Quantifying the quantumness of ensembles via generalized α-z-relative rényi entropy

International Journal of Theoretical Physics - Quantifying the quantumness of ensembles is a vital and practical task in quantum information theory. In this paper, we quantify the quantumness of...     

PAMAM树状大分子对酮基布洛芬溶解度的影响

以酮洛芬为模型药物,研究聚酰胺-胺(PAMAM)树状大分子对酮洛芬的增溶作用,并探讨其作用机理.采用紫外光谱法测定了G1.0、G1.5、G2.0、G2.5、G3.0、G3.5PAMAM在不同浓度和不同pH时对酮洛芬的增溶量.并运用计算机模拟方法对PAMAM与酮洛芬相互作用的机理进行了探讨.实验结果表明,酮洛芬的溶解度随溶液pH值变化而变化,在pH4.0～6.0范围内,PAMAM树状大分子对酮洛芬的增溶量随着PAMAM的代数、浓度和溶液pH的增加而增大.整代和半代都具有增溶作用.然而,在同一pH条件下,对于具有相同官能团数目的整代和半代,整代增溶效果要高于半代.计算机模拟结果表明PAMAM与酮洛芬主要靠静电作用力结合.增溶机理可能是酮洛芬的羧基与PAMAM的伯胺和叔胺发生静电作用.     

MgHe~+和BeHe~+光谱的理论研究

用从头算MOLECULE—EPSCF程序计算得到MgHe~+的基电子态~2∑4s和三个激发电子态~2∑3p、~2∏3p、~2∑3s以及BeHe~+的基电子态~2∑3s和二个激发电子态~2∏2p、~2△3d的势能曲线,并在此基础上利用自编的程序计算不态—态间光谱跃迁的Franck—Condon因子。MgHe~+的~2∏3p、~2∑3s都有一个很深的势阱,~2∑4s有一个非常浅的势阱,~2∑3p没有势阱。BeHe~+的~2∏2p、~2△3d各有一个很深的势阱,基电子态~2∑3s有一个非常浅的势阱。     

Mechanism of Lithium and Cobalt Recovery from Spent Lithium-ion Batteries by Sulfation Roasting Process

Different from the traditional pyrometallurgical recovery process of Li and Co from spent lithium-ion batteries, a new recovery method for Li and Co was established by converting LiCoO₂ into water-soluble metal sulfates by roasting a mixture of LiCoO₂ and NaHSO₄·H₂O. The evolution law of the mixture with increased roasting temperature was investigated by thermogravimetry-differential scanning calorimetry(TG-DSC), in situ X-ray diffraction(XRD), XRD, and X-ray photoelectron spectroscopy(XPS). The results show that the phase transition of LiCoO₂ mixed with NaHSO₄·H₂O with increased temperature proceeded as follows:LiCoO₂, NaHSO₄·H₂O→LiCoO₂, NaHSO₄→Li_1-xCoO₂, LiNaSO₄, Na₂S₂O₇, Na₂SO₄→Li_1-xCoO₂, Co₃O₄, LiNaSO₄, Na₂SO₄→Co₃O₄, LiNaSO₄. The reaction mechanism of this roasting process may be as follows:LiCoO₂+NaHSO₄·H₂O→1/2Li₂SO₄+ 1/2Na₂SO₄+1/3Co₃O₄+1/12O₂+3/2H₂O, Li₂SO₄+Na₂SO₄=2LiNaSO₄.     

Chemical Evolution of LiCoO2 and NaHSO4·H2O Mixtures with Different Mixing Ratios During Roasting Process

Mixtures of NaHSO₄·H₂O and LiCoO₂ extracted from spent lithium-ion batteries were prepared with molar ratios of 1:1, 1:2 and 1:3. The chemical evolution of the LiCoO₂ and NaHSO₄·H₂O mixtures during the roasting process was investigated by means of thermogravimetric analysis and differential scanning calorimetry (TG-DSC), X-ray diffraction(XRD), scanning electron microscopy(SEM), and X-ray photoelectron spectroscopy (XPS). The results show that the chemical reactions in the LiCoO₂ and NaHSO₄·H₂O mixtures proceed during the roasting process. The Li element in the product of the roasting process is in the form of LiNa(SO₄). With the increase of the proportion of NaHSO₄·H₂O in the mixtures, the Co element evolves as follows: LiCoO₂→Co₃O₄→ Na₆Co(SO₄)₄→Na₂Co(SO₄)₂. The roasting products exhibit dense structures and irregular shapes, and the bonding energy of Co increases.     

White-light emissive upconversion nanoparticles for visual and colorimetric determination of the pesticide thiram

Microchimica Acta - A chip-based array is described for magnetic solid-phase microextraction (MSPME) of the ions of Pt, Au and Bi. Magnetic porous organic polymers (MOPs) prepared from magnetite...     

不同代PAMAM树状大分子与牛血清白蛋白的相互作用研究

采用发散法合成了以乙二胺为核的聚酰胺-胺型(PAMAM)树状大分子,并应用荧光光谱法研究了生理条件下(pH=7.4)3.0代(G3.0)、3.5代(G3.5)和4.0代(G4.0)PAMAM树状大分子与牛血清白蛋白(BSA)的相互作用.结果表明,三种PAMAM树状大分子都能引起牛血清白蛋白荧光猝灭,其程度主要取决于各自末端基团的性质,猝灭机制属于静态猝灭.G4.0PAMAM,G3.5PAMAM和G3.0PAMAM与BSA的猝灭常数分别为2.73,1.69,1.55L·mmol-1.同时考察了体系pH值及离子强度的变化对PAMAM与BSA相互作用的影响.此外,同步荧光和紫外光谱法(UV)以及红边激发荧光位移(REES)等方法的研究结果表明,PAMAM树状大分子的存在改变了BSA的构象.