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A multiscale adaptive framework based on convolutional neural network: Application to fluid catalytic cracking product yield prediction

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Petroleum Science 2024年第4期21卷 2849-2869页

作者： Nan Liu Chun-Meng Zhu Meng-Xuan zhang xing-Ying Lan State Key Laboratory of Heavy Oil Processing China University of Petroleum (Beijing) College of Artificial Intelligence China University of Petroleum (Beijing)

Since chemical processes are highly non-linear and multiscale, it is vital to deeply mine the multiscale coupling relationships embedded in the massive process data for the prediction and anomaly tracing of crucial process parameters and production indicators. While the integrated method of adaptive signal decomposition combined with time series models could effectively predict process variables, it does have limitations in capturing the high-frequency detail of the operation state when applied to complex chemical processes. In light of this, a novel Multiscale Multi-radius Multi-step Convolutional Neural Network(Msrt Net) is proposed for mining spatiotemporal multiscale information. First, the industrial data from the Fluid Catalytic Cracking(FCC) process decomposition using Complete Ensemble Empirical Mode Decomposition with Adaptive Noise(CEEMDAN) extract the multi-energy scale information of the feature subset. Then, convolution kernels with varying stride and padding structures are established to decouple the long-period operation process information encapsulated within the multi-energy scale data. Finally, a reconciliation network is trained to reconstruct the multiscale prediction results and obtain the final output. Msrt Net is initially assessed for its capability to untangle the spatiotemporal multiscale relationships among variables in the Tennessee Eastman Process(TEP). Subsequently, the performance of Msrt Net is evaluated in predicting product yield for a 2.80 × 10～6 t/a FCC unit, taking diesel and gasoline yield as examples. In conclusion, Msrt Net can decouple and effectively extract spatiotemporal multiscale information from chemical process data and achieve a approximately reduction of 30% in prediction error compared to other time-series models. Furthermore, its robustness and transferability underscore its promising potential for broader applications.

关键词： Fluid catalytic cracking Product yield Data-driven modeling Multiscale prediction Data decomposition Convolution neural network

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Model informed precision medicine of Chinese herbal medicines formulas-A multi-scale mechanistic intelligent model

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Journal of Pharmaceutical Analysis 2024年第4期14卷 585-600页

作者： Yuanyuan Qian Xiting Wang Lulu Cai Jiangxue Han Zhu Huang Yahui Lou Bingyue zhang Yanjie Wang Xiaoning Sun Yan zhang Aisong Zhu Zhejiang Key Laboratory of Blood-Stasis-Toxin Syndrome Zhejiang Chinese Medical UniversityHangzhou310000China Academy of Mathematics and Systems Science Chinese Academy of SciencesBeijing100190China Zhejiang Engineering Research Center for“Preventive Treatment”Smart Health of Traditional Chinese Medicine Zhejiang Chinese Medical UniversityHangzhou310000China College of Basic Medical Sciences Zhejiang Chinese Medical UniversityHangzhou310000China Affiliated Hospital of Liaoning University of Traditional Chinese Medicine Shenyang110032China Academy of Chinese Medical Science Zhejiang Chinese Medical UniversityHangzhou310000China

Recent trends suggest that Chinese herbal medicine formulas(CHM formulas)are promising treatments for complex *** characterize the precise syndromes,precise diseases and precise targets of the precise targets between complex diseases and CHM formulas,we developed an artificial intelligence-based quantitative predictive algorithm(DeepTCM).DeepTCM has gone through multilevel model calibration and validation against a comprehensive set of herb and disease data so that it accurately captures the complex cellular signaling,molecular and theoretical levels of traditional Chinese medicine(TCM).As an example,our model simulated the optimal CHM formulas for the treatment of coronary heart disease(CHD)with depression,and through model sensitivity analysis,we calculated the balanced scoring of the ***,we constructed a biological knowledge graph representing interactions by associating herb-target and gene-disease ***,we experimentally confirmed the therapeutic effect and pharmacological mechanism of a novel model-predicted intervention in humans and *** novel multiscale model opened up a new avenue to combine“disease syndrome”and“macro micro”system modeling to facilitate translational research in CHM formulas.

