Monthly Increase in Vitamin D Levels upon Supplementation with 2000 IU/Day in Healthy Volunteers: Result from “Integriamoci”, a Pilot Pharmacokinetic Study

Vitamin D (VD) is a calcium- and phosphate-controlling hormone used to treat bone disorders; yet, several other effects are progressively emerging. VD deficiency is highly prevalent worldwide, with suboptimal exposure to sunlight listed among the leading causes: oral supplementation with either cholecalciferol or calcitriol is used. However, there is a scarcity of clinical studies investigating how quickly VD concentrations can increase after supplementation. In this pilot study, the commercial supplement ImmuD3 (by Erboristeria Magentina^®) was chosen as the source of VD and 2000 IU/day was administered for one month to 21 healthy volunteers that had not taken any other VD supplements in the previous 30 days. Plasma VD levels were measured through liquid chromatography coupled to tandem mass spectrometry after 7, 14, and 28 days of supplementation. We found that 95% of the participants had insufficient VD levels at baseline (<30 ng/mL; median 23.72 ng/mL; IQR 18.10–26.15), but after 28 days of supplementation, this percentage dropped to 62% (median 28.35 ng/mL; IQR 25.78–35.20). The median increase in VD level was 3.09 ng/mL (IQR 1.60–5.68) after 7 days and 8.85 ng/mL (IQR 2.85–13.97F) after 28 days. This study suggests the need for continuing VD supplementation and for measuring target level attainment.     

A discontinuous Galerkin immersed boundary solver for compressible flows: Adaptive local time stepping for artificial viscosity–based shock-capturing on cut cells

We present a higher-order cut cell immersed boundary method (IBM) for the simulation of high Mach number flows. As a novelty on a cut cell grid, we evaluate an adaptive local time stepping (LTS) scheme in combination with an artificial viscosity–based shock-capturing approach. The cut cell grid is optimized by a nonintrusive cell agglomeration strategy in order to avoid problems with small or ill-shaped cut cells. Our approach is based on a discontinuous Galerkin discretization of the compressible Euler equations, where the immersed boundary is implicitly defined by the zero isocontour of a level set function. In flow configurations with high Mach numbers, a numerical shock-capturing mechanism is crucial in order to prevent unphysical oscillations of the polynomial approximation in the vicinity of shocks. We achieve this by means of a viscous smoothing where the artificial viscosity follows from a modal decay sensor that has been adapted to the IBM. The problem of the severe time step restriction caused by the additional second-order diffusive term and small nonagglomerated cut cells is addressed by using an adaptive LTS algorithm. The robustness, stability, and accuracy of our approach are verified for several common test cases. Moreover, the results show that our approach lowers the computational costs drastically, especially for unsteady IBM problems with complex geometries.     

改进的五阶WENO-Z+格式

WENO-ZWENO-Z$+\!$格式的性能提升依赖于新增项的作用,该项的作用是在WENO-Z格式的基础上进一步增大欠光滑子模板上的权重. 系数$\lambda$被设置用来调控该项的作用, 以避免负耗散. 本文指出了WENO-Z$+\!$格式的缺陷,其所采用$\lambda $的取值方式既不能充分发挥格式的潜力, 也未完全消除负耗散;提出$\lambda $的值应随当地流场数据变化,方能充分发挥新增项在降低数值耗散、提高分辨率上的潜力. 基于此,本文重新设计了$\lambda $的计算公式,该公式能自适应地调控新增项的作用: 只在欠光滑子模板上的权重容易过度增大的地方削弱该项的作用,以避免负耗散; 在其他地方则充分发挥新增项的作用,最大限度增大欠光滑子模板上的权重, 提高格式的分辨率.将使用该系数公式的新格式命名为WENO-Z++, 并对其数值性能进行了系统的研究.理论分析表明, 新格式在间断处具有基本无振荡(essentially non-oscillatory,ENO)特性和更低的数值耗散. 对近似色散关系(approximate dispersion relation,ADR)的研究表明,新格式有效地避免了因过度增大欠光滑子模板上的权重而带来的负耗散,其频谱特性也得到了显著提升.本文还推导了使新格式在极值点处也能保持最优阶的精度的参数设置.一系列求解Euler方程的数值试验表明,新格式的激波捕捉能力和对复杂流场结构的分辨率都显著优于原WENO-Z$+\!$格式.}     

