Nitrogen Input) system could prove a much higher N input of about 50-60 kg N/ha x year. The reason for this difference is that standard methods use wet-only or bulk collectors, which neglect gaseous and organic N deposition as well as direct N uptake by aerial plant parts. By contrast, the ITNI-system is able to measure the total atmospheric N input using the 15N isotope dilution method. The input of airborne N into a soil/ plant system leads to a dilution of the abundance of a previously applied 15N tracer over a defined time period. The atmospheric N deposition can be calculated from this dilution. To estimate the actual N input in Central Germany, ITNI measurements were carried out from autumn 1998 to autumn 2000 at four locations in the German state of Saxony-Anhalt. Atmospheric N depositions between 45 and 75 kg N/ha x year were determined depending on the location. These results closely match to N balances of long-term field experiments. Furthermore, a relationship was found between N deposition and the plant species used as well as plant development.     

Nitrogen solubility and induced defect complexes in epitaxial GaAs:N

Thermodynamic calculation suggests that the formation of bulk GaN pins N chemical potential mu(N)< or =mu(max)(N), resulting in low equilibrium N solubility [N] in bulk GaAs:N. In epitaxial growth, however, a fully relaxed GaN phase cannot form prior to the spontaneous formation of a N-rich layer on the surface. First-principles total-energy calculations show that in the epitaxial regime one can increase mu(max)(N) considerably from equilibrium mu(max)(N) without triggering the spontaneous formation of such a N-rich layer. This enhances [N] by 8 orders of magnitude to about 4% at T = 650 degrees C in agreement with experiments. The dominant defects at high N concentration are qualitatively different from those at low [N].     

Airborne Nitrogen Input at Four Locations in the German State of Saxony-Anhalt - Measurements using the 15N-Based ITNI-System

Abstract

The amount of atmospheric N deposition in Germany is actual rather uncertain. Estimates using standard methods indicate an N deposition of 30–35 kg N/ha × year. However, the results of long-term field experiments and newly by the ITNI (Integrated Total Nitrogen Input) system could prove a much higher N input of about 50–60 kg N/ha × year. The reason for this difference is that standard methods use wet-only or bulk collectors, which neglect gaseous and organic N deposition as well as direct N uptake by aerial plant parts. By contrast, the ITNI-system is able to measure the total atmospheric N input using the ¹⁵N isotope dilution method. The input of airborne N into a soil/plant system leads to a dilution of the abundance of a previously applied ¹⁵N tracer over a defined time period. The atmospheric N deposition can be calculated from this dilution.

To estimate the actual N input in Central Germany, ITNI measurements were carried out from autumn 1998 to autumn 2000 at four locations in the German state of Saxony-Anhalt. Atmospheric N depositions between 45 and 75 kg N/ha × year were determined depending on the location. These results closely match to N balances of longterm field experiments. Furthermore, a relationship was found between N deposition and the plant species used as well as plant development.     

Transfer of Symbiotically Fixed Nitrogen in an Alfalfa-Grass Mixture Studied Through Isotope Dilution in a Pot Experiment

Abstract

The nitrogen transfer between alfalfa and ryegrass was studied through isotope dilution at three different levels of N fertilization (20 mg N/pot, 200 mg N/pot, 400 mg N/pot) in a pot experiment using quartz sand as a substrate. An isogenic, nodulating, but non nitrogen fixing alfalfa line was used as a reference crop. Fixed N was transferred to the grass in the 20 mg N treatment and contributed markedly to the N nutrition of the grass (about 50% of the N in the plants). No transfer of fixed N could be detected in the higher fertilized treatments, although nitrogen fixation was only slightly inhibited by the presence of the fertilized mineral N. It is concluded that N transfer is strongly influenced by the N concentration in the substrate and transferred N contributes only slightly to the productivity of the legume/grass mixture under the given experimental conditions.     

