Theoretical Design of Biodegradable Phthalic Acid Ester Derivatives in Marine and Freshwater Environments

The biodegradability of phtalic acid esters in marine and freshwater environments was characterized by their binding free energy with corresponding degrading enzymes. According to comprehensive biodegradation effects weights, the binding free energy values were converted into dimensionless efficacy coefficient using ratio normalization method. Then, considering comprehensive dual biodegradation effects value and the structural parameters of PAEs in both marine and freshwater environments, a 3D-QSAR pharmacophore model was constructed, five PAE derivatives (DBP−COOH, DBP−CHO, DBP−OH, DINP−NH₂, and DINP−NO₂) were screened out based on their environmental friendliness, functionality and stability. The prediction of biodegradation effects on five PAE derivatives by biodegradation models in marine and freshwater environment increased by 15.90 %, 15.84 %, 27.21 %, 12.33 %, and 8.32 %, and 21.57 %, 15.21 %, 20.99 %, 15.10 %, and 9.74 %, respectively. By simulating the photodegradation path of the PAE derivative molecular, it was found that DBP−OH can generate ^.OH and provides free radicals for the photodegradation of microplastics in the environment.     

A multiperiod model for estimating the cost of deposit insurance under the Basel III minimum capital requirement

Under the Basel III regime, a commercial bank is considered adequately capitalized if it maintains a ratio of capital to total risk-weighted assets or capital adequacy ratio (CAR) of at least 8%. We model a commercial bank that complies with Basel III's minimum capital requirement on an interval $[0,T]$ for $T>0$. The bank model is achieved via a specific rate of capital influx that fixes the bank's CAR at the minimum prescribed level of 8%. On the basis of this capital influx rate, we derive models for the bank's asset portfolio and capital dynamics required for maintaining the CAR at the minimum prescribed level. For the aforementioned bank, we further study a deposit insurance (DI) pricing problem with a coverage horizon equal to $T$ years. More specifically, we employ a multiperiod DI pricing model to approximate the cost of DI for the bank on the interval $[0,T]$, where the constant (minimum) CAR is maintained. We study the behaviours of the models leading to the constant (minimum) CAR, and the behaviour of the DI premium estimate by means of numerical simulations. In the simulation study pertaining to the DI premium estimate specifically, we determine the effects of changes in the bank's initial leverage level (deposit-to-asset ratio), the DI coverage horizon, and the volatility of the asset portfolio on the DI premium estimate.     

An identification method to estimate surface shortwave fluxes on temperature and thickness observations of sea ice in CHINARE 2006

In this paper, a parameter identification method to determine surface shortwave fluxes using temperature and thickness measurements of sea ice in CHINARE 2006 is presented. Adopting a new standard for the calculation of the thermodynamic properties of seawater named TEOS‐10, the surface shortwave fluxes are calculated by the temperature and thickness observations that were measured at Nella Fjord around Zhongshan Station, Antarctica. New simulations for temperature profiles in a different measurement period are performed by three parameterization schemes including the present method, Zillman and Shine. All numerical results are compared with in situ measurements. Results show that better simulations of the surface shortwave radiations and temperature distributions are possible with the identification method than Zillman and Shine. Therefore this method is valid, and the obtained shortwave radiation function can be applied in sea ice modeling. Copyright © 2015 John Wiley & Sons, Ltd.     

大豆脲酶诱导碳酸钙沉淀的多因素影响分析

本文探究了多个影响因素对大豆脲酶诱导碳酸钙沉淀(SICP)的影响,以优选出主要影响因素并提供其最佳范围。首先分析了脲酶浓度和温度对脲酶活性的影响;之后通过正交实验设计,进行25种工况的SICP水溶液实验,研究不同因素组合下Ca²⁺利用率的变化规律;最后借助扫描电子显微镜观测不同工况下生成碳酸钙的形态。结果表明:低温有利于脲酶的保存及活性发挥,5 ℃时脲酶活性能保持21 d以上;同一温度下,脲酶浓度越大,脲酶初始活性越高,脲酶完全失活所需时间越短。pH值、脲酶与胶结液体积比是影响Ca²⁺利用率的主要因素。为达到较高的Ca²⁺利用率,脲酶和胶结液最佳体积比为1,氯化钙与尿素最佳浓度比为1.5,Ca²⁺最佳浓度为1 mol/L。当脲酶浓度较低时生成的六面体状碳酸钙较多;随着脲酶浓度的增大,所沉淀的碳酸钙向球形转变。大豆中富含的天冬氨酸是控制碳酸钙形态的重要因素。     

