处理噪声问题的泰勒展开交替最小化算法

为了处理图像、计算机视觉和生物信息等领域中广泛存在的稀疏大噪声和高斯噪声问题,提出了一种利用交替方向最小化思想求解主成分追求松弛模型的泰勒展开交替最小化算法(TEAM).采用推广泰勒展开和收缩算子等技术推导出低秩矩阵和稀疏大噪声矩阵的迭代方向矩阵,加入连续技术提高算法的收敛速率,设计出TEAM算法的求解步骤.实验中,将TEAM算法与该领域的顶级算法作分析对比.结果表明,TEAM算法时间优势明显,误差优势略好.     

Study of the circumstance influence on the elemental distribution in ancient animal bone using μ-XRF

Elemental analysis of archaeological bone plays an important role in the study of the dietary habits of ancient animals. The elemental characteristic of diagenetic skeletons depends on the surrounding circum-stance. The study of environmental influence on the elemental concentration of ancient bone is significant. In this paper, the diagenetic influence on archaeological skeletons is analyzed by microbeam X-ray fluorescence (μ-XRF). The results show that the enamel is an excellent barrier to the diagenesis and the element Sr in bone isn’t susceptible to contamination from the buried environment.     

Distinguishing authentic and counterfeit banknotes by surface chemical composition determined using electrospray laser desorption ionization mass spectrometry

Electrospray laser desorption ionization mass spectrometry (ELDI/MS) was used to rapidly distinguish authentic banknotes from counterfeits of the US dollar and the New Taiwan dollar. The banknotes' surfaces were irradiated with a pulsed ultraviolet laser, after which the desorbed ink compounds entered an electrospray plume and formed ions via interactions with charged solvent species. Authentic banknotes were found to differ from their counterfeit equivalents in their surface chemical compositions. The detected chemical compounds included various polymers, plasticizers and inks; these results were comparable with those obtained using solvent extraction followed by electrospray ionization mass spectrometry analysis. Because of the high spatial resolution of the laser beam, ELDI/MS analysis resulted in minimal damage to the banknotes. Copyright © 2013 John Wiley & Sons, Ltd.     

Muscle oxygenation measurement in humans by noninvasive optical spectroscopy and Locally Weighted Regression

We have developed a method to make real-time, continuous, noninvasive measurements of muscle oxygenation (Mox) from the surface of the skin. A key development was measurement in both the visible and near infrared (NIR) regions. Measurement of both oxygenated and deoxygenated myoglobin and hemoglobin resulted in a more accurate measurement of Mox than could be achieved with measurement of only the deoxygenated components, as in traditional near-infrared spectroscopy (NIRS). Using the second derivative with respect to wavelength reduced the effects of scattering on the spectra and also made oxygenated and deoxygenated forms more distinguishable from each other. Selecting spectral bands where oxygenated and deoxygenated forms absorb filtered out noise and spectral features unrelated to Mox. NIR and visible bands were scaled relative to each other in order to correct for errors introduced by normalization. Multivariate Curve Resolution (MCR) was used to estimate Mox from spectra within each data set collected from healthy subjects. A Locally Weighted Regression (LWR) model was built from calibration set spectra and associated Mox values from 20 subjects using 2562 spectra. LWR and Partial Least Squares (PLS) allow accurate measurement of Mox despite variations in skin pigment or fat layer thickness in different subjects. The method estimated Mox in five healthy subjects with an RMSE of 5.4%.     

Acetylcholinesterase inhibitors: Modeling potential candidates

Alzheimer's disease is the leading cause of dementia for elderly people. The main active therapeutic is supported on the increased levels of acetylcholine in the synaptic cleft, based on reversible inhibition of the acetylcholinesterase (AChE) enzyme. This article aims to propose possible inhibitor candidates for AChE, designed from nonisoprenoid lipids of cashew (Anacardium occidentale), and based on several electronic properties. These electronic properties were obtained through B3LYP/6‐311+G(2d,p) calculation level. Principal component analysis reveals that from the set of studied molecular structures a small group is correlated with donepezil, a drug with known biological activity. © 2012 Wiley Periodicals, Inc.     

Risk evaluation of diabetes mellitus by relation of chaotic globals to HRV

This study's aim is to analyze heart rate dynamics in subjects with diabetes by measures of heart rate variability (HRV). The correlation of chaotic global parameters in the two cohorts is able to assess the probability of cardiac failure and other dynamical diseases. Adults (46) were divided into two equal groups. The autonomic evaluation consisted of measuring HRV for 30 min in supine position in absence of any physical, sensory, or pharmacological stimuli. Chaotic global parameters are able to statistically determine which series of electrocardiograph interpeak intervals in short time‐series are diabetic and which are not. The chaotic forward parameter that applies all three parameters is suggested to be the most appropriate and robust algorithm. This was decided after tests for normality; followed by one‐way analysis of variance (ANOVA1); (P < 0.09) and Kruskal–Wallis technique (P < 0.03). Principal component analysis implied two components represent 99.8% of total variance. Therefore, diabetes is a disease which reduces the chaotic response and, as such may be termed a dynamical condition such as are cardiac arrest, asthma, and epilepsy. © 2014 Wiley Periodicals, Inc. Complexity 20: 84–92, 2015     

Quality by Design Approach for Development of W/O Type Microemulsion-Based Transdermal Systems for Atenolol

The objective of the present investigation was to develop microemulsion-based transdermal systems of highly water soluble drug, Atenolol, by quality by design technique. Atenolol-loaded W/O microemulsions were optimized using D-optimal design with concentrations of oil, surfactants mixture, and water as independent variables, which was converted into microemulsion-based gel (MBG). The results of in vitro permeation of the optimized batch of Atenolol-loaded MBG revealed significant increase in permeability parameters as compared to its convention gel. All results suggested suitability of W/O type MEs as carriers for transdermal delivery of highly water soluble drug, Atenolol.     

Comprehensive Characterization of Shredded Lithium-Ion Battery Recycling Material

Herein we report on an analytical study of dry-shredded lithium-ion battery (LIB) materials with unknown composition. Samples from an industrial recycling process were analyzed concerning the elemental composition and (organic) compound speciation. Deep understanding of the base material for LIB recycling was obtained by identification and analysis of transition metal stoichiometry, current collector metals, base electrolyte and electrolyte additive residues, aging marker molecules and polymer binder fingerprints. For reversed engineering purposes, the main electrode and electrolyte chemistries were traced back to pristine materials. Furthermore, possible lifetime application and accompanied aging was evaluated based on target analysis on characteristic molecules described in literature. With this, the reported analytics provided precious information for value estimation of the undefined spent batteries and enabled tailored recycling process deliberations. The comprehensive feedstock characterization shown in this work paves the way for targeted process control in LIB recycling processes.     

基于化学学科核心素养发展的元素化合物教学案例研究*

通过“燃煤污染与防治”“金属矿物的开发利用”等2个典型的元素化合物教学案例,探讨如何将元素化合物的学习置于一定挑战性的问题情境中,形成问题解决基本思路,从化学视角分析解决实际问题,促进学生化学学科核心素养的发展。