Due to the practical problems of the high costs and the long development cycle of China’s cabinet production,a computer-aided design method of the cabinet based on style imagery is proposed.According to the principle...Due to the practical problems of the high costs and the long development cycle of China’s cabinet production,a computer-aided design method of the cabinet based on style imagery is proposed.According to the principle of the conjoint analysis method, the rough set theory and the weight coefficient of different components of the cabinet,a multi-dimensional model of style imagery to evaluate the cabinet is built. Then the related constants of style imagery are calculated and the cabinet components library is also built by the three-dimensional modeling.Finally,with recombinant technology and the mapping model between cabinet style and external characteristics,the prototype system based on Visual Studio is proposed.This system actualizes the bidirectional reasoning between product style imagery and the shape features,which can assist designers to produce more creative designs,greatly improve the efficiency of cabinet development and increase the profits of companies.展开更多
The finite element analysis and the optimum design of aluminum profile extrusion mould were investigated using the ANSYS software and its parameterized modeling method. The optimum dimensions of the mould were obtaine...The finite element analysis and the optimum design of aluminum profile extrusion mould were investigated using the ANSYS software and its parameterized modeling method. The optimum dimensions of the mould were obtained. It is found that the stress distribution is very uneven, and the stress convergence is rather severe in the bridge of the aluminum profile extrusion mould. The optimum height of the mould is 70.527 mm, and the optimum radius of dividing holes are 70.182 mm and 80.663 mm. Increasing the height of the mould in the range of 61.282 mm to 70.422 mm can prolong its longevity, but when the height is over 70.422 mm, its longevity reduces.展开更多
Current formulation development strongly relies on trial-and-error experiments in the laboratory by pharmaceutical scientists,which is time-consuming,high cost and waste materials.This research aims to integrate vario...Current formulation development strongly relies on trial-and-error experiments in the laboratory by pharmaceutical scientists,which is time-consuming,high cost and waste materials.This research aims to integrate various computational tools,including machine learning,molecular dynamic simulation and physiologically based absorption modeling(PBAM),to enhance andrographolide(AG)/cyclodextrins(CDs)formulation design.The light GBM prediction model we built before was utilized to predict AG/CDs inclusion's binding free energy.AG/γ-CD inclusion complexes showed the strongest binding affinity,which was experimentally validated by the phase solubility study.The molecular dynamic simulation was used to investigate the inclusion mechanism between AG andγ-CD,which was experimentally characterized by DSC,FTIR and NMR techniques.PBAM was applied to simulate the in vivo behavior of the formulations,which were validated by cell and animal experiments.Cell experiments revealed that the presence of D-α-Tocopherol polyethylene glycol succinate(TPGS)significantly increased the intracellular uptake of AG in MDCKMDR1 cells and the absorptive transport of AG in MDCK-MDR1 monolayers.The relative bioavailability of the AG-CD-TPGS ternary system in rats was increased to 2.6-fold and 1.59-fold compared with crude AG and commercial dropping pills,respectively.In conclusion,this is the first time to integrate various computational tools to develop a new AG-CD-TPGS ternary formulation with significant improvement of aqueous solubility,dissolution rate and bioavailability.The integrated computational tool is a novel and robust methodology to facilitate pharmaceutical formulation design.展开更多
Thermodynamic and kinetic study on TRIP （transformation induced plasticity） steels, cemented carbides and mold steel for plastics were carried out in order to design modern advanced materials. With the sublattice mo...Thermodynamic and kinetic study on TRIP （transformation induced plasticity） steels, cemented carbides and mold steel for plastics were carried out in order to design modern advanced materials. With the sublattice model, equilibrium compositions of ferrite and austenite phases in TRIP steels, as well as volume fraction of austenite at inter-critical temperatures for different time were calculated. Concentration profiles of carbon, manganese, aluminum and silicon in the steels were also estimated in the lattice fixed frame of reference. The effect of Si and Mn on TRIP was discussed according to thermodynamic and kinetic analyses. In order to understand and produce the graded nanophase structure of cemented carbides, miscellaneous phases in the M-Co-C （M= Ti, Ta, Nh） systems and Co-V-C system were modeled. Solution parameters and thermodynamic： properties were listed in detail. The improvement of machining behavior of prehardened mould steel for plastics was obtained by computer-aided composition design. The results showed that the matrix composition of large-section prehardened mould steel for plastic markedly influences the precipitation of non-metallic inclusion and the composition control by the aid of Thermo-Calc software package minimizes the amount of detrimental oxide inclusion. In addition, the modification of calcium was optimized in composition design.展开更多
Suitable optimization and simulation were performed using a powerful software package with a mature database as well as modem measurement facilities, which led to the successful designing and manufacturing of advanced...Suitable optimization and simulation were performed using a powerful software package with a mature database as well as modem measurement facilities, which led to the successful designing and manufacturing of advanced steels. In the course of designing, the composition of a large section of prehardened mold steel for plastics was estimated so as to lower the quantities of oxide inclusions to change the type of carbides and to raise the machinability. The composition and process were adjusted to obtain satisfactory surface quality for the prevailing galvanization in transformation-induced plasticity （TRIP） steel. The refuting process of low-carbon steel was simulated in the light of both Thermo-Calc and Factsage. Thermodynamic and kinetic analyses were always conducted during the test and the procedure.展开更多