Transfer of symbiotically fixed nitrogen in an alfalfa-grass mixture studied through isotope dilution in a pot experiment

The nitrogen transfer between alfalfa and ryegrass was studied through isotope dilution at three different levels of N fertilization (20 mg N/pot, 200 mg N/pot, 400 mg N/pot) in a pot experiment using quartz sand as a substrate. An isogenic, nodulating, but non nitrogen fixing alfalfa line was used as a reference crop. Fixed N was transferred to the grass in the 20 mg N treatment and contributed markedly to the N nutrition of the grass (about 50% of the N in the plants). No transfer of fixed N could be detected in the higher fertilized treatments, although nitrogen fixation was only slightly inhibited by the presence of the fertilized mineral N. It is concluded that N transfer is strongly influenced by the N concentration in the substrate and transferred N contributes only slightly to the productivity of the legume/grass mixture under the given experimental conditions.     

Graphene-Based Normal/Ferromagnetic/Normal Junction as a Polarizer

Scattering matrix formalism is employed to calculate the conductance in a graphene-based N/F/N/F/N junction in the ballistic regime. The manipulation of spin transport for any number of N/F junctions is investigated by both the electrode gate and magnetic barriers. Kronig-Penney model is applied to consider the effects of barriers on spin transport in graphene. By considering a sequence of N/F junctions we have proposed that N/F/N junction could act like a polarizer. In this way, unpolarized charge carriers while traversing through the consecutive N/F/N junctions turn into polarized charge carriers.     

Tree species of the Central Amazon and soil moisture alter stable isotope composition of nitrogen and oxygen in nitrous oxide evolved from soil

The use of stable isotopes of N and O in N2O has been proposed as a way to better constrain the global budget of atmospheric N2O and to better understand the relative contributions of the main microbial processes (nitrification and denitrification) responsible for N2O formation in soil. This study compared the isotopic composition of N2O emitted from soils under different tree species in the Brazilian Amazon. We also compared the effect of tree species with that of soil moisture, as we expected the latter to be the main factor regulating the proportion of nitrifier- and denitrifier-derived N2O and, consequently, isotopic signatures of N2O. Tree species significantly affected delta15N in nitrous oxide. However, there was no evidence that the observed variation in delta15N in N2O was determined by varying proportions of nitrifier- vs. denitrifier-derived N2O. We submit that the large variation in delta15N-N2O is the result of competition between denitrifying and immobilizing microorganisms for NO3(-). In addition to altering delta15N-N2O, tree species affected net rates of N2O emission from soil in laboratory incubations. These results suggest that tree species contribute to the large isotopic variation in N2O observed in a range tropical forest soils. We found that soil water affects both 15N and 18O in N2O, with wetter soils leading to more depleted N2O in both 15N and 18O. This is likely caused by a shift in biological processes for 15N and possible direct exchange of 18O between H2O and N2O.     

Surface Morphology Improvement of Non-Polar a-Plane Ga N Using a Low-Temperature GaN Insertion Layer

We demonstrate that a low-temperature Ga N insertion layer could significantly improve the surface morphology of non-polar a-plane Ga N.The two key factors in improving the surface morphology of non-polar a-plane Ga N are growth temperature and growth time of the Ga N insertion layer. The root-mean-square roughness of a-plane Ga N is reduced by 75% compared to the sample without the Ga N insertion layer. Meanwhile, the Ga N insertion layer is also beneficial for improving crystal quality. This work provides a simple and effective method to improve the surface morphology of non-polar a-plane Ga N.     

Metastability of free cobalt and iron clusters: a possible precursor to bulk ferromagnetism

Homonuclear cobalt and iron clusters Co(N) and Fe(N) measured in a cryogenic molecular beam exist in two states with distinct magnetic moments (μ), polarizabilities, and ionization potentials, indicating distinct valences. The μ is approximately quantized: μ(N)～2Nμ(B) in the ground states and μ(N)(*)～Nμ(B) in the excited states for Co; μ(N)～3Nμ(B) and μ(N)(*)～Nμ(B) for Fe. At a large size, the average μ of the two states converges to the bulk value with diminishing ionization potential differences. The experiments suggest localized ferromagnetism in the two states and that itinerant ferromagnetism emerges from their superposition.     