关键词： Chinese herbal medicine formulas Precision medicine Mathematical modeling Systems biology Coronary heart disease Depression Ischemia-reperfusion Inflammation

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Protein neddylation and its role in health and diseases

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Signal Transduction and Targeted Therapy 2024年第5期9卷 1869-1904页

作者： Shizhen zhang Qing Yu Zhijian Li Yongchao Zhao Yi Sun Department of Breast Surgery the Second Affiliated HospitalZhejiang University School of MedicineHangzhou 310029China Cancer Institute(Key Laboratory of Cancer Prevention and Intervention China National Ministry of Education)the Second Affiliated HospitalZhejiang University School of MedicineHangzhou 310029China Institute of Translational Medicine Zhejiang University School of MedicineHangzhou 310029China Department of Thyroid Surgery Zhejiang Cancer HospitalInstitute of Basic Medicine and Cancer(IBMC)Chinese Academy of SciencesHangzhou 310022China Key Laboratory of Head&Neck Cancer Translational Research of Zhejiang Province Hangzhou 310022China Department of Hepatobiliary and Pancreatic Surgery Zhejiang University School of MedicineHangzhou 310029China Zhejiang Provincial Key Laboratory of Pancreatic Disease The First Affiliated HospitalZhejiang University School of MedicineHangzhou 310029China Zhejiang University Cancer Center Hangzhou 310029China Leading Innovative and Entrepreneur Team Introduction Program of Zhejiang Hangzhou 310024China Research Center for Life Science and Human Health Binjiang Institute of Zhejiang UniversityHangzhou 310053China

NEDD8(Neural precursor cell expressed developmentally downregulated protein 8)is an ubiquitin-like protein that is covalently attached to a lysine residue of a protein substrate through a process known as neddylation,catalyzed by the enzyme cascade,namely NEDD8 activating enzyme(E1),NEDD8 conjugating enzyme(E2),and NEDD8 ligase(E3).The substrates of neddylation are categorized into cullins and non-cullin *** of cullins activates CRLs(cullin RING ligases),the largest family of E3 ligases,whereas neddylation of non-cullin substrates alters their stability and activity,as well as subcellular ***,the neddylation pathway and/or many neddylation substrates are abnormally activated or over-expressed in various human diseases,such as metabolic disorders,liver dysfunction,neurodegenerative disorders,and cancers,among ***,targeting neddylation becomes an attractive strategy for the treatment of these *** this review,we first provide a general introduction on the neddylation cascade,its biochemical process and regulation,and the crystal structures of neddylation enzymes in complex with cullin substrates;then discuss how neddylation governs various key biological processes via the modification of cullins and non-cullin *** further review the literature data on dysregulated neddylation in several human diseases,particularly cancer,followed by an outline of current efforts in the discovery of small molecule inhibitors of neddylation as a promising therapeutic ***,few perspectives were proposed for extensive future investigations.

关键词： NEDD8 attached attractive

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Genomic selection of eight fruit traits in pear

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Horticultural Plant Journal 2024年第2期10卷 318-326页

作者： Manyi Sun Mingyue zhang Satish Kumar Mengfan Qin Yueyuan Liu Runze Wang Kaijie Qi Shaoling zhang Wenjing Chang Jiaming Li Jun Wu College of Horticulture State Key Laboratory of Crop Genetics&Germplasm Enhancement and UtilizationNanjing Agricultural UniversityNanjingJiangsu 210095China State Key Laboratory of Crop Biology College of Horticulture Science and EngineeringShandong Agricultural UniversityTai'anShandong 271018China The New Zealand Institute for Plant and Food Research Limited Private Bag 1401Havelock North 4157New Zealand Zhongshan Biological Breeding Laboratory NanjingJiangsu 210014China