The general computer-aided design （CAD） software cannot meet the mould design requirement of the autoclave process for composites, because many parameters such as temperature and pressure should be considered in the...The general computer-aided design （CAD） software cannot meet the mould design requirement of the autoclave process for composites, because many parameters such as temperature and pressure should be considered in the mould design process, in addition to the material and geometry of the part. A framed-mould computer-aided design system （FMCAD） used in the autoclave moulding process is proposed in this paper. A function model of the software is presented, in which influence factors such as part structure, mould structure, and process parameters are considered; a design model of the software is established using object oriented （O-O） technology to integrate the stiffness calculation, temperature field calculation, and deformation field calculation of mould in the design, and in the design model, a hybrid model of mould based on calculation feature and form feature is presented to support those calculations. A prototype system is developed, in which a mould design process wizard is built to integrate the input information, calculation, analysis, data storage, display, and design results of mould design. Finally, three design examples are used to verify the prototype.展开更多
Fully human antibodies have minimal immunogenicity and safety profiles.At present,most potential antibody drugs in clinical trials are humanized or fully human.Human antibodies are mostly generated using the phage dis...Fully human antibodies have minimal immunogenicity and safety profiles.At present,most potential antibody drugs in clinical trials are humanized or fully human.Human antibodies are mostly generated using the phage display method(in vitro)or by transgenic mice(in vivo);other methods include B lymphocyte immortalization,human–human hybridoma,and single-cell polymerase chain reaction.Here,we describe a structure-based computer-aided de novo design technology for human antibody generation.Based on the complex structure of human epidermal growth factor receptor 2(HER2)/Herceptin,we first designed six short peptides targeting the potential epitope of HER2 recognized by Herceptin.Next,these peptides were set as complementarity determining regions in a suitable immunoglobulin frame,giving birth to a novel anti-HER2 antibody named "HF,"which possessed higher affinity and more effective anti-tumor activity than Herceptin.Our work offers a useful tool for the quick design and selection of novel human antibodies for basic mechanical research as well as for imaging and clinical applications in immune-related diseases,such as cancer and infectious diseases.展开更多
Summary： Preoperative planning of corrective osteotomy with traditional radiography has limitations in regards to determining the ideal osteotomy location and orientation in three-dimensional femoral de- formities. T...Summary： Preoperative planning of corrective osteotomy with traditional radiography has limitations in regards to determining the ideal osteotomy location and orientation in three-dimensional femoral de- formities. Though a successful operation can be planned preoperatively, intraoperative contingencies might adhere to the procedural plan in the performance of operation. To efficiently perform a planned procedure, proposed is a design to implement three-dimensional reconstruction photography, based on computer-tomography （CT） scan. A custom-made guide was designed to navigate the osteotomy as planned, and additionally, a personalized intramedullary nail was used for fixation after osteotomy. Three-dimensional （3D） photography of deformed femur was established based on the CT dataset and transferred into 3D photography processing software for further planning. Osteotomy planes were de- signed and adjusted at deformity sites to correct the 3D deformities. The methodology of a custom-made osteotomy guide was introduced in femoral corrective osteotomy, for the first time, to navigate the op- eration as planned. After the virtual osteotomy and reduction of bone segments, the parameters of a custom-made intramedullary nail were measured for manufacturing. Findings Virtual operation in computer shows complete correction of the 3D deformity. The osteotomy guide, obtained by rapid-prototyping techniques, navigates mimicking surgery on rapid-prototyping model of the involved femur as planned. Internal fixation was achieved using the custom-made intramedullary nail. Interpreta- tion three-dimensional visualization introduces an advantage in preoperative planning for corrective os- teotomy of 3D femoral deformity, and the custom-made osteotomy guide is crucial to realize such a de- liberate plan during the actual procedures. The internal fixator, such as an intramedullary nail, can be modified or personalized for fixation in unique cases.展开更多
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...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.展开更多
Computer-aided drug design (CADD) is an interdisciplinary subject, playing a pivotal role during new drug research and development, especially the discovery and optimization of lead compounds. Traditional Chinese Medi...Computer-aided drug design (CADD) is an interdisciplinary subject, playing a pivotal role during new drug research and development, especially the discovery and optimization of lead compounds. Traditional Chinese Medicine (TCM) modernization is the only way of TCM development and also an effective approach to the development of new drugs and the discovery of potential drug targets (PDTs). Discovery and validation of PTDs has become the “bottle-neck” restricted new drug research and development and is urgently solved. Innovative drug research is of great significance and bright prospects. This paper mainly discusses the “druggability” and specificity of PTDs, the “druglikeness” of drug candidates, the methods and technologies of the discovery and validation of PTDs and their application. It is very important to achieve the invention and innovation strategy “from gene to drug”. In virtue of modern high-new technology, especially CADD, combined with TCM theory, research and develop TCM and initiate an innovating way fitting our country progress. This paper mainly discusses CADD and their application to drug research, especially TCM modernization.展开更多
