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.

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.

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.

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.

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.

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.

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.

Special Issue on Innovative Design of Complex Products

With the development of science and technology as well as the diversification and individualization of market demand,modern products update more and more rapidly.e rapid development of new products to satisfy the increasingly improved and personalized customer demands greatly depends on the progress in the innovative design theory and performance optimization

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.

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.

The Creative Design Research of Product Appearance Based on Human-machine Interaction and Interface

Today’s product creative design has rendered many fe atures and has brought a great change in our everyday life, there are many new c hallenges in its traditional theory and principle. According to the traditional design theory, the FBS design model pays more attention to the function and stru cture of the product. But this model still couldn’t strengthen the relation bet ween product appearance design and human-machine design effectively. This paper adopt converse design thinking and presents an improved design thinking methodo logy based on C: FBS for product appearance design and give a general summarizat ion for the features, methods and technology based on human-machine interaction and interface. Meanwhile it also combines with the behavior design of product r elated IT fields and constructs a new outline to improve the design of product a ppearance supported by the technology of computer aided design. So the new metho d about design thinking for computer aided design, the new abstract product design model and the key problem of design thinking based on human-machine inte raction and interface are addressed in this paper. This kind of creative design theory that is driven by human-machine interaction and interface will help the development of CAD software system and the research of product design and manufa cture. Additionally, this paper gives some beneficial characters to address the theory based on human-machine interaction and interface. Meanwhile, combining with the developing of computer technology, the trends of design thinking based on t he technology of human-machine interaction and interface are also analyzed and discussed at the end of this paper.

Designing Visceral, Behavioural and Reflective Products

Designers and manufacturers often see con- sumption as the primary objective of a product - with implications such as discarded products, obsolete wastes, and ecological degradation. The paper aims to find the answer to the question, how emotional design can adapt the discarded and undesirable products into something valu- able in a long term？ This paper presents a framework combining Chapman＇s theory and Norman＇s theory on three levels of emotional design to highlight what long lasting connection with products entails. A design approach is presented combing the Wabi Sabi philosophy that pro- motes the celebration of decay and damage. This is used as one of the design principles for the experiments conducted on discarded products. Through constant user interaction before, during and after the experiments the evaluation of design as an agent of transformation is done. The user conducted the evaluation based on the Kansei elements of looks, sound, smell, and feel of the product. The experi- ments confirmed that a long-term value is only achieved through redesigning and reconstructing the perception of people towards products on a reflective level, rather than the visceral and behavioural elements of the product. The research found attachment to the visceral and behavioural elements of a product instead of an emotional one was causing users to discard products faster than required. The research indicated that many people, including designers and manufacturers, are unconsciously focusing on usability （behavioural level） and physical look （visceral level） of a product that are easily replaced, than on a meaningful way （reflective level） to create and maintain long-lasting emo- tions. The research concluded with a proposition towards digitization of products which could perhaps be an all round solution to make products more appropriate to human emotions. Digitization could give products the ability to capture, store and then communicate the stories, journey and memories back, in order to empower people to understand the value of longer-term use of products.

Study on Knowledge Representation and Reasoning for Design of Serialized Product

In order to apply the knowledge based engineering to solve the low efficiency of serialized design,by analyzing the top-down design characteristics,a composite representation method for the design knowledge is proposed.The object-knowledge is expressed by framework,and the construction principles of the framework are given,the design knowledge element is used to express the process-knowledge.Then the knowledge reasoning model for design decision-making is established.Finally,a case shows that the proposed method and model are effective.

Product Data Model for Performance-driven Design

When designing large-sized complex machinery products, the design focus is always on the overall per- formance; however, there exist no design theory and method based on performance driven. In view of the defi- ciency of the existing design theory, according to the performance features of complex mechanical products, the performance indices are introduced into the traditional design theory of ＂Requirement-Function-Structure＂ to construct a new five-domain design theory of ＂Client Requirement-Function-Performance-Structure-Design Parameter＂. To support design practice based on this new theory, a product data model is established by using per- formance indices and the mapping relationship between them and the other four domains. When the product data model is applied to high-speed train design and combining the existing research result and relevant standards, the corresponding data model and its structure involving five domains of high-speed trains are established, which can provide technical support for studying the relationships between typical performance indices and design parame- ters and the fast achievement of a high-speed train scheme design. The five domains provide a reference for the design specification and evaluation criteria of high speed train and a new idea for the train＇s parameter design.

INTELLIGENT MECHANISM TO SUPPORT DFX ABILITIES IN AUTOMATED DESIGNER'S ENVIRONMENT

The paper aims at providing a computerized design environment to support product design practically. The authors solved this problem by taking the product life-cycle issues into consideration as more as possible during the design process from the designer-oriented perspective of view. Design for X-abilities (DFX) is an effective approach to this philosophy. So the paper mainly presents the infrastructure of an intelligent DFX mechanism which is the essential part of the developed product design environment. At first the designer-oriented computer environment DesignerSpace is introduced for understanding the designer how to implement design activities and DFX method better. In order to integrate design knowledge from downstream aspects for the optimization and the design decision-making, an intelligent DFX mechanism is developed to incorporate knowledge base, algorithm-base and monitoring/debugging tools. DesignerSpace is implemented with DFX abilities and applied to the blisk design of aircraft engine and the further development is strongly intended.

A Case Retrieval Projection Pursuit Model for Configuration Design of a Product Family

The paper studies on case-based reasoning of uncertain product attributes in configuration design of a product family. Interval numbers characterize uncertain product attributes. By interpolating a number of certain values randomly to replace interval numbers and making projection pursuit analysis on source cases and target cases of expanded numbers, we can get a projection value in the optimal projection direction. Based on projection value, we can construct a case retrieval model of projection pursuit that can handle coexisting certain and uncertain product attributes. The application examples of chainsaw configuration design show that case retrieval is highly sensitive to reliable results.

Atomic Force Microscopy Measurement in the Lignosulfonate/Inorganic Silica System:From Dispersion Mechanism Study to Product Design

Designing and preparing high-performance lignin-based dispersants are crucial steps in realizing the value-added utilization of lignin on an industrial scale.Such process depends heavily on an understanding of the dispersion mechanism of lignin-based dispersants.Here,atomic force microscopy(AFM)is employed to quantitatively investigate the dispersion mechanism of a lignosulfonate/silica(LS/SiO_(2))system under different pH conditions.The results show that the repulsive force between SiO_(2)particles in LS solution is stronger than it is in water,resulting in better dispersion stability.The Derjaguin–Landau–Verwey–Overbeek(DLVO)formula as well as the DLVO formula combined with steric repulsion is utilized for the fitting of the AFM force/distance(F/D)curves between the SiO_(2)probe and substrate in water and in LS solution.Based on these fitting results,electrostatic and steric repulsive forces are respectively calculated,yielding further evidence that LS provides strong steric repulsion between SiO_(2)particles.Further studies indicate that the adsorbance of LS on SiO_(2)(Q),the normalized interaction constant(A),and the characteristic length(L)are the three critical factors affecting steric repulsion in the LS/SiO_(2)system.Based on the above conclusions,a novel quaternized grafted-sulfonation lignin(QAGSL)dispersant is designed and prepared.The QAGSL dispersant exhibits good dispersing performance for SiO_(2)and real cement particles.This work provides a fundamental and quantitative understanding of the dispersion mechanism in the LS/inorganic particle system and provides important guidance for the development of high-performance lignin-based dispersants.