Weighted regularized extreme learning machine to model the discharge coefficient of side slots

In the current research, a modern learning machine algorithm named “Weighted Regularized Extreme Learning Machine (WRELM)" is implemented for the first time for the simulation of the coefficient of discharge of side slots. For this purpose, an effective variable on the coefficient of discharge of side slots is firstly introduced, then five distinctive WRELM models are produced by it for the estimation of the coefficient. In the next stage, a database is created for verification of WRELM results. it should be mentioned that 70% of the data are utilized for training the WRELM models, while the rest (i.e. 30%) for testing them. After that, the optimal number of hidden layer neurons as well as the best activation function of the WRELM algorithm are chosen. In addition, the best regularization parameter and also the weight function of the WRELM are achieved. By conducting a sensitivity analysis, the most effective variable for the simulation of the coefficient of discharge along with the WRELM superior model is introduced. The WRELM superior model estimates values of the coefficient of discharge with the maximum exactness and the highest correlation. For instance, the estimations of the correlation coefficient and scatter index for this model are computed to be 0.930 and 0.051, respectively. The sensitivity analysis shows that the ratio of the side slot crest height to its length and the Froude number should be considered as the most important input variables. A comparison between the WRELM with the ELM displays that the former works much better. Furthermore, an uncertainty analysis is executed for both models. Eventually, an equation is suggested for the estimation of the coefficient of discharge and a partial derivative sensitivity analysis is performed on it.     

Synthesis and Application of Methyl N,O-Hydroxylamine Muramyl Peptides

The innate immune system's interaction with bacterial cells plays a pivotal role in a variety of human diseases. Carbohydrate units derived from a component of bacterial cell wall, peptidoglycan (PG), are known to stimulate an immune response. Nonetheless, access to modified late-stage peptidoglycan intermediates is limited due to their synthetic complexity. A method to rapidly functionalize PG fragments is needed to better understand the natural host–PG interactions. Here methyl N,O-hydroxylamine linkers are incorporated onto a synthetic PG derivative, muramyl dipeptide (MDP). The modification of MDP maintained the ability to stimulate a nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB) immune response dependent on the expression of nucleotide-binding oligomerization domain-containing protein 2 (Nod2). Intrigued by this modification's maintenance of biological activity, several applications were explored. Methyl N,O-hydroxylamine MDP was amendable to N-hydroxylsuccinimide (NHS) chemistry for bioconjugation to fluorophores as well as a self-assembled monolayer for Nod2 surface plasmon resonance analysis. Finally, linker incorporation was applicable to larger PG fragments, both enzymatically generated from Escherichia coli or chemically synthesized. This methodology provides rapid access to PG probes in one step and allows for the installation of a variety of chemical handles to advance the molecular understanding of PG and the innate immune system.     

Global weak solutions to a spatio-temporal fractional Landau–Lifshitz–Bloch equation

The present paper deals with global existence of weak solutions of a time-space fractional Landau–Lifshitz–Bloch equation involving the weak Caputo derivative and a fractional Laplacian. We use Faedo–Galerkin method with some commutator estimates in order to prove global existence of weak solutions for the model. The uniqueness is also discussed in a special one dimensional case.     

Theoretical and experimental studies of a new aniline derivative corrosion inhibitor for mild steel in acid medium

4-Chloro-N-(pyridin-2-ylmethyl)aniline (CPYA) was synthesized by a simple and inexpensive method and tested as a corrosion inhibitor in acid medium for mild steel by using gravimetric studies and electrochemical measurements. An average maximum efficiency of 96.0% was achieved at 4.59 mmol/L. Corrosion kinetic and thermodynamic parameters were also analyzed. Surface analyses (atomic force microscopy and scanning electron microscopy) show that protection is enabled by adsorption on the metal, forming a film. Quantum chemical calculations were performed to access information regarding the molecular structure in the corrosive medium and to support interpretation of the results obtained by experimental methods.     

Unsteady free convection of second‐grade nanofluid with a new time‐space fractional heat conduction

The Caputo and Caputo–Fabrizio derivative are applied to study a second‐grade nanofluid over a vertical plate. A comparative analysis is presented to study the unsteady free convection of a second‐grade nanofluid with a new time–space fractional heat conduction. The governing equations with mixed time–space fractional derivatives are non‐dimensionalized and solved numerically, and a comparison between the Caputo and the Caputo–Fabrizio models is made. It is found that the temperature is higher for the Caputo–Fabrizio fractional model than the Caputo model, but the higher velocity only exists near the vertical plate for the Caputo–Fabrizio model than the Caputo model. Moreover, the velocity for the Caputo model will exceed the Caputo–Fabrizio model as y evolves.     