Membrane Bio Reactor (MBR) has been designed and simulation for the treatment of Chemical Oxygen Demand (COD), Total Suspended Solids (TSS), Total Organic Carbon (TOC), Total Dissolved Solid (TDS) and Oil/ Grease in p...Membrane Bio Reactor (MBR) has been designed and simulation for the treatment of Chemical Oxygen Demand (COD), Total Suspended Solids (TSS), Total Organic Carbon (TOC), Total Dissolved Solid (TDS) and Oil/ Grease in produced water at a capacity of 54.1778 kg/hr for removal of 95%-99% contaminants. The MBR design equations were developed using the law of conservation of mass to determine the dimensions and functional parameters. The developed performance equations were integrated numerically using fourth-order Runge-Kutta embedded in MATLAB computer program to determine the optimum range of values of the reactor functional dimensions and functional parameters. The effect of rate of energy supply per reactor volume and substrate specific rate constant on the capacity of the membrane bioreactor were investigated. Also, the effect of initial loading of substrate on Solid Retention Time (SRT) was also investigated. Results showed that kinetic parameters influenced the percentage removal of contaminants as Hydraulic Retention Time (HRT) and size of MBR decreased with increase in specific rate constant at fixed conversion of contaminants. Also, HRT and MBR size increased as the conversion of Chemical Oxygen Demand (COD) was increased, while increased in the ratio of energy supplied per volume resulted in decreased of MBR volume. The effect of initial loading of substrate on SRT showed that increased in substrate loading increased the retention time of the solid at fixed substrate conversion, while the conversion of substrate to microorganism increased as the solid retention time was increased. The increased in initial loading of substrate concentration increased the production of Mixed Liquor Suspended Solids (MLSS). Thus, the size of MBR required for the conversion of the investigated contaminants at the design percentage removal increased in the following order: oil/grease 3;0.98 and 4.68 m;and 1.38 and 6.62 at 95% and 99% respectively, while the SRT was 82.67 days.展开更多
BACKGROUND Computer-aided diagnosis(CAD)may assist endoscopists in identifying and classifying polyps during colonoscopy for detecting colorectal cancer.AIM To build a system using CAD to detect and classify polyps ba...BACKGROUND Computer-aided diagnosis(CAD)may assist endoscopists in identifying and classifying polyps during colonoscopy for detecting colorectal cancer.AIM To build a system using CAD to detect and classify polyps based on the Yamada classification.METHODS A total of 24045 polyp and 72367 nonpolyp images were obtained.We established a computer-aided detection and Yamada classification model based on the YOLOv7 neural network algorithm.Frame-based and image-based evaluation metrics were employed to assess the performance.RESULTS Computer-aided detection and Yamada classification screened polyps with a precision of 96.7%,a recall of 95.8%,and an F1-score of 96.2%,outperforming those of all groups of endoscopists.In regard to the Yamada classification of polyps,the CAD system displayed a precision of 82.3%,a recall of 78.5%,and an F1-score of 80.2%,outper-forming all levels of endoscopists.In addition,according to the image-based method,the CAD had an accuracy of 99.2%,a specificity of 99.5%,a sensitivity of 98.5%,a positive predictive value of 99.0%,a negative predictive value of 99.2%for polyp detection and an accuracy of 97.2%,a specificity of 98.4%,a sensitivity of 79.2%,a positive predictive value of 83.0%,and a negative predictive value of 98.4%for poly Yamada classification.CONCLUSION We developed a novel CAD system based on a deep neural network for polyp detection,and the Yamada classi-fication outperformed that of nonexpert endoscopists.This CAD system could help community-based hospitals enhance their effectiveness in polyp detection and classification.展开更多
Jaundice,common condition in newborns,is characterized by yellowing of the skin and eyes due to elevated levels of bilirubin in the blood.Timely detection and management of jaundice are crucial to prevent potential co...Jaundice,common condition in newborns,is characterized by yellowing of the skin and eyes due to elevated levels of bilirubin in the blood.Timely detection and management of jaundice are crucial to prevent potential complications.Traditional jaundice assessment methods rely on visual inspection or invasive blood tests that are subjective and painful for infants,respectively.Although several automated methods for jaundice detection have been developed during the past few years,a limited number of reviews consolidating these developments have been presented till date,making it essential to systematically evaluate and present the existing advancements.This paper fills this gap by providing a thorough survey of automated methods for jaundice detection in neonates.The primary focus of the survey is to review the existing methodologies,techniques,and technologies used for neonatal jaundice detection.The key findings from the review indicate that image-based bilirubinometers and transcutaneous bilirubinometers are promising non-invasive alternatives,and provide a good trade-off between accuracy and ease of use.However,their effectiveness varies with factors like skin pigmentation,gestational age,and measurement site.Spectroscopic and biosensor-based techniques show high sensitivity but need further clinical validation.Despite advancements,several challenges including device calibration,large-scale validation,and regulatory barriers still haunt the researchers.Standardization,regulatory compliances,and seamless integration into healthcare workflows are the key hurdles to be addressed.By consolidating the current knowledge and discussing the challenges and opportunities in this field,this survey aims to contribute to the advancement of automatic jaundice detection and ultimately improve neonatal care.展开更多
With the development of artificial intelligence technology,AI computer-aided diagnosis has found certain applications in the field of dermatology.However,due to the vast variety and complex manifestations of skin dise...With the development of artificial intelligence technology,AI computer-aided diagnosis has found certain applications in the field of dermatology.However,due to the vast variety and complex manifestations of skin diseases,the specific mechanisms underlying AI computer-aided diagnosis in this context still require further exploration.Therefore,this paper,based on the imaging characteristics of skin diseases,elucidates the technical principles of AI computer-aided diagnosis and analyzes the practical application effects of AI in the diagnostic process of skin diseases.This provides new data support and methodological foundations for clinical teaching and research on skin diseases.展开更多
