Accelerating Factor Xa inhibitor discovery with a de novo drug design pipeline

Small-molecule drugs are essential for maintaining human health. The objective of this study is to identify a molecule that can inhibit the Factor Xa protein and be easily procured. An optimization-based de novo drug design framework, Drug CAMD, that integrates a deep learning model with a mixed-integer nonlinear programming model is used for designing drug candidates. Within this framework, a virtual chemical library is specifically tailored to inhibit Factor Xa. To further filter and narrow down the lead compounds from the designed compounds, comprehensive approaches involving molecular docking,binding pose metadynamics(BPMD), binding free energy calculations, and enzyme activity inhibition analysis are utilized. To maximize efficiency in terms of time and resources, molecules for in vitro activity testing are initially selected from commercially available portions of customized virtual chemical libraries. In vitro studies assessing inhibitor activities have confirmed that the compound EN300-331859shows potential Factor Xa inhibition, with an IC_(50)value of 34.57 μmol·L^(-1). Through in silico molecular docking and BPMD, the most plausible binding pose for the EN300-331859-Factor Xa complex are identified. The estimated binding free energy values correlate well with the results obtained from biological assays. Consequently, EN300-331859 is identified as a novel and effective sub-micromolar inhibitor of Factor Xa.

Combining Deep Learning with Knowledge Graph for Design Knowledge Acquisition in Conceptual Product Design

The acquisition of valuable design knowledge from massive fragmentary data is challenging for designers in conceptual product design.This study proposes a novel method for acquiring design knowledge by combining deep learning with knowledge graph.Specifically,the design knowledge acquisition method utilises the knowledge extraction model to extract design-related entities and relations from fragmentary data,and further constructs the knowledge graph to support design knowledge acquisition for conceptual product design.Moreover,the knowledge extraction model introduces ALBERT to solve memory limitation and communication overhead in the entity extraction module,and uses multi-granularity information to overcome segmentation errors and polysemy ambiguity in the relation extraction module.Experimental comparison verified the effectiveness and accuracy of the proposed knowledge extraction model.The case study demonstrated the feasibility of the knowledge graph construction with real fragmentary porcelain data and showed the capability to provide designers with interconnected and visualised design knowledge.

Curriculum Reform Practices in “Cosmetic Product Formulation Design and Preparation Technology” Under the Perspective of Integration of Industry, Education, and Research

With the upgrading of industries,the cosmetics industry has posed new requirements for technical talents.As a professional core course in cosmetic technology,“Cosmetic Product Formulation Design and Preparation Technology”serves as the foundation for cultivating students’abilities in cosmetic development and preparation.To foster high-quality skilled talents capable of adapting to the rapid growth of color cosmetics and to better promote the deep integration of scientific and technological industries with curriculum teaching,the teacher team embarked on active explorations and practical teaching research for curriculum teaching reform from four dimensions:strengthening top-level design,enriching teaching content,optimizing teaching design,and reforming assessment methods.These efforts have enhanced students’comprehensive vocational qualities and innovative consciousness,contributing to the teaching reform in higher vocational colleges under the integration of industry,education,and research.

NEW INSIGHTS INTO PRINCIPLES FOR DESIGNING ARCHITECTURE OF ENVIRONMENT SYSTEM FOR TOOL INTEGRATION ─IN THE CASE OF PRODUCTION MACHINES DESIGN

CAD/CAM integration is broadly viewed as tool integration. From this point of view, both CAD/CAM software and hardware are considered as tools. A great advantage of this view point is that a very flexible paradigm is introduced, in which the CAD/CAM system for a particular industrial application can be customized and built by selecting a set of tools. This paper intends to shed some lights on the principles for designing the architecture of such a tool integration environment. Although such an environment is no more than a computer program sys. tem itself, its particular characteristics arising from its unique role, i.e., tool integration, make the discussion on the designing of an environment architecture nontrivial. The paper externalizes the author's experiences in implementing an tool integration environment for production machines.In particular, the discussion renders some insights into the concepts such as tool integration models, various views of an environment architecture, classification of data into tool-data and environment data, and employment of the information relativity principle in making an environment architecture flexible. The paper will take production machines design as a target application that an environment system is developed for, owing to its extreme complexity and thus make sense of coverage of other engineering applications.

Product Specification Analysis for Modular Product Design Using Big Sales Data

Big data on product sales are an emerging resource for supporting modular product design to meet diversified customers’requirements of product specification combinations.To better facilitate decision-making of modular product design,correlations among specifications and components originated from customers’conscious and subconscious preferences can be investigated by using big data on product sales.This study proposes a framework and the associated methods for supporting modular product design decisions based on correlation analysis of product specifications and components using big sales data.The correlations of the product specifications are determined by analyzing the collected product sales data.By building the relations between the product components and specifications,a matrix for measuring the correlation among product components is formed for component clustering.Six rules for supporting the decision making of modular product design are proposed based on the frequency analysis of the specification values per component cluster.A case study of electric vehicles illustrates the application of the proposed method.

