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Energy and AI 2024年第1期15卷 102-135页

作者： Junghwan Lee Huanli Sun Yongshan liu xue Li First Automobile Works Group Corporation Research and Development Center No.1 Xinhongqi StreetChangchun130013JilinChina

Accurate prediction of the remaining useful life(RUL)of lithium-ion batteries(LIBs)is pivotal for enhancing their operational efficiency and safety in diverse *** operational advantages,precise RUL predictions can also expedite advancements in cell design and fast-charging methodologies,thereby reducing cycle testing *** artificial neural networks(ANNs)showing promise in this domain,determining the best-fit architecture across varied datasets and optimization approaches remains *** study introduces a machine learning framework for systematically evaluating multiple ANN *** only 30%of a training dataset derived from 124 LIBs subjected to various charging regimes,an extensive evaluation is conducted across 7 ANN *** architecture is optimized in terms of hyperparameters using this framework,a process that spans 145 days on an NVIDIA GeForce RTX 4090 *** optimizing each model to its best configuration,a fair and standardized basis for comparing their RUL predictions is *** research also examines the impact of different cycling windows on predictive *** a stratified partitioning technique underscores the significance of consistent dataset representation across ***,using only the features derived from individual charge–discharge cycles,our top-performing model,based on data from just 40 cycles,achieves a mean absolute percentage error of 10.7%.

关键词： Remaining useful life Artificial neural networks Li-ion batteries Deep neural networks Machine learning Hyperparameter optimization

SFNet:Stellar Feature Network with CWT for Stellar Spectra Recognition

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Research in Astronomy and Astrophysics 2024年第9期24卷 260-270页

作者： Hao Fu Peng liu Xuan Qi xue Mei College of Electrical Engineering and Control Science Nanjing Tech UniversityNanjing 211816China

Stellar spectral classification is crucial in astronomical data ***,existing studies are often limited by the uneven distribution of stellar samples,posing challenges in practical *** when balancing stellar categories and their numbers,there is room for improvement in classification *** study introduces a Continuous Wavelet Transform using the Super Morlet wavelet to convert stellar spectra into wavelet images.A novel neural network,the Stellar Feature Network,is proposed for classifying these *** spectra from Large Sky Area Multi-Object Fiber Spectroscopic Telescope DR9,encompassing five equal categories(B,A,F,G,K),were *** experiments validate the effectiveness of the proposed methods and network,achieving significant improvements in classification accuracy.

关键词： methods data analysis-techniques image processing-stars imaging-galaxies stellar content

Efficient heterologous biosynthesis of verazine,a metabolic precursor of the anti-cancer drug cyclopamine,in Nicotiana benthamiana

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Plant Communications 2024年第6期5卷 1-4页

作者： Chengxi Kou Jingling liu xue Yin Di He Jia liu Xin Hua Rui Ma Wei Sun Zheyong xue Pengda Ma College of Life Sciences Northwest A&F UniversityYangling 712100China Key Laboratory of Saline-alkali Vegetation Ecology Restoration(Northeast Forestry University) Ministry of EducationHarbin 150040China Heilongjiang Key Laboratory of Plant Bioactive Substance Biosynthesis and Utilization Northeast Forestry UniversityHarbin 150040China Jilin Provincial Key Laboratory of Agricultural Biotechnology Jilin Academy of Agricultural SciencesChangchun 130033China Key Laboratory of Beijing for Identification and Safety Evaluation of Chinese Medicine Institute of Chinese Materia MedicaChina Academy of Chinese Medical SciencesBeijing 100700China

Dear Editor,Among the large number of Veratrum steroid alkaloids(Zhang et al.,2020),cyclopamine has been shown to have various inhibitory mechanisms against cancer,including inhibition of the hedgehog signaling pathway,improvement of tumor tissue microenvironment,inhibition of cell respiration,promotion of cell apoptosis,and reversal of tumor drug resistance(liu et al.,2023).The biosynthetic pathway of verazine,a possible metabolic precursor of cyclopamine,has been discovered in Veratrum californicum(Augustin et al.,2015).However,the content of Veratrum steroid alkaloids in plants is very low(Supplemental Figure 2),so reliance on direct extraction from plants for commercial production is not feasible.A more effective strategy is to synthesize rare plant secondary metabolites using synthetic biology technology(liu et al.,2022).