Genomic selection (GS) has the potential to improve selection efficiency and shorten the breeding cycle in fruit tree breeding. In this study,we evaluated the effect of prediction methods, marker density and the training population (TP) size on pear GS for improving its performance and reducing cost. We evaluated GS under two scenarios:(1) five-fold cross-validation in an interspecific pear family;(2) independent validation. Based on the cross-validation scheme, the prediction accuracy (PA) of eight fruit traits varied between 0.33 (fruit core vertical diameter)and 0.65 (stone cell content). Except for single fruit weight, a slightly better prediction accuracy (PA) was observed for the five parametrical methods compared with the two non-parametrical methods. In our TP of 310 individuals, 2 000 single nucleotide polymorphism (SNP) markers were sufficient to make reasonably accurate predictions. PAs for different traits increased by 18.21%-46.98%when the TP size increased from 50to 100, but the increment was smaller (-4.13%-33.91%) when the TP size increased from 200 to 250. For independent validation, the PAs ranged from 0.11 to 0.45 using rrBLUP method. In summary, our results showed that the TP size and SNP numbers had a greater impact on the PA than prediction methods. Furthermore, relatedness among the training and validation sets, and the complexity of traits should be considered when designing a TP to predict the test panel.

关键词： Pear Pyrus Prediction method TP size SNP marker number

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Curcumin Interferes with TGF-β1-Induced Fibrosis in NRK-49F Cells by Reversing ADAMTS18 Gene Methylation

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Chinese Journal of Integrative Medicine 2024年第7期30卷 600-607页

作者： XU Ben zhang Jia-en YE Lin YUAN Chang-wei Department of Urology Peking University First Hospital and Institute of UrologyPeking UniversityNational Urological Cancer CenterBeijing100034China

Objective To explore the molecular mechanism by which curcumin affects renal interstitial fibrosis(RIF)progression by regulating ADAM metallopeptidase with thrombospondin type 1 motif 18(ADAMTS18)*** NRK-49F cells RIF model were induced with transforming growth factorβ1(TGF-β1).Effects of different concentrations of curcumin(0,10,20,and 30μmol/L)on cell proliferation,cell cycle,cell apoptosis as well as cyclin D1 expression were analyzed by cell counting kit-8,flow cytometry and Western blot,***18 methylation levels were determined by methylation-specific polymerase chain ***18,fibronectin(FN),type I collagen(Col-I)and alpha-smooth muscle actin(α-SMA)mRNA and protein expressions were analyzed by real-time PCR(RT-PCR)and Western blot,***,cells were treated with 50 mmol/L 5-aza-2′-deoxycytidine(5-aza-dC,demethylation agent)for 72 *** of curcumin on extracellular matrix(ECM)deposition was evaluated by immunochemical staining and Western ***-49F cells were transfected with ADAMTS18 small interfering RNA and grouped into a normal control,ADAMTS18-knock-out(KO),and ADAMTS18-KO+30μmol/L curcumin groups,and whether curcumin can reverse the effect of ADAMTS18 knockdown on RIF was *** Compared with the control group,TGF-β1 significantly inhibited the proliferation of NRK-49F cells,blocked the G1/G0 phase,promoted cell apoptosis and inhibited cyclin D1 expression(P<0.01).Among the different concentrations of curcumin,30μmol/L curcumin significantly reversed these processes(P<0.01).Immunochemical staining and Western blot results showed that curcumin significantly inhibited the deposition of FN,Col-I andα-SMA(P<0.01).Curcumin and 5-zaz-dC had synergistic effects,promoting ADAMTS18 expression,removing ADAMTS18 methylation,and reducing ECM ***18 knockdown promoted ECM accumulation,and curcumin reversed this process(P<0.01).Conclusion TGF-β1-induced fibrosis in NRK-49F ***

关键词： renal fibrosis curcumin Chinese medicine ADAMTS18 methylation modification

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在水相中通过手性配体直接合成手性魔幻尺寸团簇

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Science China Materials 2024年第7期67卷 2302-2310页

作者：阮巧慧崔艳羽林倬汉张雪张欣李艳马骧 Key Laboratory for Advanced Materials and Feringa Nobel Prize Scientist Joint Research Center Frontiers Science Center for Mate-riobiology and Dynamic ChemistrySchool of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai 200237China

尺寸小于2 nm的手性胶体半导体魔尺寸团簇(MSCs)为手性配体提供了丰富的表面结合位点,因此在手性半导体纳米材料应用方面具有巨大潜力.然而,手性MSCs的制备和光学表征却鲜有报道.本研究以手性半胱氨酸为配体,首次在室温水溶液中合成了... 详细信息