Custom-made esthetic finger prostheses, which are used for rehabilitation of patients with missing or impaired fingers, have been fabricated manually. However, such fabrication is time-consuming and requires manual sk...Custom-made esthetic finger prostheses, which are used for rehabilitation of patients with missing or impaired fingers, have been fabricated manually. However, such fabrication is time-consuming and requires manual skill. Here we propose a computer-aided method for fabricating finger pros-theses to save time and allow fabrications that do not require considerable manual skill. In this method, the dimensions of a patient’s healthy finger on the contralateral hand are first measured using a caliper. Using these dimensions, a three-dimensional model is constructed for fabricating a prosthesis for the patient’s impaired finger. Using the 3D model, a mold is designed using 3D modeling tools and a computer-aided design system. The resulting mold is then fabricated using a 3D printer. A finger prosthesis is fabricated by pouring silicone resin into the mold. A finger prosthesis for a volunteer was experimentally fabricated according to the proposed method. To evaluate the size and shape of the finger prosthesis, the difference between the finger prosthesis and the original finger of the volunteer was analyzed. Because the average difference between them was 0.25 mm, it was concluded that the proposed method could be used to fabricate a finger prosthesis of adequate size and shape.展开更多
BACKGROUND Early detection of precancerous lesions is of vital importance for reducing the incidence and mortality of upper gastrointestinal(UGI)tract cancer.However,traditional endoscopy has certain limitations in de...BACKGROUND Early detection of precancerous lesions is of vital importance for reducing the incidence and mortality of upper gastrointestinal(UGI)tract cancer.However,traditional endoscopy has certain limitations in detecting precancerous lesions.In contrast,real-time computer-aided detection(CAD)systems enhanced by artificial intelligence(AI)systems,although they may increase unnecessary medical procedures,can provide immediate feedback during examination,thereby improving the accuracy of lesion detection.This article aims to conduct a meta-analysis of the diagnostic performance of CAD systems in identifying precancerous lesions of UGI tract cancer during esophagogastroduodenoscopy(EGD),evaluate their potential clinical application value,and determine the direction for further research.AIM To investigate the improvement of the efficiency of EGD examination by the realtime AI-enabled real-time CAD system(AI-CAD)system.METHODS PubMed,EMBASE,Web of Science and Cochrane Library databases were searched by two independent reviewers to retrieve literature with per-patient analysis with a deadline up until April 2025.A meta-analysis was performed with R Studio software(R4.5.0).A random-effects model was used and subgroup analysis was carried out to identify possible sources of heterogeneity.RESULTS The initial search identified 802 articles.According to the inclusion criteria,2113 patients from 10 studies were included in this meta-analysis.The pooled accuracy difference,logarithmic difference of diagnostic odds ratios,sensitivity,specificity and the area under the summary receiver operating characteristic curve(area under the curve)of both AI group and endoscopist group for detecting precancerous lesion were 0.16(95%CI:0.12-0.20),-0.19(95%CI:-0.75-0.37),0.89(95%CI:0.85-0.92,AI group),0.67(95%CI:0.63-0.71,endoscopist group),0.89(95%CI:0.84-0.93,AI group),0.77(95%CI:0.70-0.83,endoscopist group),0.928(95%CI:0.841-0.948,AI group),0.722(95%CI:0.677-0.821,endoscopist group),respectively.CONCLUSION The present studies further provide evidence that the AI-CAD is a reliable endoscopic diagnostic tool that can be used to assist endoscopists in detection of precancerous lesions in the UGI tract.It may be introduced on a large scale for clinical application to enhance the accuracy of detecting precancerous lesions in the UGI tract.展开更多
The article is to study the development of computer-aided design of X-ray microtomography—the device for investigating the structure and construction of three-dimensional images of organic and inorganic objects on th...The article is to study the development of computer-aided design of X-ray microtomography—the device for investigating the structure and construction of three-dimensional images of organic and inorganic objects on the basis of shadow projections. This article provides basic information regarding CAD of X-ray microtomography and a scheme consisting of three levels. The article also shows basic relations of X-ray computed tomography, the generalized scheme of an X-ray microtomographic scanner. The methods of X-ray imaging of the spatial microstructure and morphometry of materials are described. The main characteristics of an X-ray microtomographic scanner, the X-ray source, X-ray optical elements and mechanical components of the positioning system are shown. The block scheme and software functional scheme for intelligent neural network system of analysis of the internal microstructure of objects are presented. The method of choice of design parameters of CAD of X-ray microtomography aims at improving the quality of design and reducing costs of it. It is supposed to reduce the design time and eliminate the growing number of engineers involved in development and construction of X-ray microtomographic scanners.展开更多
The paper gives a detail analysis on the necessity of rapid hydraulic support design, and presents a computer-aided rapid variant design system for hydraulic support. The system integrates the type selection and embod...The paper gives a detail analysis on the necessity of rapid hydraulic support design, and presents a computer-aided rapid variant design system for hydraulic support. The system integrates the type selection and embodiment design of hydraulic support. Case-based reasoning and rule-based reasoning are the main reasoning methods. Several crucial problems are discussed.展开更多