基于TLBO算法的不确定性条件下复杂产品协同设计的可靠性拓扑优化

复杂产品的拓扑优化设计可以显著节省材料和节能,有效地降低惯性力和机械振动。本研究以一种大吨位液压机作为典型的复杂产品,用于阐述该优化方法。本文提出了一种基于可靠性与优化解耦模型和基于教学学习的优化(TLBO)算法的可靠性拓扑优化方法。将由板结构形成的支撑物作为拓扑优化对象,重量轻、稳定性好。将不确定性下的可靠性优化和结构拓扑优化协同处理。首先,利用有限差分法将优化问题中的不确定性参数修正为确定性参数。然后,将不确定性可靠性分析和拓扑优化的复杂嵌套解耦。最后,利用TLBO算法求解解耦模型,该算法参数少,求解速度快。TLBO算法采用了自适应教学因子,在初始阶段实现了更快的收敛速度,并在后期进行了更精细的搜索。本文给出了一个液压机基板结构的数值实例,说明了该方法的有效性。

A Review on Sustainable Product Design, Marketing Strategies and Conscious Consumption of Bamboo Lifestyle Products

Conscious consumption is a trend that is here to stay since consumers are becoming more aware of their purchasing decision and its impact on their health & environment. To sustain in the market on the move towards sustainability and meet the demands, companies need to re-examine their footprints and incorporate green practices in their products and organization. Using eco-friendly material & processes is one of the remedies to come up with this, and bamboo is one of the most versatile, green and renewable natural resources on planet earth. Traditionally bamboo has been exploited to a large extent but cutting-edge options available for bamboo are still limited and have a scope of indulging fully in the lifestyle of people in India. The global market size of bamboo was valued at UED 53.28 billion in 2020, and it is expected to grow at compound annual growth rate of 5.7% from 2022 to 2028. There is increasing demand for sustainable construction, and furniture and handicraft products also have considerable weightage. Manny brands and craft clusters of bamboo are realizing and promoting this green quotient of bamboo to the market to attract the eco-conscious audience and trying to cope up with the advancement of sustainability, like certifications of being a green organisation. Despite the exceptional qualities of bamboo, it is considered as a marginalized material due to low production rate, high competition with the non-eco-friendly or cheaper alternatives, aesthetics and marketing gaps. There is a gap between willingness to purchase and an actual purchase when it comes to the sustainable products and marketing plays a major role in conversions. The main purpose of the research is to study and understand the product, craft, design, production processes and marketing practices of bamboo lifestyle products and how conscious consumption patterns influence the bamboo products and the industry in relevance to the sustainability. Exploratory research method was applied with the literature survey and reviewing of the research papers from the peer reviewed journals. They were classified and reviewed based on the areas relevant to the bamboo products. The research outcome revealed the research gaps and the results were discussed and presented with the perspectives of product design, conscious consumption and marketing strategies in relevant to the sustainability of bamboo lifestyle products.

WEB-BASED MANUFACTURING PROCESS DEVELOPER

Product and manufacturing process developments are knowledge intensive. For rapid product developments in today′s competitive global marketplace, we need tools to facilitate the effective utilization of critical design and manufacturing knowledge obtained during the previous product developments. The Internet technology has very rapidly evolved over past few years. The web is being increasingly used to support various activities of the pro duct development process. Java is a programming language that is highly tuned for the web environment. This paper is concerned with providing the solution of web based manufacturing process development. The architecture of web based application and the implementation of web based manufacturing process developer are discussed.

A quantitative method for sustainable product development

A quantitative measure-based method for the design and evaluation of sustainable products is proposed. The method uses multi-criteria in product design to meet sustainable requirements from qualitative criteria to quantitative metrics. The method integrates quality function deployment concepts with the life cycle assessment to establish a quantitative method for sustainable product development. It considers both customer needs and sustainable requirements by mapping these needs into design details using the axiomatic design and benchmarking methods. The method is applied in the wheelchair design. Four popular wheelchairs in the market are selected as benchmarks and are rated based on customer needs and sustainable criteria. The design matrix identifies the relationship of functional requirements and design parameters of the wheelchair. Compared to the best benchmark product, the proposed wheelchair can reduce costs by 13.8%, environment footprints 18.55%, mass 4.5%, and components 2.2%.