尺寸小于2 nm的手性胶体半导体魔尺寸团簇(MSCs)为手性配体提供了丰富的表面结合位点,因此在手性半导体纳米材料应用方面具有巨大潜力.然而,手性MSCs的制备和光学表征却鲜有报道.本研究以手性半胱氨酸为配体,首次在室温水溶液中合成了单组合形式的手性MSCs,其中CdS MSCs在366 nm波长处有独特的尖锐吸收峰,CdSe MSCs在420 nm波长处有独特的尖锐吸收峰.通过改变手性配体的添加量,可以很容易地调节所制备的手性MSCs的光学活性.制备的手性CdS MSCs和CdSe MSCs的最大吸收不对称系数分别达到3.6×10^(−4)和5.6×10^(−4).实验结果表明,制备的MSCs的手性光学特性可能来源于配体诱导MSCs表面的原子重排.本研究不仅提供了制备手性MSCs的方法,而且为手性MSCs的研究和应用开辟了道路.

关键词： magic-sized clusters chirality circular dichroism

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On the longitudinal shifts of the Agulhas retroflection point

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Acta Oceanologica Sinica 2024年第5期43卷 16-29页

作者： Weiwei zhang Xiaoyi Yang Wei Zhuang Xiaohai Yan State Key Laboratory of Marine Environmental Science College of Ocean and Earth SciencesXiamen UniversityXiamen 361002China Southern Marine Science and Engineering Guangdong Laboratory(Zhuhai) Zhuhai 519082China Center for Remote Sensing College of EarthOcean and EnvironmentUniversity of DelawareNewarkDE 19716USA Joint Center for Remote Sensing University of Delaware-Xiamen UniversityNewarkDE 19716USA and Xiamen 361002China

The Agulhas system is the strongest western boundary current system in the Southern Hemisphere and plays an important role in modulating the Indian-to-Atlantic Ocean water exchange by the Agulhas *** is difficult to measure in situ transport of the Agulhas leakage as well as the Agulhas retroflection position due to their intermittent *** this study,an innovative kinematic algorithm was designed and applied to the gridded altimeter observational data,to ascertain the longitudinal position of Agulhas retroflection,the stability of Agulhas jet stream,as well as its *** results show that the east-west shift of retroflection is related neither to the strength of Agulhas current nor to its *** analysis uncovers the connection between the westward extension of Agulhas jet stream and an anomalous cyclonic circulation at its northern side,which is likely attributed to the local wind stress curl *** confirm the effect of local wind forcing on the east-west shift of retroflection,numerical sensitivity experiments were *** results show that the local wind stress can induce a similar longitudinal shift of the retroflection as altimetry *** statistical and case study indicates that whether an Agulhas ring can continuously migrate westward to the Atlantic Ocean or re-merge into the main flow depends on the retroflection ***,the westward retroflection may contribute to a stronger Agulhas leakage than the eastward retroflection.

关键词： Agulhas system Agulhas leakage retroflection position local wind stress curl

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Tunable off-resonant Rydberg microwave frequency comb spectroscopy based on metawaveguide coupled Rydberg atoms

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CHINESE OPTICS LETTERS 2024年第8期22卷 080201-080201页

作者： zhang, Lihua Liu, Zongkai Liu, Bang Wang, Qifeng Ma, Yu Han, Tianyu zhang, Zhengyuan Chen, Hanchao Shao, Shiyao Li, Qing zhang, Jun Ding, Dongsheng Shi, Baosen Univ Sci & Technol China Key Lab Quantum Informat Hefei 230026 Peoples R China Univ Sci & Technol China Synerget Innovat Ctr Quantum Informat & Quantum Ph Hefei 230026 Peoples R China

Studying Rydberg microwave frequency comb (MFC) spectroscopy helps increase the working bandwidth of the Rydberg receiver. This Letter demonstrates off-resonant Rydberg MFC spectroscopy in a meta-waveguide-coupled Rydberg atomic system. An off-resonant MFC field couples with the Rydberg atoms through a meta-waveguide. The system can receive the microwave field in the working band from 0.5 GHz to 13.5 GHz, and the MFC spectroscopy covers a span of 36 MHz at three different arbitrarily-chosen frequencies of 2 GHz, 3 GHz, and 5.8 GHz. The MFC spectrum that covers a wide range of 125 MHz is also verified. This work is significant for tunable wide-band instant microwave signal detection in the Rydberg atomic system, which is useful in microwave frequency metrology, communication, and radar.