In the present research,we describe a computer-aided detection(CAD)method aimed at automatic fetal head circumference(HC)measurement in 2D ultrasonography pictures during all trimesters of pregnancy.The HC might be ut...In the present research,we describe a computer-aided detection(CAD)method aimed at automatic fetal head circumference(HC)measurement in 2D ultrasonography pictures during all trimesters of pregnancy.The HC might be utilized toward determining gestational age and tracking fetal development.This automated approach is particularly valuable in low-resource settings where access to trained sonographers is limited.The CAD system is divided into two steps:to begin,Haar-like characteristics were extracted from ultrasound pictures in order to train a classifier using random forests to find the fetal skull.We identified the HC using dynamic programming,an elliptical fit,and a Hough transform.The computer-aided detection(CAD)program was well-trained on 999 pictures(HC18 challenge data source),and then verified on 335 photos from all trimesters in an independent test set.A skilled sonographer and an expert in medicine personally marked the test set.We used the crown-rump length(CRL)measurement to calculate the reference gestational age(GA).In the first,second,and third trimesters,the median difference between the standard GA and the GA calculated by the skilled sonographer stayed at 0.7±2.7,0.0±4.5,and 2.0±12.0 days,respectively.The regular duration variance between the baseline GA and the health investigator’s GA remained 1.5±3.0,1.9±5.0,and 4.0±14 a couple of days.The mean variance between the standard GA and the CAD system’s GA remained between 0.5 and 5.0,with an additional variation of 2.9 to 12.5 days.The outcomes reveal that the computer-aided detection(CAD)program outperforms an expert sonographer.When paired with the classifications reported in the literature,the provided system achieves results that are comparable or even better.We have assessed and scheduled this computerized approach for HC evaluation,which includes information from all trimesters of gestation.展开更多
基金The National Natural Science Foundation of China(No.71271053)the Scientific Innovation Research of College Graduates in Jiangsu Province(No.CXLX13_082)
文摘Due to the practical problems of the high costs and the long development cycle of China’s cabinet production,a computer-aided design method of the cabinet based on style imagery is proposed.According to the principle of the conjoint analysis method, the rough set theory and the weight coefficient of different components of the cabinet,a multi-dimensional model of style imagery to evaluate the cabinet is built. Then the related constants of style imagery are calculated and the cabinet components library is also built by the three-dimensional modeling.Finally,with recombinant technology and the mapping model between cabinet style and external characteristics,the prototype system based on Visual Studio is proposed.This system actualizes the bidirectional reasoning between product style imagery and the shape features,which can assist designers to produce more creative designs,greatly improve the efficiency of cabinet development and increase the profits of companies.
文摘The finite element analysis and the optimum design of aluminum profile extrusion mould were investigated using the ANSYS software and its parameterized modeling method. The optimum dimensions of the mould were obtained. It is found that the stress distribution is very uneven, and the stress convergence is rather severe in the bridge of the aluminum profile extrusion mould. The optimum height of the mould is 70.527 mm, and the optimum radius of dividing holes are 70.182 mm and 80.663 mm. Increasing the height of the mould in the range of 61.282 mm to 70.422 mm can prolong its longevity, but when the height is over 70.422 mm, its longevity reduces.
基金financially supported by the FDCT Project 0029/2018/A1the University of Macao Research Grants(MYRG2019-00041-ICMS)performed in part at the High-Performance Computing Cluster(HPCC)which is supported by Information and Communication Technology Office(ICTO)of the University of Macao。
文摘Current formulation development strongly relies on trial-and-error experiments in the laboratory by pharmaceutical scientists,which is time-consuming,high cost and waste materials.This research aims to integrate various computational tools,including machine learning,molecular dynamic simulation and physiologically based absorption modeling(PBAM),to enhance andrographolide(AG)/cyclodextrins(CDs)formulation design.The light GBM prediction model we built before was utilized to predict AG/CDs inclusion's binding free energy.AG/γ-CD inclusion complexes showed the strongest binding affinity,which was experimentally validated by the phase solubility study.The molecular dynamic simulation was used to investigate the inclusion mechanism between AG andγ-CD,which was experimentally characterized by DSC,FTIR and NMR techniques.PBAM was applied to simulate the in vivo behavior of the formulations,which were validated by cell and animal experiments.Cell experiments revealed that the presence of D-α-Tocopherol polyethylene glycol succinate(TPGS)significantly increased the intracellular uptake of AG in MDCKMDR1 cells and the absorptive transport of AG in MDCK-MDR1 monolayers.The relative bioavailability of the AG-CD-TPGS ternary system in rats was increased to 2.6-fold and 1.59-fold compared with crude AG and commercial dropping pills,respectively.In conclusion,this is the first time to integrate various computational tools to develop a new AG-CD-TPGS ternary formulation with significant improvement of aqueous solubility,dissolution rate and bioavailability.The integrated computational tool is a novel and robust methodology to facilitate pharmaceutical formulation design.
文摘Thermodynamic and kinetic study on TRIP （transformation induced plasticity） steels, cemented carbides and mold steel for plastics were carried out in order to design modern advanced materials. With the sublattice model, equilibrium compositions of ferrite and austenite phases in TRIP steels, as well as volume fraction of austenite at inter-critical temperatures for different time were calculated. Concentration profiles of carbon, manganese, aluminum and silicon in the steels were also estimated in the lattice fixed frame of reference. The effect of Si and Mn on TRIP was discussed according to thermodynamic and kinetic analyses. In order to understand and produce the graded nanophase structure of cemented carbides, miscellaneous phases in the M-Co-C （M= Ti, Ta, Nh） systems and Co-V-C system were modeled. Solution parameters and thermodynamic： properties were listed in detail. The improvement of machining behavior of prehardened mould steel for plastics was obtained by computer-aided composition design. The results showed that the matrix composition of large-section prehardened mould steel for plastic markedly influences the precipitation of non-metallic inclusion and the composition control by the aid of Thermo-Calc software package minimizes the amount of detrimental oxide inclusion. In addition, the modification of calcium was optimized in composition design.
基金The study was financially supported by the key project of Science and Technology Commission of Shanghai Local Gov-ernment (No. 015211010), the National Natural Science Foundation of China (No. 50171038) and the China-Belgium bi-lateral project (No. 2001-242).