Personalization for Massive Product Innovation Using Open Architecture

Product innovation is creation of new concepts to plan and realize technological and functional details in the product to satisfy market and customer needs. One of the key drivers to product innovation is reactions of the product to users’ needs. Product innovation needs a cognitive design method based on needs of variant users for the product personalization. In this paper, an open concept is introduced to provide ways to meet user’s individual need in product lifespan. It is for industries to propose product concepts based on open sources, develop and support the product on the public capability. Using the open concept in the product architecture, called open?architecture product(OAP), can improve the product personalization leading to massive product innovation. To promote this promise of the OAP, effective methods are discussed for the OAP development. This paper introduces research on OAPs using adaptable design methods to meet product personalization. Adaptable design is based on the modular structure for product adaptability using function modules and adaptable interfaces. The proposed method provides solutions for planning modules and implementation of OAPs. Methods of OAP module planning, detail and interface design are described for transformation of product concepts into physical structures. A multiple?purpose electrical car is developed in a case study to show effectiveness of the proposed method.

Triple-Helix Structured Model Based on Problem-Knowledge-Solution Co-evolution for Innovative Product Design Process

A design problem with deficient information is generally described as wicked or ill-defined.The information insufficiency leaves designers with loose settings,free environments,and a lack of strict boundaries,which provides them with more opportunities to facilitate innovation.Therefore,to capture the opportunity behind the uncertainty of a design problem,this study models an innovative design as a composite solving process,where the problem is clarified and resolved from fuzziness to satisfying solutions by interplay among design problems,knowledge,and solutions.Additionally,a triple-helix structured model for the innovative product design process is proposed based on the co-evolution of the problem,solution,and knowledge spaces,to provide designers with a distinct design strategy and method for innovative design.The three spaces interact and co-evolve through iterative mappings,including problem structuring,knowledge expansion,and solution generation.The mappings carry the information processing and decision-making activities of the design,and create the path to satisfying solutions.Finally,a case study of a reactor coolant flow distribution device is presented to demonstrate the practicability of this model and the method for innovative product design.

MODIFIED GENETIC ALGORITHM APPLIED TO SOLVE PRODUCT FAMILY OPTIMIZATION PROBLEM

The product family design problem solved by evolutionary algorithms is discussed. A successful product family design method should achieve an optimal tradeoff among a set of competing objectives, which involves maximizing commonality across the family of products and optimizing the performances of each product in the family. A 2-level chromosome structured genetic algorithm （2LCGA） is proposed to solve this class of problems and its performance is analyzed in comparing its results with those obtained with other methods. By interpreting the chromosome as a 2-level linear structure, the variable commonality genetic algorithm （GA） is constructed to vary the amount of platform commonality and automatically searches across varying levels of commonality for the platform while trying to resolve the tradeoff between commonality and individual product performance within the product family during optimization process. By incorporating a commonality assessing index to the problem formulation, the 2LCGA optimize the product platform and its corresponding family of products in a single stage, which can yield improvements in the overall performance of the product family compared with two-stage approaches （the first stage involves determining the best settings for the platform variables and values of unique variables are found for each product in the second stage）. The scope of the algorithm is also expanded by introducing a classification mechanism to allow mul- tiple platforms to be considered during product family optimization, offering opportunities for superior overall design by more efficacious tradeoffs between commonality and performance. The effectiveness of 2LCGA is demonstrated through the design of a family of universal electric motors and comparison against previous results.

Design Theory and Method of Complex Products:A Review

Design is a high-level and complex thinking activity of human beings,using existing knowledge and technology to solve problems and create new things.With the rise and development of intelligent manufacturing,design has increasingly reflected its importance in the product life cycle.Firstly,the concept and connotation of complex product design is expounded systematically,and the different types of design are discussed.The four schools of design theory are introduced,including universal design,axiomatic design,TRIZ and general design.Then the research status of complex product design is analyzed,such as innovative design,digital design,modular design,reliability optimization design,etc.Finally,three key scientific issues worthy of research in the future are indicated,and five research trends of“newer,better,smarter,faster,and greener”are summarized,aiming to provide references for the equipment design and manufacturing industry.

Product design on the basis of fuzzy quality function deployment

In the implementation of quality function deployment （QFD）, the determination of the target values of engineering characteristics is a complex decision process with multiple variables and multiple objectives that should trade off, and optimize all kinds of conflicts and constraints. A fuzzy linear programming model （FLP） is proposed. On the basis of the inherent fuzziness of QFD system, triangular fuzzy numbers are used to represent all the relationships and correlations, and then, the functional relationships between the customer needs and engineering characteristics and the functional correlations among the engineering characteristics are determined with the information in the house of quality （HoQ） fully used. The fuzzy linear programming （FLP） model aims to find the optimal target values of the engineering characteristics to maximize the customer satisfaction. Finally, the proposed method is illustrated by a numerical example.