薄板弯曲分析的节点积分高阶无网格法

采用高阶无网格法求解薄板弯曲问题,在已发展的线性曲率光顺方案的基础上,通过引入泰勒展开技术,建立了能够精确再现纯弯曲和线性弯曲模式的节点积分方法。与之相比,目前无网格薄板分析主要采用的节点积分方法仅能精确再现纯弯曲模式。数值结果表明,本文方法可精确通过纯弯曲和线性弯曲试验,且能得到光滑、无振荡的弯矩场。与标准的高斯积分方法和目前已存在的节点积分方法相比,本文方法在计算精度、效率以及弯矩分布等方面均展现出显著优势。     

过渡金属络合物成键本质分析的常用方法

过渡金属络合物中过渡金属与配体间所形成的化学键的成键本质,可以在理论化学基础上,采用定量的方法进行分析。本文重点以铁羰基络合物为例,对常用的分析方法,如自然键轨道方法(NBO)、电荷分解分析(CDA)、分子中的原子(AIM)拓扑分析方法以及ETS和EDA能量分解方法等,在应用中的优缺点进行了分析和评述。借助于这些方法提供的电荷、能量和电子密度等配分项可以深刻认识和理解过渡金属-配体间形成的化学键的成键本质。     

Binary alloys as a model for the multicultural society

The model of regular solutions, that may be applied to binary alloys (e.g. Au?Pt, Si?Ge) has been compared to binary societies: blacks—non-blacks in the US, catholics—non-catholics, foreigners—German citizen. The excellent agreement of phase diagrams and intermarriage data encourages a calculation of the multicultural society by functions of thermodynamics: Solubility corresponds to integration, miscibility gap to segregation, free enthalpy to happiness and temperature to tolerance of a society. Only a high level of tolerance will integrate ghettos and lead to a peaceful multicultural society.     

化学专业本硕博一体化培养的课程建设探索*

化学专业本硕博一体化培养的课程建设以博士教育综合改革为契机,借鉴一流高校的先进理念,梳理原来本硕博三级培养过程中存在的课程内容重叠、缺乏衔接、知识广度不足等问题,结合化学专业特点和本校学科优势,兼顾理论课程、实验课程及实践训练环节,优化教学资源,力求建成横向学科交叉、纵向层次递进的本硕博一体化系列课程,为贯通式人才培养提供有益探索。     

新高考方案下浙江省化学分类走班教学的研究

新高考方案给予学生更多学科选择权,同时也给化学学科带来了新的挑战。以化学教学为视角,在2014级学生实施分类走班教学的基础上,通过调查影响学生化学学考/选考的因素,探究新高考方案对化学教学的影响以及实践相应的教学策略。重点研究教学组织形式的改变、教学内容的重组融合、教学手段的多元互补、教学方式的选择优化、教学观念的更新发展。     

基础化学教学中从化学视角解释医学知识*——以“龋齿的形成与防护”为例

为解决医学院学生难以运用化学知识联系解释医学内容的问题,以医学案例“龋齿的形成与防护”作为切入点,通过医学现象去揭示其中所蕴含的化学原理,探索将基础化学教学与医学内容相结合。采用化学与医学融合教学模式能够激发起学生学习化学的兴趣,培养学生思考分析解决问题的能力,为培养新时代复合型医学人才奠定基础。     

钙钛矿光伏电池封装材料与工艺研究进展

钙钛矿太阳能电池作为第3代新概念太阳能电池,具有高光电转换效率、低成本和可柔性加工等优点,近年来发展迅速,其光电转换效率从一开始的3.8%增长到近期的25.5%,逐渐比肩硅电池,已接近商业化应用水平。目前,实现钙钛矿太阳能电池产业应用的关键环节在于电池封装,它不仅可以解决钙钛矿光伏器件稳定性问题,还可以实现电池安全、环保和延长使用寿命等要求。结合近十几年来钙钛矿光伏电池封装材料和封装工艺两方面的发展现状,文中介绍了钙钛矿电池封装领域取得的成果和存在的不足,讨论了目前现有封装技术的优缺点,以及它们适用的不同器件类型。着重在不同温度湿度条件下,比较了不同封装材料性能、封装工艺条件对钙钛矿电池效率及稳定性的影响,归纳出影响钙钛矿电池薄膜封装效果的3个关键因素： 聚合物的弹性模量、水蒸气透过率、加工温度。比较了不同聚合物薄膜封装材料适宜的加工温度、优缺点及加工成本。可以看出,随着钙钛矿光伏电池工业化需求的强烈增长和人们对其封装材料研究的不断深入,研究适合大面积生产和光伏建筑一体化的新型功能聚合物封装材料将是必然趋势。