文摘Suitable optimization and simulation were performed using a powerful software package with a mature database as well as modem measurement facilities, which led to the successful designing and manufacturing of advanced steels. In the course of designing, the composition of a large section of prehardened mold steel for plastics was estimated so as to lower the quantities of oxide inclusions to change the type of carbides and to raise the machinability. The composition and process were adjusted to obtain satisfactory surface quality for the prevailing galvanization in transformation-induced plasticity （TRIP） steel. The refuting process of low-carbon steel was simulated in the light of both Thermo-Calc and Factsage. Thermodynamic and kinetic analyses were always conducted during the test and the procedure.
文摘The general computer-aided design （CAD） software cannot meet the mould design requirement of the autoclave process for composites, because many parameters such as temperature and pressure should be considered in the mould design process, in addition to the material and geometry of the part. A framed-mould computer-aided design system （FMCAD） used in the autoclave moulding process is proposed in this paper. A function model of the software is presented, in which influence factors such as part structure, mould structure, and process parameters are considered; a design model of the software is established using object oriented （O-O） technology to integrate the stiffness calculation, temperature field calculation, and deformation field calculation of mould in the design, and in the design model, a hybrid model of mould based on calculation feature and form feature is presented to support those calculations. A prototype system is developed, in which a mould design process wizard is built to integrate the input information, calculation, analysis, data storage, display, and design results of mould design. Finally, three design examples are used to verify the prototype.
基金This work was supported by grants from the National Sciences Fund(31370938 and 81272528)The Fund(81272528)offered experiment material and collected the data for analysisThe Fund(31370938)helped design the study and was helpful in preparing the manuscript.
文摘Fully human antibodies have minimal immunogenicity and safety profiles.At present,most potential antibody drugs in clinical trials are humanized or fully human.Human antibodies are mostly generated using the phage display method(in vitro)or by transgenic mice(in vivo);other methods include B lymphocyte immortalization,human–human hybridoma,and single-cell polymerase chain reaction.Here,we describe a structure-based computer-aided de novo design technology for human antibody generation.Based on the complex structure of human epidermal growth factor receptor 2(HER2)/Herceptin,we first designed six short peptides targeting the potential epitope of HER2 recognized by Herceptin.Next,these peptides were set as complementarity determining regions in a suitable immunoglobulin frame,giving birth to a novel anti-HER2 antibody named "HF,"which possessed higher affinity and more effective anti-tumor activity than Herceptin.Our work offers a useful tool for the quick design and selection of novel human antibodies for basic mechanical research as well as for imaging and clinical applications in immune-related diseases,such as cancer and infectious diseases.
基金supported by grants from the National Natural Science Foundation of China (No. 81141022)the General Hospital of Chinese Liberation Army (No. 10KMM09)
文摘Summary： Preoperative planning of corrective osteotomy with traditional radiography has limitations in regards to determining the ideal osteotomy location and orientation in three-dimensional femoral de- formities. Though a successful operation can be planned preoperatively, intraoperative contingencies might adhere to the procedural plan in the performance of operation. To efficiently perform a planned procedure, proposed is a design to implement three-dimensional reconstruction photography, based on computer-tomography （CT） scan. A custom-made guide was designed to navigate the osteotomy as planned, and additionally, a personalized intramedullary nail was used for fixation after osteotomy. Three-dimensional （3D） photography of deformed femur was established based on the CT dataset and transferred into 3D photography processing software for further planning. Osteotomy planes were de- signed and adjusted at deformity sites to correct the 3D deformities. The methodology of a custom-made osteotomy guide was introduced in femoral corrective osteotomy, for the first time, to navigate the op- eration as planned. After the virtual osteotomy and reduction of bone segments, the parameters of a custom-made intramedullary nail were measured for manufacturing. Findings Virtual operation in computer shows complete correction of the 3D deformity. The osteotomy guide, obtained by rapid-prototyping techniques, navigates mimicking surgery on rapid-prototyping model of the involved femur as planned. Internal fixation was achieved using the custom-made intramedullary nail. Interpreta- tion three-dimensional visualization introduces an advantage in preoperative planning for corrective os- teotomy of 3D femoral deformity, and the custom-made osteotomy guide is crucial to realize such a de- liberate plan during the actual procedures. The internal fixator, such as an intramedullary nail, can be modified or personalized for fixation in unique cases.
文摘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.
文摘Computer-aided drug design (CADD) is an interdisciplinary subject, playing a pivotal role during new drug research and development, especially the discovery and optimization of lead compounds. Traditional Chinese Medicine (TCM) modernization is the only way of TCM development and also an effective approach to the development of new drugs and the discovery of potential drug targets (PDTs). Discovery and validation of PTDs has become the “bottle-neck” restricted new drug research and development and is urgently solved. Innovative drug research is of great significance and bright prospects. This paper mainly discusses the “druggability” and specificity of PTDs, the “druglikeness” of drug candidates, the methods and technologies of the discovery and validation of PTDs and their application. It is very important to achieve the invention and innovation strategy “from gene to drug”. In virtue of modern high-new technology, especially CADD, combined with TCM theory, research and develop TCM and initiate an innovating way fitting our country progress. This paper mainly discusses CADD and their application to drug research, especially TCM modernization.