FuzEmotion as a Backward Kansei Engineering Tool

Kansei engineering, also known as k, unsei ergonomics or emotional engineering, aims at analysing and incorporating customer＇s feeling and demands into product function and product design. Founded in the late 1970＇s, kansei is now considered as a key consumer-oriented technology for new product development. This paper described a system called FuzEmotion for the purpose of assessing the kansei aspects of a product by considering design attributes of a product. Fuzzy logic is used to represent kansei words and process fuzzy input. The system has been successfully implemented to ascertain gender inclination of a mobile phone. Principal parameters of a mobile phone are considered, i.e., length, width, thickness, and mass. The system can inform gender inclination of a mobile phone with accuracy up to 76 %. This is based on a set of 92 mobile phone samples from the five major mobile phone manufacturers.

Estimating Hansen solubility parameters of organic pigments by group contribution methods

The Hansen solubility parameters(HSP)are frequently used for solvent selection and characterization of polymers,and are directly related to the suspension behavior of pigments in solvent mixtures.The performance of currently available group contribution(GC)methods for HSP were evaluated and found to be insufficient for computer-aided product design(CAPD)of paints and coatings.A revised and,for this purpose,improved GC method is presented for estimating HSP of organic compounds,intended for organic pigments.Due to the significant limitations of GC methods,an uncertainty analysis and parameter confidence intervals are provided in order to better quantify the estimation accuracy of the proposed approach.Compared to other applicable GC methods,the prediction error is reduced significantly with average absolute errors of 0.45 MPa^(1/2),1.35 MPa^(1/2),and 1.09 MPa^(1/2) for the partial dispersion(δD),polar(δP)and hydrogen-bonding(δH)solubility parameters respectively for a database of 1106 compounds.The performance for organic pigments is comparable to the overall method performance,with higher average errors forδD and lower average errors forδP andδH.

A product module mining method for PLM database

Modular technology can effectively support the rapid design of products, and it is one of the key technologies to realize mass customization design. With the application of product lifecycle management(PLM) system in enterprises, the product lifecycle data have been effectively managed. However, these data have not been fully utilized in module division, especially for complex machinery products. To solve this problem, a product module mining method for the PLM database is proposed to improve the effect of module division. Firstly, product data are extracted from the PLM database by data extraction algorithm. Then, data normalization and structure logical inspection are used to preprocess the extracted defective data. The preprocessed product data are analyzed and expressed in a matrix for module mining. Finally, the fuzzy c-means clustering(FCM) algorithm is used to generate product modules, which are stored in product module library after module marking and post-processing. The feasibility and effectiveness of the proposed method are verified by a case study of high pressure valve.

A Method for Solving Computer-Aided Product Design Optimization Problem Based on Back Propagation Neural Network

Because of the powerful mapping ability, back propagation neural network (BP-NN) has been employed in computer-aided product design (CAPD) to establish the property prediction model. The backward problem in CAPD is to search for the appropriate structure or composition of the product with desired property, which is an optimization problem. In this paper, a global optimization method of using the a BB algorithm to solve the backward problem is presented. In particular, a convex lower bounding function is constructed for the objective function formulated with BP-NN model, and the calculation of the key parameter a is implemented by recurring to the interval Hessian matrix of the objective function. Two case studies involving the design of dopamine β-hydroxylase (DβH) inhibitors and linear low density polyethylene (LLDPE) nano composites are investigated using the proposed method.

ADAPTABLE DESIGN IN PRODUCT DEVELOPMENT

A newly emerging design pattern, named as adaptable design （AD）, which aims at developing products that are adaptable from design to post-life cycle, is discussed. AD consists of four main phases： product modeling, design platform, specific design and product redesign. A new process-based design data model （PDDM） is presented which is organized according to the principles of convenient knowledge extraction, data representation, layout, sharing and reuse. Based on the PDDM, a universal design platform for product family development is established, which has characters of modularity, parameter-driven, variant design, etc. The framework of the platform is also proposed as a conceptual structure and overall logical organization for generating a family of products. AD methodology is successfully applied to develop a family of tunnel boring machine （TBM） for different engineering projects, with the efficiency of our developing team being greatly increased.

Intelligent Multilevel Knowledge Acquisition System for Product Design and Its Implementation

The characteristics of design process, design object and domain knowledge of complex product are analyzed. A kind of knowledge representation schema based on integrated generalized rule is stated. An AND-OR tree based model of concept for domain knowledge is set up. The strategy of multilevel domain knowledge acquisition based on the model is presented. The intelligent multilevel knowledge acquisition system (IMKAS) for product design is developed, and it is applied in the intelligent decision support system of concept design of complex product.