Theoretical investigation into coordination and selectivity of uranyl-unilateral benzotriazole salophens (X = O/S) for R/S-triadimefons

The design of new uranyl-ligands (uranyl-Ls) is of great significance for the separation and utilization of uranium. In this paper, the triazole group was introduced into uranyl-salophen (uranyl-S) to form new asymmetric uranyl-unilateral benzotriazole salophen (uranyl-UBS); we further replaced two oxygen atoms of uranyl-UBS with two sulfur atoms to generate uranyl-unilateral benzotriazole thio-salophen (uranyl-UBTS) as a new receptor. Then, we comprehensively explored coordination models of uranyl-UBS and uranyl-UBTS with R/S-triadimefons (R/S-TDFs) enantiomers as the guests using density functional theory calculations at the B3LYP//RECP/6-311G** level; we then investigated enantioselectivity recognition of the new receptors to the guests R/S-TDFs. The results indicated that the uranium atoms of the receptors uranyl-S, uranyl-UBS and uranyl-UBTS could coordinate with the carbonyl oxygens in guests R/S-TDFs to form complexes of guest-receptors R/S-TDFs-uranyl-Ls that exhibited two stable V-shaped structures with quite different properties. It was found that the coordination ability to the guests R/S-TDFs is uranyl-UBTS > uranyl-UBS > uranyl-S, while the enantioselectivity for the guests is uranyl-UBTS > uranyl-S > uranyl-UBS and, when the receptor is the same, R-TDF has stronger coordination ability than S-TDF. These results provide information and theoretical supports for the experiments of asymmetric uranyl-UBS with R/S-TDFs, and produce a reference for further exploring the coordination characteristics of asymmetric uranyl-salophen with the triazole derivatives.     

A Micellar Mitotane Formulation with High Drug‐Loading and Solubility: Physico‐Chemical Characterization and Cytotoxicity Studies in 2D and 3D In Vitro Tumor Models

Adrenocortical carcinoma (ACC) is a rare tumor and prognosis is overall poor but heterogeneous. Mitotane (MT) has been used for treatment of ACC for decades, either alone or in combination with cytotoxic chemotherapy. Even at doses up to 6 g per day, more than half of the patients do not achieve targeted plasma concentration (14–20 mg L^?1) even after many months of treatment due to low water solubility, bioavailability, and unfavorable pharmacokinetic profile. Here a novel MT nanoformulation with very high MT concentrations in physiological aqueous media is reported. The MT‐loaded nanoformulations are characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, and powder X‐ray diffraction which confirms the amorphous nature of the drug. The polymer itself does not show any cytotoxicity in adrenal and liver cell lines. By using the ACC model cell line NCI‐H295 both in monolayers and tumor cell spheroids, micellar MT is demonstrated to exhibit comparable efficacy to its ethanol solution. It is postulated that this formulation will be suitable for i.v. application and rapid attainment of therapeutic plasma concentrations. In conclusion, the micellar formulation is considered a promising tool to alleviate major drawbacks of current MT treatment while retaining bioactivity toward ACC in vitro.     

Invariants de classes : exemples de non-annulation en dimension supérieure

The so-called class-invariant homomorphism ψ measures the Galois module structure of torsors—under a finite flat group scheme G—which lie in the image of a coboundary map associated to an isogeny between (Néron models of) abelian varieties with kernel G. When the varieties are elliptic curves with semi-stable reduction and the order of G is coprime to 6, it is known that the homomorphism ψ vanishes on torsion points. In this paper, using Weil restrictions of elliptic curves, we give the construction, for any prime number p > 2, of an abelian variety A of dimension p endowed with an isogeny (with kernel μ _p ) whose coboundary map is surjective. In the case when A has rank zero and the p-part of the Picard group of the base is non-trivial, we obtain examples where ψ does not vanish on torsion points.

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Résumé  Le class-invariant homomorphism permet de mesurer la structure galoisienne des torseurs—sous un schéma en groupes fini et plat G—qui sont dans l’image du cobord associé à une isogénie, de noyau G, entre des (modèles de Néron de) variétés abéliennes. Quand les variétés sont des courbes elliptiques à réduction semi-stable et que l’ordre de G est premier à 6, on sait que cet homomorphisme s’annule sur les points de torsion. Dans cet article, en nous servant de restrictions de Weil de courbes elliptiques, nous construisons, pour tout nombre premier p > 2, une variété abélienne A de dimension p munie d’une isogénie (de noyau μ _p ) dont le cobord est surjectif. Si A est de rang nul, et si la p-partie du groupe de Picard de la base est non triviale, nous obtenons ainsi un exemple où le class-invariant homomorphism ne s’annule pas sur les points de torsion.

     

有偏总体的极差控制图

根据加权标准差方法建立有偏总体的极差控制图,它基于有偏总体来计算对应于正态分布的控制图常数,根据样本数据的偏度来计算上下控制限,对于总体是对称分布,该控制图退化为标准的休哈特控制图.最后,用蒙特卡洛方法给出了改进的控制图常数.     

On the non-existence of global solutions to the Cauchy problem for semilinear parabolic equations and inequalities

We generalize and improve recent non-existence results for global solutions to the Cauchy problem for the inequality as well as for the equation u_t = Δu + |u|^q in the half-space . Received: 16 September 2005     

On integer and fractional parts of powers of Salem numbers

Let N be a positive rational integer and let P be the set of powers of a Salem number of degree d. We prove that for any α∈P the fractional parts of the numbers , when n runs through the set of positive rational integers, are dense in the unit interval if and only if N≦ 2d − 4. We also show that for any α∈P the integer parts of the numbers αⁿ are divisible by N for infinitely many n if and only if N≦ 2d − 3. Received: 27 April 2005     

Artin's L-functions and one-dimensional characters

Let K/Q be a finite Galois extension with the Galois group G, let χ₁,…,χr be the irreducible non-trivial characters of G, and let A be the C-algebra generated by the Artin L-functions L(s,χ₁),…,L(s,χr). Let B be the subalgebra of A generated by the L-functions corresponding to induced characters of non-trivial one-dimensional characters of subgroups of G. We prove: (1) B is of Krull dimension r and has the same quotient field as A; (2) B=A iff G is M-group; (3) the integral closure of B in A equals A iff G is quasi-M-group.     

Error analysis for finite element methods for steady natural convection problems

We analyze the error in finite element methods in approximating, so-called, free or natural convection problems. We also include the effects of conducting solid walls in our analysis. Under a uniqueness condition on the Rayleigh and Prandtl numbers (which we derive), we give direct, quasioptimal error estimates for “div-stable” finite element spaces for the fluid variables and general conforming finite element spaces for the temperature. At larger Rayleigh numbers, we give analogous, asymptotic error estimates, basing this analysis upon local uniqueness properties of the true solution (u p T), which we also establish.     

三维有限差分波束传输法:用于Ti∶ LiNbO_3方向耦合器的模拟

提出求解三维傍轴近似波动方程的交替方向隐式差分格式，并用它模拟Ｔｉ∶ＬｉＮｂＯ３方向耦合器