文摘Membrane Bio Reactor (MBR) has been designed and simulation for the treatment of Chemical Oxygen Demand (COD), Total Suspended Solids (TSS), Total Organic Carbon (TOC), Total Dissolved Solid (TDS) and Oil/ Grease in produced water at a capacity of 54.1778 kg/hr for removal of 95%-99% contaminants. The MBR design equations were developed using the law of conservation of mass to determine the dimensions and functional parameters. The developed performance equations were integrated numerically using fourth-order Runge-Kutta embedded in MATLAB computer program to determine the optimum range of values of the reactor functional dimensions and functional parameters. The effect of rate of energy supply per reactor volume and substrate specific rate constant on the capacity of the membrane bioreactor were investigated. Also, the effect of initial loading of substrate on Solid Retention Time (SRT) was also investigated. Results showed that kinetic parameters influenced the percentage removal of contaminants as Hydraulic Retention Time (HRT) and size of MBR decreased with increase in specific rate constant at fixed conversion of contaminants. Also, HRT and MBR size increased as the conversion of Chemical Oxygen Demand (COD) was increased, while increased in the ratio of energy supplied per volume resulted in decreased of MBR volume. The effect of initial loading of substrate on SRT showed that increased in substrate loading increased the retention time of the solid at fixed substrate conversion, while the conversion of substrate to microorganism increased as the solid retention time was increased. The increased in initial loading of substrate concentration increased the production of Mixed Liquor Suspended Solids (MLSS). Thus, the size of MBR required for the conversion of the investigated contaminants at the design percentage removal increased in the following order: oil/grease 3;0.98 and 4.68 m;and 1.38 and 6.62 at 95% and 99% respectively, while the SRT was 82.67 days.
基金Supported by Science and Technology Projects in Guangzhou,No.2023A04J2282。
文摘BACKGROUND Computer-aided diagnosis(CAD)may assist endoscopists in identifying and classifying polyps during colonoscopy for detecting colorectal cancer.AIM To build a system using CAD to detect and classify polyps based on the Yamada classification.METHODS A total of 24045 polyp and 72367 nonpolyp images were obtained.We established a computer-aided detection and Yamada classification model based on the YOLOv7 neural network algorithm.Frame-based and image-based evaluation metrics were employed to assess the performance.RESULTS Computer-aided detection and Yamada classification screened polyps with a precision of 96.7%,a recall of 95.8%,and an F1-score of 96.2%,outperforming those of all groups of endoscopists.In regard to the Yamada classification of polyps,the CAD system displayed a precision of 82.3%,a recall of 78.5%,and an F1-score of 80.2%,outper-forming all levels of endoscopists.In addition,according to the image-based method,the CAD had an accuracy of 99.2%,a specificity of 99.5%,a sensitivity of 98.5%,a positive predictive value of 99.0%,a negative predictive value of 99.2%for polyp detection and an accuracy of 97.2%,a specificity of 98.4%,a sensitivity of 79.2%,a positive predictive value of 83.0%,and a negative predictive value of 98.4%for poly Yamada classification.CONCLUSION We developed a novel CAD system based on a deep neural network for polyp detection,and the Yamada classi-fication outperformed that of nonexpert endoscopists.This CAD system could help community-based hospitals enhance their effectiveness in polyp detection and classification.
基金funded by the Indian Council of Medical Research(ICMR),New Delhi,Government of India under Grant No.EM/SG/Dev.Res/124/0812-2023.
文摘Jaundice,common condition in newborns,is characterized by yellowing of the skin and eyes due to elevated levels of bilirubin in the blood.Timely detection and management of jaundice are crucial to prevent potential complications.Traditional jaundice assessment methods rely on visual inspection or invasive blood tests that are subjective and painful for infants,respectively.Although several automated methods for jaundice detection have been developed during the past few years,a limited number of reviews consolidating these developments have been presented till date,making it essential to systematically evaluate and present the existing advancements.This paper fills this gap by providing a thorough survey of automated methods for jaundice detection in neonates.The primary focus of the survey is to review the existing methodologies,techniques,and technologies used for neonatal jaundice detection.The key findings from the review indicate that image-based bilirubinometers and transcutaneous bilirubinometers are promising non-invasive alternatives,and provide a good trade-off between accuracy and ease of use.However,their effectiveness varies with factors like skin pigmentation,gestational age,and measurement site.Spectroscopic and biosensor-based techniques show high sensitivity but need further clinical validation.Despite advancements,several challenges including device calibration,large-scale validation,and regulatory barriers still haunt the researchers.Standardization,regulatory compliances,and seamless integration into healthcare workflows are the key hurdles to be addressed.By consolidating the current knowledge and discussing the challenges and opportunities in this field,this survey aims to contribute to the advancement of automatic jaundice detection and ultimately improve neonatal care.
文摘With the development of artificial intelligence technology,AI computer-aided diagnosis has found certain applications in the field of dermatology.However,due to the vast variety and complex manifestations of skin diseases,the specific mechanisms underlying AI computer-aided diagnosis in this context still require further exploration.Therefore,this paper,based on the imaging characteristics of skin diseases,elucidates the technical principles of AI computer-aided diagnosis and analyzes the practical application effects of AI in the diagnostic process of skin diseases.This provides new data support and methodological foundations for clinical teaching and research on skin diseases.
