What is the form of muscimol from fly agaric mushroom (Amanita muscaria) in water? An insight from NMR experiment supported by molecular modeling

The biologically active alkaloid muscimol is present in fly agaric mushroom (Amanita muscaria), and its structure and action is related to human neurotransmitter _γ-aminobutyric acid (GABA). The current study reports on determination of muscimol form present in water solution using multinuclear ¹H and ¹³C nuclear magnetic resonance (NMR) experiments supported by density functional theory molecular modeling. The structures of three forms of free muscimol molecule both in the gas phase and in the presence of water solvent, modeled by polarized continuous model, and nuclear magnetic isotropic shieldings, the corresponding chemical shifts, and indirect spin–spin coupling constants were calculated. Several J-couplings observed in proton and carbon NMR spectra, not available before, are reported. The obtained experimental spectra, supported by theoretical calculations, favor the zwitterion form of muscimol in water. This structure differs from NH isomer, previously determined in dimethyl sulfoxide (DMSO) solution. In addition, positions of signals C3 and C5 are reversed in both solvents.     

A Photoactivated Cu–CeO2 Catalyst with Cu-[O]-Ce Active Species Designed through MOF Crystal Engineering

Fully utilizing solar energy for catalysis requires the integration of conversion mechanisms and therefore delicate design of catalyst structures and active species. Herein, a MOF crystal engineering method was developed to controllably synthesize a copper–ceria catalyst with well-dispersed photoactive Cu-[O]-Ce species. Using the preferential oxidation of CO as a model reaction, the catalyst showed remarkably efficient and stable photoactivated catalysis, which found practical application in feed gas treatment for fuel cell gas supply. The coexistence of photochemistry and thermochemistry effects contributes to the high efficiency. Our results demonstrate a catalyst design approach with atomic or molecular precision and a combinatorial photoactivation strategy for solar energy conversion.     

Twice Q-polynomial distance-regular graphs of diameter 4

It is known that a distance-regular graph with valency k at least three admits at most two Qpolynomial structures. We show that all distance-regular graphs with diameter four and valency at least three admitting two Q-polynomial structures are either dual bipartite or almost dual bipartite. By the work of Dickie(1995) this implies that any distance-regular graph with diameter d at least four and valency at least three admitting two Q-polynomial structures is, provided it is not a Hadamard graph, either the cube H(d, 2)with d even, the half cube 1/2H(2d + 1, 2), the folded cube?H(2d + 1, 2), or the dual polar graph on [2A2d-1(q)]with q 2 a prime power.     

Uniform partition extensions,a generating functions perspective

In this paper, a bivariate generating function CF(x, y) =f(x)-yf(xy)1-yis investigated, where f(x)= n 0fnxnis a generating function satisfying the functional equation f(x) = 1 + r j=1 m i=j-1aij xif(x)j.In particular, we study lattice paths in which their end points are on the line y = 1. Rooted lattice paths are defined. It is proved that the function CF(x, y) is a generating function defined on some rooted lattice paths with end point on y = 1. So, by a simple and unified method, from the view of lattice paths, we obtain two combinatorial interpretations of this bivariate function and derive two uniform partitions on these rooted lattice paths.     

A simple method improving the analyzing accuracy of circular groove guide

A simple method is introduced to improve the analysing accuracy of circular groove guide. With this method, the characteristic equation of circular groove guide is derived and its solution is given and discussed.The Project Supported by National Natural Science Foundation of P.R.China     

关于四元数矩阵乘积迹的不等式

设 H~(m×n)为 m×n 四元数矩阵的集合,σ_1(A)≥…≥σ_n(A)为 A∈H~(mxn)的奇异值。本文证明了:1)设 A∈H~(mxm),B∈H~(mxm),r=min(m,m),则|tr(4B)|≤c r σ_i(A)σ_i(B).2)设 A_i∈H~(mxm),i=1,2,…,n,(A_1A_2…A_n)k为 A_1A_2…A_n 的任一个 k 阶主子阵,则|tr(A_1.A_2…A_n)_k|≤sun form i=1 to k σ_i(A_1)…σ_i(A_n).我们还得到四元数矩阵迹的其它一些不等式。这些结果推广和改进了文[1],[2]中的结果,进一步解决了 Bellman 猜想。