关键词： al. cyclopamine cancer

Thymoquinone affects hypoxia-inducible factor-1αexpression in pancreatic cancer cells via HSP90 and PI3K/AKT/mTOR pathways

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World Journal of Gastroenterology 2024年第21期30卷 2793-2816页

作者： Zhan-xue Zhao Shuai Li Lin-Xun liu Department of General Surgery Qinghai Provincial People's HospitalXining 810007Qinghai ProvinceChina Department of Clinical Pharmacy The Affiliated Hospital of Qinghai UniversityXining 810001Qinghai ProvinceChina

BACKGROUND Pancreatic cancer(PC)is associated with some of the worst prognoses of all major ***(TQ)has a long history in traditional medical practice and is known for its anti-cancer,anti-inflammatory,anti-fibrosis and antioxidant pharmacological *** studies on hypoxia-inducible factor-1α(HIF-1α)and PC have shown that HIF-1αaffects the occurrence and development of PC in many *** addition,TQ could inhibit the development of renal cancer by decreasing the expression of HIF-1α.Therefore,we speculate whether TQ affects HIF-1αexpression in PC cells and explore the *** To elucidate the effect of TQ in PC cells and the regulatory mechanism of HIF-1α*** Cell counting kit-8 assay,Transwell assay and flow cytometry were performed to detect the effects of TQ on the proliferative activity,migration and invasion ability and apoptosis of PANC-1 cells and normal pancreatic duct epithelial(hTERTHPNE)*** real-time polymerase chain reaction and western blot assay were performed to detect the expression of HIF-1αmRNA and protein in PC *** effects of TQ on the HIF-1αprotein initial expression pathway and ubiquitination degradation in PANC-1 cells were examined by western blot assay and *** TQ significantly inhibited proliferative activity,migration,and invasion ability and promoted apoptosis of PANC-1 cells;however,no significant effects on hTERT-HPNE cells were *** significantly reduced the mRNA and protein expression levels of HIF-1αin PANC-1,AsPC-1,and BxPC-3 *** significantly inhibited the expression of the HIF-1αinitial expression pathway(PI3K/AKT/mTOR)related proteins,and promoted the ubiquitination degradation of the HIF-1αprotein in PANC-1 *** had no effect on the hydroxylation and von Hippel Lindau protein mediated ubiquitination degradation of the HIF-1αprotein but affected the stability of the HIF-1αprotein by inhibiting the interaction between HI

关键词： Thymoquinone Pancreatic cancer Hypoxia-inducible factor-1α PI3K/AKT/mTOR HSP90

Rational design of superior catalysts from topological semimetals with nontrivial energy window

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Rare Metals 2024年第5期43卷 1956-1964页

作者： Min Zhao Li-Rong Wang Wei liu Ming-Hang Li Ying liu xue-Fang Dai Guo-Dong liu Xiao-Ming Zhang Key Laboratory of Reliability and Intelligence of Electrical Equipment School of Materials Science and Engineering ManufacturingHebei University of TechnologyTianjin 300130China

Materials featuring topological energy bands and nontrivial surface states hold significant promise in unlocking unprecedented opportunities for innovating electrocatalytic ***,it remains a challenge to realize superior topological catalysts which can carry both high catalytic activity and excellent catalytic ***,we propose that a family of Ni-based binary materials hosting fantasying topological conjunct-nodalpoint state and a large nontrivial energy window(NEWD)represents an ideal choice for such superior topological catalysts in hydrogen evolution *** presence of conjunct-nodal-points ensures long Fermi arcs on the surface,thereby enabling an extremely high catalytic *** NEWD plays a crucial role in stabilizing the high catalytic activity against external perturbations,such as strain and electron/hole *** roles for conjunctnodal-points and NEWD are substantiated by the observable weakening of catalytic performance during topological phase transitions,which result in the removal of the conjunct-nodal-points,NEWD and their corresponding long Fermi *** work unveils a hidden mechanism and opens a feasible route for developing superior quantum catalysts from novel topology point of view.