On modeling of MPS‐based multiphase fluid flow with low density ratios

A divergence‐free moving particle semi‐implicit framework has been formulated for modeling of multiple miscible fluids having small density ratios (≤ 1.10) in the presence of free surface. A density‐weighted pressure gradient along with a hybrid free‐surface treatment is specifically adopted to incorporate the effect of marginal density difference through a higher‐order kernel. The hybrid free‐surface treatment reduces error in velocity divergence and resulting spurious velocity fluctuation in the vicinity of free surface for low‐velocity system. Scalar transport equation is resolved to update density associated with the particles at every time step. A total of 9 cases of lock‐exchange flow with different lock positions and density ratios have been utilized to validate the proposed framework. The model performs satisfactorily irrespective of lock positions and low density variations (3%‐9%).     

一种基于自适应单元删除率的BESO方法

在ESO中采用动态删除率能有效地提高优化效率和稳定性，但现有的动态删除率策略都含有经验参数，确定删除率的过程较为复杂。本文提出了一种用于BESO的无经验参数自适应单元删除率确定方法。通过分析单元删除率对优化稳定性的影响，得到了结构优化过程中单元删除率的理想变化规律和单元灵敏度均匀化信息对删除率的影响情况，并据此分析了经验参数引入的原因，从而构造了评价单迭代步的单元灵敏度均匀化程度指标。然后，基于单迭代步的单元灵敏度均匀化程度指标，构造了全部迭代步信息下的单元灵敏度均匀化程度相对指标，结合单元删除率的推荐范围值，给出了一种自适应于结构优化进程的单元删除率自适应函数。最后，给出了基于自适应单元删除率的BESO方法实现流程。经典算例的结果对比说明，本文方法在保证优化质量相近的情况下，具有更好的优化效率和稳定性。     

旋涂法制备WO3薄膜电致变色性能

"智能窗"大规模推广顺应可持续发展潮流,三氧化钨(WO_3)是生产"智能窗"的一种重要电致变色材料,但调控WO_3薄膜电致变色性能机制仍待进一步研究。采用旋涂法制备WO_3薄膜,重点研究了溶液浓度和旋涂次数对调控WO_3薄膜电致变色性能的影响。通过表面轮廓仪测量薄膜厚度,X射线衍射(XRD)测量薄膜结晶情况,原子力显微镜(AFM)和扫描电子显微镜(SEM)分析薄膜表面形貌,光谱仪测量薄膜初始态、着色态和褪色态的透射率。实验结果表明,随着溶液浓度增加(0. 2～1. 0 mol/L),薄膜厚度从9. 7 nm增加到33. 3 nm,透射率调制能力从0%提升到37. 0%;多次旋涂薄膜厚度线性增长,线性拟合优度(R~2)达0. 98,5次旋涂后透射率调制能力达51. 3%。改变溶液浓度和旋涂次数都是调控薄膜透射率调制能力的有效手段,精准调控薄膜透射率调制能力对设计不同应用场景的电致变色器件具有重大意义。     

Lower bound for the ratios of eigenvalues of Schrödinger with nonpositive single‐barrier potentials

Horváth and Kiss (Proc. Amer. Math. Soc., 2005) proved the upper bound estimate for Dirichlet eigenvalue ratios of the Schrödinger problem ?y^′′ + q(x)y = λy with nonnegative and single‐well potential q. In this paper, we prove that if q(x) is a nonpositive, continuous, and single‐barrier potential, then for λ_n > λ_m≥ ? 2q^?, where . In particular, if q(x) satisfies the additional condition , then λ₁ > 0 and for n > m ≥ 1. For this result, we develop a new approach to study the monotonicity of the modified Prüfer angle function.     

Empirical Likelihood Estimation for the Two-Sample Mean under Density Ratio Models Using Auxiliary Information

Auxiliary population information is often available in finite population inference problems, and the empirical likelihood (EL) approach has been demonstrated to be flexible and useful for such problems. The present paper concerns EL when interest centers on inference for the mean of the baseline distribution under two-sample density ratio models. Although dual EL is a convenient technical tool since it has the same maximum point and maximum likelihood as DRM-based EL, it can not combine such auxiliary information into the likelihood conveniently and may have loss of efficiency. By contrast, the classical EL approach of Qin and Lawless\ucite{21} does not have this problem and incorporate seamlessly auxiliary information. Based on the EL using auxiliary information and the dual EL methods, we construct both point and interval estimations and make a careful comparison. Though the point estimation efficiency gain obtained by the former is not noticeable, we find that they may have different performances in interval estimation. In terms of coverage accuracy, the two intervals are comparable for not or moderate skewed populations, and the EL interval using auxiliary information can be much superior for severely skewed populations.