Artificial intelligence–based models for the qualitative and quantitative prediction of a phytochemical compound using HPLC method

Isoquercitrin is a flavonoid chemical compound that can be extracted from different plant species such as Mangifera indica (mango), Rheum nobile , Annona squamosal , Camellia sinensis (tea), and coriander ( Coriandrum sativum L.). It possesses various biological activities such as the prevention of thromboembolism and has anticancer, antiinflammatory, and antifatigue activities. Therefore, there is a critical need to elucidate and predict the qualitative and quantitative properties of this phytochemical compound using the high performance liquid chromatography (HPLC) technique. In this paper, three different nonlinear models including artificial neural network (ANN), adaptive neuro-fuzzy inference system (ANFIS), and support vector machine (SVM),in addition to a classical linear model [multilinear regression analysis (MLR)], were used for the prediction of the retention time (tR) and peak area (PA) for isoquercitrin using HPLC. The simulation uses concentration of the standard, composition of the mobile phases (MP-A and MP-B), and pH as the corresponding input variables. The performance efficiency of the models was evaluated using relative mean square error (RMSE), mean square error (MSE), determination coefficient (DC), and correlation coefficient (CC). The obtained results demonstrated that all four models are capable of predicting the qualitative and quantitative properties of the bioactive compound. A predictive comparison of the models showed that M3 had the highest prediction accuracy among the three models. Further evaluation of the results showed that ANFIS–M3 outperformed the other models and serves as the best model for the prediction of PA. On the other hand, ANN–M3proved its merit and emerged as the best model for tR simulation. The overall predictive accuracy of the best models showed them to be reliable tools for both qualitative and quantitative determination.     

A weak approach to finite elasticity

On the ground of four axioms we define thekinematics of perfectly elastic bodies and in particular the notion ofweak deformations of a perfectly elastic body. Weak deformations turn out to agree withweak diffeomorphisms introduced in [10], a class of rectifiable currents which enjoys good closure and compactness properties. Defining thedynamics of perfectly elastic bodies in terms of twoconstitutive conditions on the stored energy function, we can therefore prove existence of stable equilibrium weak deformations for mixed boundary value problems, which moreover satisfy equilibrium and conservation equations.This work has been partially supported by the Ministero dell'Universitá e della Ricerca Scientifica, by C.N.R. contract n. 91.01343.CT01, by the European Research Project GADGET, and by Grant n.11957 of the zech Acad. of Sciences.This article was processed by the author using the LaT_EX style filepljour1 from Springer-Verlag.     

分子束外延生长ZnSe自组织量子点光、电行为研究

分别应用光致发光、电容-电压和深能级瞬态傅里叶谱技术详细研究ZnSe自组织量子点样品的光学和电学行为.光致发光温度关系表明ZnSe量子点的光致发光热猝火过程机理.两步猝火过程的理论较好模拟和解释了相关的实验数据.电容-电压测量表明样品表观载流子积累峰出现的深度(样品表面下约100nm处)大约是ZnSe量子点层的位置.深能级瞬态傅里叶谱获得的ZnSe量子点电子基态能级位置为ZnSe导带下的0.11eV,这与ZnSe量子点光致发光热猝火模型得到的结果一致.     

Improvement in flow-sheet of extraction chromatography for trivalent minor actinides recovery

Journal of Radioanalytical and Nuclear Chemistry - Extraction chromatography flow-sheet employing octyl(phenyl)-N,N-diisobutylcarbonoylmethylphosphine oxide and bis(2-ethylhexyl) hydrogen phosphate...     

A synchronized particle image velocimetry and infrared thermography technique applied to an acoustic streaming flow

Subsurface coherent structures and surface temperatures are investigated using simultaneous measurements of particle image velocimetry (PIV) and infrared (IR) thermography. Results for coherent structures from acoustic streaming and associated heating transfer in a rectangular tank with an acoustic horn mounted horizontally at the sidewall are presented. An observed vortex pair develops and propagates in the direction along the centerline of the horn. From the PIV velocity field data, distinct kinematic regions are found with the Lagrangian coherent structure (LCS) method. The implications of this analysis with respect to heat transfer and related sonochemical applications are discussed.     

Dynamical scaling analysis using the Lillie Number for vitrification of deeply supercooled glycerol

Thermal response was measured for a deeply supercooled glycerol specimen by applying calorimetric temperature scanning rate spectroscopy, cooling the specimen from liquid at a slow constant cooling rate until glass transition was observed. The effective fraction of glass as a function of temperature was determined and a new definition of glass transition temperature, T_gC, as the temperature at which the effective glass fraction to be 0.5 was presented. The relation between this and the cooling rate showed the Arrhenius behavior. The effective glass fraction curves shifted linearly as a function of ln(cooling rate). When T was scaled to the Lillie Number, the glass fraction lay on a master curve, which was successfully fitted with a Kohlrausch–Williams–Watts function. The Kohlrausch exponent, the relaxation time as a function of temperature and the kinetic fragility index were determined. The results were compared with literature values.     

Anisotropic catalytic activity of the orientation controlled Nd2NiO4 + δ/YSZ hetero-epitaxial system for SOFC cathode

Electrode–electrolyte hetero-epitaxial systems for solid oxide fuel cells (SOFCs) with two different configuration of Nd₂NiO_4 + δ(110)//YSZ(100) and Nd₂NiO_4 + δ(100)//YSZ(110) were successfully fabricated by pulsed laser deposition. Thin films of Nd₂NiO_4 + δ approximately 20 nm thick were grown on a commercial single crystal of YSZ. The preferred two-dimensional diffusion paths of the oxide ions were perpendicular to the substrate for both configurations and showed oxygen reduction capability different from each other. This opens up new research direction focusing on the details of anisotropic catalytic activity of SOFC cathode depending on the crystalline surface.