关键词： First-principles modeling Topological semimetal Nontrivial surface states Hydrogen evolution reaction

Effect of solvent on the initiation mechanism of living anionic polymerization of styrene:A computational study

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Chinese Journal of Chemical Engineering 2024年第5期69卷 135-142页

作者： Shen Li Yin-Ning Zhou Zhong-Xin liu zheng-Hong Luo School of Chemical Engineering and Technology Hainan UniversityHaikou 570228China Department of Chemical Engineering School of Chemistry and Chemical EngineeringState Key Laboratory of Metal Matrix CompositesShanghai Jiao Tong UniversityShanghai 200240China

For living anionic polymerization(LAP),solvent has a great influence on both reaction mechanism and *** this work,by using the classical butyl lithium-styrene polymerization as a model system,the effect of solvent on the mechanism and kinetics of LAP was revealed through a strategy combining density functional theory(DFT)calculations and kinetic *** terms of mechanism,it is found that the stronger the solvent polarity,the more electrons transfer from initiator to solvent through detailed energy decomposition analysis of electrostatic interactions between initiator and solvent ***,we also found that the stronger the solvent polarity,the higher the monomer initiation energy barrier and the smaller the initiation rate ***,initiation is more favorable at lower temperatures based on the calculated results ofΔG_(TS).Finally,the kinetic characteristics in different solvents were further examined by kinetic *** is found that in benzene and n-pentane,the polymerization rate exhibits first-order ***,slow initiation and fast propagation were observed in tetrahydrofuran(THF)due to the slow free ion formation rate,leading to a deviation from first-order kinetics.

关键词： Living anionic polymerization Solvent effect Reaction kinetics Computational chemistry Mathematical modeling Kinetic modeling

Descriptor-augmented machine learning for enzyme-chemical interaction predictions

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Synthetic and Systems Biotechnology 2024年第2期9卷 259-268页

作者： Yilei Han Haoye Zhang Zheni Zeng Zhiyuan liu Diannan Lu zheng liu Department of Chemical Engineering Tsinghua UniversityBeijing100084China Department of Computer Science and Technology Tsinghua UniversityBeijing100084China

Descriptors play a pivotal role in enzyme design for the greener synthesis of biochemicals,as they could characterize enzymes and chemicals from the physicochemical and evolutionary *** study examined the effects of various descriptors on the performance of Random Forest model used for enzyme-chemical relationships *** curated activity data of seven specific enzyme families from the literature and developed the pipeline for evaluation the machine learning model performance using 10-fold *** influence of protein and chemical descriptors was assessed in three scenarios,which were predicting the activity of unknown relations between known enzymes and known chemicals(new relationship evaluation),predicting the activity of novel enzymes on known chemicals(new enzyme evaluation),and predicting the activity of new chemicals on known enzymes(new chemical evaluation).The results showed that protein descriptors significantly enhanced the classification performance of model on new enzyme evaluation in three out of the seven datasets with the greatest number of enzymes,whereas chemical descriptors appear no effect.A variety of sequence-based and structure-based protein descriptors were constructed,among which the esm-2 descriptor achieved the best *** enzyme families as labels showed that descriptors could cluster proteins well,which could explain the contributions of descriptors to the machine learning *** a counterpart,in the new chemical evaluation,chemical descriptors made significant improvement in four out of the seven datasets,while protein descriptors appear no *** attempted to evaluate the generalization ability of the model by correlating the statistics of the datasets with the performance of the *** results showed that datasets with higher sequence similarity were more likely to get better results in the new enzyme evaluation and datasets with more enzymes were more likely beneficial from the protein

关键词： Enzyme-substrate interaction Enzyme design Machine learning Descriptor

A study on the impact of heritage protection on urban carbon emissions

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Science China(Technological Sciences) 2024年第9期67卷 2675-2692页

作者： WANG Fang xue PengCheng WANG ShunYi liu YunHuai River Basin Habitats Research Center College of Architecture and Landscape ArchitecturePeking UniversityBeijing 100871China Shanxi Key Laboratory of Watershed Built Environment with Locality(Peking University) Peking UniversityBeijing 100871China College of Urban and Environmental Sciences Peking UniversityBeijing 100871China School of Computer Science Peking UniversityBeijing 100871China

A major goal of current international urban development and construction is to lower carbon *** exist between the preservation of historic cities and the development of low-carbon cities;however,the relationship between preservation of historic cities and carbon emissions remains *** study focuses on the cities in the“Yellow-Canal-Yangtze”watershed community,which includes the Yellow River Basin,Yangtze River Basin,and the Grand Canal region,and aims to verify the differences in CO_(2) emissions(CE)between historic and non-historic cities through multiple comparisons after ***,Ridge Regression was used to determine the impact and dimensions of the relevant variables associated with the preservation of historic cities on *** with national development goals,this study predicts changes in the CE of historic city preservation under different *** study found significant differences between historic and non-historic cities,as the total CE of historic cities is 2.42 times higher than that of non-historic *** dimension with the largest difference was the CE related to transportation,with aviation emissions of historic cities reaching 15.22 times higher than that of non-historic *** the preservation of historic cities has led to an overall increase in the CE,there is significant potential for CE reduction in land use,transportation infrastructure,and tourism development related to historic city *** the future,historic cities can contribute to China's carbon neutrality and the United Nation's development goals through the creation of larger historical preservation areas,more convenient public transportation,and more vibrant tourism.