Four-Body Bound-States Systems in Relativistic Scalar Quantum Field Theory: Variational Basis-State Approach

The variational method within the Hamiltonian formalism of quantum field theory has been used in order to investigate the effect of virtual pairs for four-body scalar systems consisting of two particles and two antiparticles of the same mass. The scalar particles and antiparticles interact via a massive or massless mediating scalar field. The ground state energy solutions of Fock-space variational trial states (\(|N{\bar {N}}N{\bar {N}}{ \rangle }+|N{\bar {N}}N{\bar {N}}N{\bar {N}\rangle }\)) of the relativistic wave equations have been studied. We have compared these results with the previous work of four-body system (variational trial states of the form \(|N{ \bar {N}}N{\bar {N}}{\rangle }\)) and we have shown that the inclusion of virtual pairs has a noticeable effect at low coupling and at high coupling the energy of the system is changed by an important amount. In other words, the calculations show that the inclusion of virtual pairs augments the binding energy of the four-body system by a substantial amount at strong coupling. This study can pave the way for some new ideas in order to investigate the effect of virtual pairs, for example, for a bound-states quark-antiquark or tetraquark systems in future.     

An Orthorhombic Phase of Superhard o-BC_4N

A potential superhard o-BC_4 N with Imm2 space group is identified by ab initio evolutionary methodology using CALYPSO code. The structural, electronic and mechanical properties of o-BC_4N are investigated. The elastic calculations indicate that o-BC_4N is mechanically stable. The phonon dispersions imply that this phase is dynamically stable under ambient conditions. The structure of o-BC_4N is more energetically favorable than o-BC_4N above the pressure of 25.1 GPa. Here o-BC_4N is a semiconductor with an indirect band gap of about 3.95 eV, and the structure is highly incompressible with a bulk modulus of 396.3 GPa and shear modulus of 456.0 GPa. The mechanical failure mode of o-BC_4N is dominated by the shear type. The calculated peak stress of 58.5 GPa in the(100)[001] shear direction sets an upper bound for its ideal strength. The Vickers hardness of o-BC_4N reaches 78.7 GPa, which is greater than that of t-BC_4N and bc-BC_4N proposed recently, confirming that o-BC_4N is a potential superhard material.     

N2��Ƶ�ŵ��������(e,N2+, N+)��PIC-MCģ��

采用PIC-MC自洽模型,模拟了氮气电容性耦合射频放电的微观等离子体过程及带电粒子(e,N2+,N+)的行为。结果表明,离子(N2+,N+)的运动状态滞后瞬时射频电场的变化;在两极附近,N2+具较高密度,但能量较低,N+具较低的密度但能量较高,两者的密度差6倍左右。两种离子轰击射频电极的能量分布变化规律类似,随放电参数变化,离子(N2+,N+)能量变化显著,其密度变化不明显。模拟的电子能量几率分布与测量结果一致。     

氮气射频放电与直流放电PIC/MC模拟的比较

建立氮气容性射频等离子体过程的PIC/MC模型,将模拟结果与直流放电进行比较.结果表明:射频等离子体粒子(e,N₂⁺,N⁺)的平均密度较直流放电约大-个量级,在射频电极附近粒子(e,N₂⁺,N⁺)的平均能量比直流放电阴极附近的能量低3倍左右;密度偏低的原子离子N⁺在两电极附近具较高的能量,能量较低的分子离子N₂⁺在放电空间具较高密度,N₂⁺的密度大约是N⁺的6倍;计算的电子能量几率分布与测量结果-致.     