氟橡胶的红外光谱研究

采用红外(IR)光谱,包括一维红外光谱、二阶导数红外光谱、四阶导数红外光谱和去卷积红外光谱对氟橡胶(FKM)的分子结构进行了研究。试验发现:氟橡胶的红外吸收模式主要包括CH2不对称伸缩振动模式(νasCH2-FKM)、CH2对称伸缩振动模式(νsCH2-FKM)、CH2弯曲伸缩振动模式(δCH2-FKM)、CF2不对称伸缩振动模式(νasCF2-FKM)、CF2对称伸缩振动模式(νsCF2-FKM)和CFCl伸缩振动模式(νCFCl-FKM)等。研究发现:氟橡胶的去卷积IR光谱的谱图分辨能力要优于相应的一维IR光谱、二阶导数IR光谱和四阶导数IR光谱。此研究拓展了IR光谱在氟橡胶结构及应用研究的范围。     

In vitro cytotoxicity of monticellite based bioactive ceramic powder synthesized from boron derivative waste

The cytotoxicity of monticellite based bioactive ceramic powder, which was synthesized from boron derivative waste has been determined by in vitro assays of MTT, NRU, and JC-1 staining. The toxicity of powder on different mammalian cell lines (3T3-L1, HUVEC, CRL-2120) was evaluated at the concentrations of 10, 100, 200, 400 and 800?µg/mL to justify its potential for biomedical applications. The obtained results showed that monticellite based bioactive ceramic powder possesses not only bioactive feature but also biocompatible characteristic at the concentration range of 10–200?µg/mL. Hence, monticellite based bioactive ceramics have high potential as a bone graft substitute for bone void filling and coating applications.     

超分子作用阻尼材料的动态力学模型修正

为提高飞机起落架载荷实测精度，以支柱式起落架结构为研究对象，探讨处理其载荷标定数据的工程方法。首先，对实际受载情况和单向加载工况标定数据的分析，挖掘出三向载荷、缓冲支柱压缩行程与应变码值间的数学关系，将预测的数学关系代入到多向工况的标定数据中，验证了它们的准确性;其次，根据两种标定数据回归方法，提出了对应使用的支柱式起落架载荷-应变标定方程的数学模型;最后，将两种标定方程代回到标定数据中，计算起落架三向载荷，所有反算载荷的误差均在可控范围内，表明标定方程满足精度要求。将标定方程代入实测数据中，实测曲线符合变化规律。该处理方法的应用能有力提高支柱式起落架的起飞-着陆载荷实测和载荷谱编制的准确度。     

Double Variational Binding—(SMILES) Conformational Analysis by Docking Mechanisms for Anti-HIV Pyrimidine Ligands

Variational quantitative binding–conformational analysis for a series of anti-HIV pyrimidine-based ligands is advanced at the individual molecular level. This was achieved by employing ligand-receptor docking algorithms for each molecule in the 1,3-disubstituted uracil derivative series that was studied. Such computational algorithms were employed for analyzing both genuine molecular cases and their simplified molecular input line entry system (SMILES) transformations, which were created via the controlled breaking of chemical bonds, so as to generate the longest SMILES molecular chain (LoSMoC) and Branching SMILES (BraS) conformations. The study identified the most active anti-HIV molecules, and analyzed their special and relevant bonding fragments (chemical alerts), and the recorded energetic and geometric docking results (i.e., binding and affinity energies, and the surface area and volume of bonding, respectively). Clear computational evidence was also produced concerning the ligand-receptor pocket binding efficacies of the LoSMoc and BraS conformation types, thus confirming their earlier presence (as suggested by variational quantitative structure-activity relationship, variational-QSAR) as active intermediates for the molecule-to-cell transduction process.     

An efficient numerical scheme for solving fractional infinite-horizon optimal control problems

This paper presents an efficient numerical method to solve fractional infinite-horizon optimal control problems, where the dynamic control system depends on Caputo fractional derivatives. First, by a suitable change of variable, we transform the fractional infinite-horizon optimal control problem to a finite-horizon one. Then, with the help of an approximation, we replace the Caputo derivative to integer order derivative. According to the Pontryagin minimum principle (PMP) for optimal control problems and by constructing an error function, we define an unconstrained minimization problem. In the optimization problem, we use trial solutions for state, costate and control functions where these trial solutions are constructed by using two-layered perceptron neural network. Some numerical results are introduced to explain our main results.