关键词： CO_(2) emissions urban planning cultural heritage historic city “Yellow-Canal-Yangtze”watershed community

Strength and ductility optimization of HPDC AlSi8MgCuZn2 alloys by modifying pre-aging treatment

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China Foundry 2024年第4期21卷 343-351页

作者： Yuan-hang Jiang Hui-ting zheng Fei liu Hai-dong Zhao National Engineering Research Center of Near-net Shape Forming for Metallic Materials South China University of TechnologyGuangzhou 510641China

Considering the components produced by high pressure die casting(HPDC)process usually with ultra-large sizes and complex morphologies,high temperature solid solution treatment is not a suitable method to further improve their mechanical *** this study,two-stage aging treatment with different pre-aging times was designed and employed to further improve the mechanical properties of HPDC Al8SiMgCuZn *** characteristics of precipitates were evaluated by a transmission electron microscope(TEM),and the precipitation strengthening mechanism was *** results reveal that the strengthening is mainly contributed by the precipitation ofβ″phase after two-stage aging,and the number density and size of the precipitates are significantly depended on the pre-aging *** number density of precipitates is increased with the pre-aging time prolonged from 0 h to 4 h,and then decreases with the further increase of pre-aging time from 4 h to 6 *** precipitates with the highest density and smallest size are observed after pre-aging for 4 *** pre-aged at 100℃for 4 h and then artificial aged at 200℃for 30 min,the yield strength of 207 MPa,ultimate tensile strength of 325 MPa and elongation of 7.6%are achieved.

关键词： high pressure die cast aluminum alloy microstructural heterogeneity mechanical properties precipitation strengthening two-stage aging

Construction and validation of somatic mutation-derived long noncoding RNAs signatures of genomic instability to predict prognosis of hepatocellular carcinoma

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World Journal of Gastrointestinal Surgery 2024年第3期16卷 842-859页

作者： Bo-Tao Duan xue-Kai Zhao Yang-Yang Cui De-zheng liu Lin Wang Lei Zhou Xing-Yuan Zhang Department of Hepatobiliary Surgery Binzhou Medical University HospitalBinzhou 256600Shandong ProvinceChina Department of Ophthalmology Binzhou Medical University HospitalBinzhou 256600Shandong ProvinceChina

BACKGROUND Long non-coding RNAs(LncRNAs)have been found to be a potential prognostic factor for cancers,including hepatocellular carcinoma(HCC).Some LncRNAs have been confirmed as potential indicators to quantify genomic instability(GI).Nevertheless,GI-LncRNAs remain largely *** study established a GI-derived LncRNA signature(GILncSig)that can predict the prognosis of HCC *** To establish a GILncSig that can predict the prognosis of HCC *** Identification of GI-LncRNAs was conducted by combining LncRNA expression and somatic mutation *** GI-LncRNAs were then analyzed for functional *** GILncSig was established in the training set by Cox regression analysis,and its predictive ability was verified in the testing set and TCGA *** addition,we explored the effects of the GILncSig and TP53 on *** A total of 88 GI-LncRNAs were found,and functional enrichment analysis showed that their functions were mainly involved in small molecule metabolism and *** GILncSig was constructed by 5 LncRNAs(miR210HG,AC016735.1,AC116351.1,AC010643.1,LUCAT1).In the training set,the prognosis of high-risk patients was significantly worse than that of low-risk patients,and similar results were verified in the testing set and TCGA *** Cox regression analysis and stratified analysis confirmed that the GILncSig could be used as an independent prognostic *** operating characteristic curve analysis of the GILncSig showed that the area under the curve(0.773)was higher than the two LncRNA signatures published ***,the GILncSig may have a better predictive performance than TP53 mutation status *** We established a GILncSig that can predict the prognosis of HCC patients,which will help to guide prognostic evaluation and treatment decisions.

关键词： Genomic instability Long noncoding RNA Hepatocellular carcinoma Prognosis Diagnosis