离子(N2+, N+)在氮辉光放电等离子体光辐射中的作用

采用氮辉光放电等离子体电子与重粒子综合的Monte Carlo模型,研究了离子(N2+,N+)与氮分子碰撞产生光辐射的强度分布及其 在氮辉光放电等离子体光辐射中的作用。两种离子产生的各种碰撞激发和辐射都分布在鞘层区内,光辐射强度向阴极方向逐渐 增加,且总强度随放电电压增加而增强。相对于电子产生的碰撞激发辐射,离子(N2+,N+)引起的辐射在阴极附近引起次最大 光强,且原子离子N+的作用较分子离子N2+大。当电压较低时,离子(N2+,N+)引起的辐射可以忽略。模拟结果很好解释了两 种典型的N2辉光放电光学发射谱的实验结果,为等离子体诊断研究中的光谱数据分析提供参考。     

Dipolar spin correlations in classical pyrochlore magnets

We study spin correlations for the highly frustrated classical pyrochlore lattice antiferromagnets with O(N) symmetry in the limit T-->0. We conjecture that a local constraint obeyed by the extensively degenerate ground states dictates a dipolar form for the asymptotic spin correlations, at all N not equal 2 for which the system is paramagnetic down to T=0. We verify this conjecture in the cases N=1 and N=3 by simulations and to all orders in the 1/N expansion about the solvable N=infinity limit. Remarkably, the N=infinity formulas are an excellent fit, at all distances, to the correlators at N=3 and even at N=1. Thus we obtain a simple analytical expression also for the correlations of the equivalent models of spin ice and cubic water ice, Ic.     

Bloch oscillations of path-entangled photons

We show that when photons in N-particle path-entangled |N,0)+|0,N) or N00N states undergo Bloch oscillations, they exhibit a periodic transition between spatially bunched and antibunched states. The period of the bunching-antibunching oscillation is N times faster than the period of the oscillation of the photon density, manifesting the unique coherence properties of N00N states. The transition occurs even when the photons are well separated in space.     

Effects of N-application on utilization of 15N and 13C and quality in two wheat cultivars

We studied N uptake and distribution in wheat, and the incorporation of nitrogen and carbon into gluten and non-gluten proteins using a double-labelling approach with 15N and 13C. Doses of N-fertilizer were split and applied at emergence, onset of stem elongation, and heading at rates of 280/140/140 mg N pot(-1), respectively simulating 90/45/45 kg N ha(-1). Five different combinations of N-fertilizations containing no or 10 % 15N were performed. The recovery of 15N added at the stages emergence, stem elongation or heading were 42, 60, and 64 %. Application of 15N at all three stages yielded in 51 % recovery. Remobilisation of straw N was greater for Golia. The 15N concentration in gluten proteins of Golia show higher values than Gonen. The ratio of 15N gluten/15N non-gluten proteins of Golia were higher, which implies a lower non-gluten protein activity during grain filling. The 13C concentration in gluten and non-gluten proteins did not differ between both cultivars.     

Versatile Graphene Quantum Dots with Tunable Nitrogen Doping

This paper reports a facile fabrication of N‐doped graphene quantum dots (N‐GQDs) showing controllable chemical properties through a hydrothermal treatment. The N‐GQDs have a uniform size of 3.06 ± 0.78 nm and prefer the equilibrium shapes of circle and ellipse due to the minimization of edge free energy. The N/C atomic ratio in N‐GQDs can be precisely tailored in a range from 8.3 at% to 15.8 at% by simply controlling the concentration of N source (ammonium hydroxide). One order of magnitude quantum yield of 34.5% is achieved by N‐GQDs, compared with the N‐free GQDs, as the substitutional N has an essential role in more effective radiative emission. Excessive N dopants in N‐GQDs can lead to photoluminescence quenching, through nonradiative transition back to the ground state. The N‐GQDs are further found to be suitable as photocurrent conversion materials due to benign energy matching with anatase nanofibers, the ultrafast electron injection at their interface, and efficient electron transfer. This work provides an efficient and inspiring approach to engineering both chemical components and physical properties of N‐GQDs, and will therefore promote their basic research and applications in energy conversion.