A Method for Designing a Serial Product Ball Valve Using the Configuration Function in SolidWorks

A ball valve is a common mechanical product for connecting and closing a media outlet in equipment. To adapt to pipes of different sizes, a ball valve is often designed into a serial product of standard specifications. In accordance with usual routine designing, it is demanded to draw a set of blueprints for every specification and to mark its sizes. We propose using the configuration functions in the three dimensional designing software SolidWords to realize the ball valve product＇s serialization for effective designing. It only requires designing a set of blueprint integrated with a serial parts designing chart. In this way, it can accomplish the designing process of a numeral blueprint. Successful applications proves that this method is practical for serial parts＇ design.

Potential energy curve study on the ^3Π electronic states of GaX （X=F, Cl, and Br） molecules

The potential energy curves （PECs） of the 3Π states of GaX （X=F, Cl, and Br） molecules are calculated using the multireference configuration interaction method with a large contracted basis set aug-cc-pV5Z. The PECs are accurately fitted to analytical potential energy functions （APEFs） using the Murrell–Sorbie potential function. The spectroscopic parameters for the states are determined using the obtained APEFs, and compared with the theoretical and experimental data available presently in the literature.

Chiroptical properties of artemisinin and artemether investigated using time-dependent density functional theory

Chiroptical properties including electronic circular dichroism（ECD） and optical rotatory dispersion（ORD） of artemisinin and artemether have been fully studied using quantum-chemical calculation based on time-dependent density functional theory.Both theoretical ECD and ORD of these two compounds were in good match with the experimental data.ECD spectrum of artemether could be totally attributed to the peroxide group,and that of artemisinin was an overlay of contribution from δ-lactone and peroxide moieties,which leading to a positive maximum at 260 nm.Our results showed that peroxide group could produce a broad ECD band in the far-UV region originated from electron transitions of HOMO →LUMO,HOMO-1 →LUMO and HOMO-2 →LUMO in the case of artemether.This work provided a theoretical interpretation of the ECD behavior of peroxide bond.

Product Customer Demand Mining and Its Functional Attribute Configuration Driven by Big Data

The maturity of big data analysis theory and its tools improve the efficiency and reduce the cost of massive data mining.This paper discusses the method of product customer demand mining based on big data,and further studies the configuration of product function attributes.Firstly,the Hadoop platform was used to perform product attribute data participle and feature word extraction based on Apriori algorithm was used to mine product customer demand information.And then the MapReduce model on the big data platform was applied into efficient parallel data processing,obtaining product attributes with research value,and their weights and attribute levels.After that,the cloud model and the MNL model were employed to construct the product function attribute configuration model,and the improved artificial bee colony algorithm was used to solve the model.The optimal solution of the product function attribute configuration model was got.Finally,an example was given to illustrate the feasibility of the proposed method in this paper.

Absolute configuration of Buagafuran:An experimental and theoretical electronic circular dichroism study

Buagafuran is a novel drug candidate derived from natural product.Its absolute configuration has been confirmed by electronic circular dichroism combined with modern quantum-chemical calculation using time-dependent density functional theory.The predicted UV absorbance peak is underestimated by several nanometers compared with the experimental data.The applicability of empirical rule for the C=C-C-O system in Buagafuran has also been discussed.Our results show that electronic circular dichroism could be a useful tool for the absolute configuration assignment of chiral drugs,especially for the oily or semisolid substances,whose crystal structures are impossible to obtain.