文摘Custom-made esthetic finger prostheses, which are used for rehabilitation of patients with missing or impaired fingers, have been fabricated manually. However, such fabrication is time-consuming and requires manual skill. Here we propose a computer-aided method for fabricating finger pros-theses to save time and allow fabrications that do not require considerable manual skill. In this method, the dimensions of a patient’s healthy finger on the contralateral hand are first measured using a caliper. Using these dimensions, a three-dimensional model is constructed for fabricating a prosthesis for the patient’s impaired finger. Using the 3D model, a mold is designed using 3D modeling tools and a computer-aided design system. The resulting mold is then fabricated using a 3D printer. A finger prosthesis is fabricated by pouring silicone resin into the mold. A finger prosthesis for a volunteer was experimentally fabricated according to the proposed method. To evaluate the size and shape of the finger prosthesis, the difference between the finger prosthesis and the original finger of the volunteer was analyzed. Because the average difference between them was 0.25 mm, it was concluded that the proposed method could be used to fabricate a finger prosthesis of adequate size and shape.
文摘BACKGROUND Early detection of precancerous lesions is of vital importance for reducing the incidence and mortality of upper gastrointestinal(UGI)tract cancer.However,traditional endoscopy has certain limitations in detecting precancerous lesions.In contrast,real-time computer-aided detection(CAD)systems enhanced by artificial intelligence(AI)systems,although they may increase unnecessary medical procedures,can provide immediate feedback during examination,thereby improving the accuracy of lesion detection.This article aims to conduct a meta-analysis of the diagnostic performance of CAD systems in identifying precancerous lesions of UGI tract cancer during esophagogastroduodenoscopy(EGD),evaluate their potential clinical application value,and determine the direction for further research.AIM To investigate the improvement of the efficiency of EGD examination by the realtime AI-enabled real-time CAD system(AI-CAD)system.METHODS PubMed,EMBASE,Web of Science and Cochrane Library databases were searched by two independent reviewers to retrieve literature with per-patient analysis with a deadline up until April 2025.A meta-analysis was performed with R Studio software(R4.5.0).A random-effects model was used and subgroup analysis was carried out to identify possible sources of heterogeneity.RESULTS The initial search identified 802 articles.According to the inclusion criteria,2113 patients from 10 studies were included in this meta-analysis.The pooled accuracy difference,logarithmic difference of diagnostic odds ratios,sensitivity,specificity and the area under the summary receiver operating characteristic curve(area under the curve)of both AI group and endoscopist group for detecting precancerous lesion were 0.16(95%CI:0.12-0.20),-0.19(95%CI:-0.75-0.37),0.89(95%CI:0.85-0.92,AI group),0.67(95%CI:0.63-0.71,endoscopist group),0.89(95%CI:0.84-0.93,AI group),0.77(95%CI:0.70-0.83,endoscopist group),0.928(95%CI:0.841-0.948,AI group),0.722(95%CI:0.677-0.821,endoscopist group),respectively.CONCLUSION The present studies further provide evidence that the AI-CAD is a reliable endoscopic diagnostic tool that can be used to assist endoscopists in detection of precancerous lesions in the UGI tract.It may be introduced on a large scale for clinical application to enhance the accuracy of detecting precancerous lesions in the UGI tract.
文摘The article is to study the development of computer-aided design of X-ray microtomography—the device for investigating the structure and construction of three-dimensional images of organic and inorganic objects on the basis of shadow projections. This article provides basic information regarding CAD of X-ray microtomography and a scheme consisting of three levels. The article also shows basic relations of X-ray computed tomography, the generalized scheme of an X-ray microtomographic scanner. The methods of X-ray imaging of the spatial microstructure and morphometry of materials are described. The main characteristics of an X-ray microtomographic scanner, the X-ray source, X-ray optical elements and mechanical components of the positioning system are shown. The block scheme and software functional scheme for intelligent neural network system of analysis of the internal microstructure of objects are presented. The method of choice of design parameters of CAD of X-ray microtomography aims at improving the quality of design and reducing costs of it. It is supposed to reduce the design time and eliminate the growing number of engineers involved in development and construction of X-ray microtomographic scanners.
文摘The paper gives a detail analysis on the necessity of rapid hydraulic support design, and presents a computer-aided rapid variant design system for hydraulic support. The system integrates the type selection and embodiment design of hydraulic support. Case-based reasoning and rule-based reasoning are the main reasoning methods. Several crucial problems are discussed.
文摘In the present research,we describe a computer-aided detection(CAD)method aimed at automatic fetal head circumference(HC)measurement in 2D ultrasonography pictures during all trimesters of pregnancy.The HC might be utilized toward determining gestational age and tracking fetal development.This automated approach is particularly valuable in low-resource settings where access to trained sonographers is limited.The CAD system is divided into two steps:to begin,Haar-like characteristics were extracted from ultrasound pictures in order to train a classifier using random forests to find the fetal skull.We identified the HC using dynamic programming,an elliptical fit,and a Hough transform.The computer-aided detection(CAD)program was well-trained on 999 pictures(HC18 challenge data source),and then verified on 335 photos from all trimesters in an independent test set.A skilled sonographer and an expert in medicine personally marked the test set.We used the crown-rump length(CRL)measurement to calculate the reference gestational age(GA).In the first,second,and third trimesters,the median difference between the standard GA and the GA calculated by the skilled sonographer stayed at 0.7±2.7,0.0±4.5,and 2.0±12.0 days,respectively.The regular duration variance between the baseline GA and the health investigator’s GA remained 1.5±3.0,1.9±5.0,and 4.0±14 a couple of days.The mean variance between the standard GA and the CAD system’s GA remained between 0.5 and 5.0,with an additional variation of 2.9 to 12.5 days.The outcomes reveal that the computer-aided detection(CAD)program outperforms an expert sonographer.When paired with the classifications reported in the literature,the provided system achieves results that are comparable or even better.We have assessed and scheduled this computerized approach for HC evaluation,which includes information from all trimesters of gestation.