关键词： Rydberg atoms microwave frequency comb spectroscopy metawaveguide tunability

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Cation-Dipole Interaction-Induced Coacervate Underwater Adhesives in Natural Seawater

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Chinese Journal of Polymer Science 2024年第7期42卷 984-991,I0009页

作者： Xu-Fei Liu Chong-Rui zhang Hua-Wen Peng Qiang Zhao Key Laboratory of Material Chemistry for Energy Conversion and Storage Ministry of EducationSchool of Chemistry and Chemical EngineeringHuazhong University of Science and TechnologyWuhan430074China

Significant progress has been made in wet adhesives for low salinity water,but exploration of general ionic adhesives for natural seawater is less developed because the high salinity could weaken interfacial bonding and shields electrostatic interactions,resulting in adhesion ***,the design of adhesives for natural seawater represents challenges less ***,a cationic polyelectrolyte(PECHIA)containing imidazolacetonitrile unit was explored to prepare adhesives enabled by natural *** combining the ion shielding effect with the“cation-dipole”interactions between PECHIA chains,aqueous solution of the PECHIA underwent coacervation and self-crosslinking in natural seawater,allowing for underwater adhesion to various substrates in *** instantaneous lap-shear and tensile adhesion strengths are 47 and 119 kPa,respectively,while the cured adhesive shows~739 k Pa tensile adhesion in natural *** design of PECHIA enables wet adhesives viable for applications in the diversified scenarios of natural seawater.

关键词： Coacervate Underwater adhesives Seawater Cation-dipole interaction

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Disruption of cyclin D1 degradation leads to the development of mantle cell lymphoma

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Acta Pharmaceutica Sinica B 2024年第7期14卷 2977-2991页

作者： Ke Lu Ming zhang Hongyu Qin Siyu Shen Haiqing Song Hua Jiang Chunxiang zhang Guozhi Xiao Liping Tong Qing Jiang Di Chen Research Center for Computer-aided Drug Discovery Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055China Faculty of Pharmaceutical Sciences Shenzhen Institute of Advanced TechnologyShenzhen 518055China Oncology Department Johns Hopkins University School of MedicineBaltimoreMD 21205USA Division of Spine Surgery the First Affiliated Hospital of Guangxi Medical UniversityNanning 530021China Division of Sports Medicine and Adult Reconstructive Surgery Department of Orthopedic SurgeryNanjing Drum Tower HospitalAffiliated Hospital of Medical SchoolState Key Laboratory of Pharmaceutical BiotechnologyNanjing UniversityNanjing 210008China Wenzhou Institute University of Chinese Academy of SciencesWenzhou 325000China Department of Cardiology Basic Medicine Innovation Center for Cardiometabolic Diseases of Ministry of EducationInstitute of Cardiovascular Researchthe Affiliated HospitalSouthwest Medical UniversityLuzhou 646000China School of Medicine Southern University of Science and TechnologyShenzhen 518055China

Cyclin D1 has been recognized as an oncogene due to its abnormal upregulation in different types of ***,we demonstrated that cyclin D1 is SUMOylated,and we identified Itch as a specific E3 ligase recognizing SUMOylated cyclin D1 and mediating SUMO-induced ubiquitination and proteasome degradation of cyclin *** generated cyclin D1 mutant mice with mutations in the SUMOylation site,phosphorylation site,or both sites of cyclin D1,and found that double mutant mice developed a Mantle cell lymphoma(MCL)-like *** showed that arsenic trioxide(ATO)enhances cyclin D1 SUMOylation-mediated degradation through inhibition of cyclin D1 deSUMOylation enzymes,leading to MCL cell *** of severe combined immunodeficiency(SCID)mice grafted with MCL cells with ATO resulted in a significant reduction in tumor *** this study,we provide novel insights into the mechanisms of MCL tumor development and cyclin D1 regulation and discover a new strategy for MCL treatment.

关键词： Cyclin D1 SUMOylation Mantle cell lymphoma Arsenic trioxide SENP2 Proteasome degradation

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