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Structure-based development of potent and selective type-II kinase inhibitors of RIPK1

Acta Pharmaceutica Sinica B 2024年第1期14卷 319-334页

作者： Ying Qin Dekang Li Chunting Qi Huaijiang Xiang Huyan Meng Jingli Liu Shaoqing Zhou Xinyu Gong Ying Li Guifang xu Rui Zu Hang Xie Yechun xu Gang xu Zheng Zhang Shi Chen Lifeng Pan Ying Li Li tan Interdisciplinary Research Center on Biology and Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 201210China University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Chemical Biology Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China School of Chinese Materia Medica Nanjing University of Chinese MedicineNanjing 210023China State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Institute of Hepatology National Clinical Research Center for Infectious DiseaseShenzhen Third People’s Hospitalthe Second Affiliated HospitalSchool of MedicineSouthern University of Science and TechnologyShenzhen 518112China Department of Burn and Plastic Surgery Shenzhen Institute of Translational MedicineShenzhen University Medical SchoolShenzhen Second People’s Hospitalthe First Affiliated Hospital of Shenzhen UniversityShenzhen 518035China

Receptor-interacting serine/threonine-protein kinase 1(RIPK1)functions as a key regulator in inflammation and cell death and is involved in mediating a variety of inflammatory or degenerative diseases.A number of allosteric RIPK1 inhibitors(RIPK1i)have been developed,and some of them have already advanced into clinical evaluation.Recently,selective RIPK1i that interact with both the allosteric pocket and the ATP-binding site of RIPK1 have started to emerge.Here,we report the rational development of a new series of type-II RIPK1i based on the rediscovery of a reported but mechanistically atypical RIPK3i.We also describe the structure-guided lead optimization of a potent,selective,and orally bioavailable RIPK1i,62,which exhibits extraordinary efficacies in mouse models of acute or chronic inflammatory diseases.Collectively,62 provides a useful tool for evaluating RIPK1 in animal disease models and a promising lead for further drug development.

关键词： RIPK1 Necroptosis Type-II kinase inhibitors Rational design Lead optimization Structure‒activity relationship Anti-inflammation Preclinical drug discovery

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De Novo Dissecting the Three‑Dimensional Facial Morphology of 2379 Han Chinese Individuals

Phenomics

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Phenomics 2024年第1期4卷 1-12页

作者： Hui Qiao Jingze tan Shaoqing Wen Menghan Zhang Shuhua xu Li Jin State Key Laboratory of Genetic Engineering Center for Evolutionary BiologyCollaborative Innovation Center for Genetics and DevelopmentSchool of Life SciencesFudan UniversityShanghai 200438China Ministry of Education Key Laboratory of Contemporary Anthropology Human Phenome InstituteZhangjiang Fudan International Innovation CenterFudan UniversityShanghai 201203China Institute of Archaeological Science Fudan UniversityShanghai 200433China Institute of Modern Languages and Linguistics Fudan UniversityShanghai 200433China Department of Liver Surgery and Transplantation Liver Cancer Institute Zhongshan HospitalFudan UniversityShanghai 200032China

Phenotypic diversity,especially that of facial morphology,has not been fully investigated in the Han Chinese,which is the largest ethnic group in the world.In this study,we systematically analyzed a total of 14,838 facial traits representing 15 categories with both a large-scale three-dimensional(3D)manual landmarking database and computer-aided facial segmented phenotyping in 2379 Han Chinese individuals.Our results illustrate that homogeneous and heterogeneous facial morphological traits exist among Han Chinese populations across the three geographical regions:Zhengzhou,Taizhou,and Nanning.We identifed 1560 shared features from extracted phenotypes,which characterized well the basic facial morphology of the Han Chinese.In particular,heterogeneous phenotypes showing population structures corresponded to geographical subpopulations.The greatest facial variation among these geographical populations was the angle of glabella,left subalare,and right cheilion(p=3.4×10^(−161)).Interestingly,we found that Han Chinese populations could be classifed into northern Han,central Han,and southern Han at the phenotypic level,and the facial morphological variation pattern of central Han Chinese was between the typical diferentiation of northern and southern Han Chinese.This result was highly consistent with the results revealed by the genetic data.These fndings provide new insights into the analysis of multidimensional phenotypes as well as a valuable resource for further facial phenotype-genotype association studies in Han Chinese and East Asian populations.

关键词： Phenotypes Three-dimensional facial imaging Facial morphology Han Chinese

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Riverine sulfate sources and behaviors in arid environment,Northwest China:Constraints from sulfur and oxygen isotopes

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Journal of Environmental Sciences 2024年第3期137卷 716-731页

作者： Yifu xu Wenjing Liu Bing xu Zhifang xu Key Laboratory of Cenozoic Geology and Environment Institute of Geology and GeophysicsChinese Academy of SciencesBeijing 100029China Innovation Academy for Earth Science Chinese Academy of SciencesBeijing 100029China University of Chinese Academy of Sciences Beijing 100049China

The fate of riverine sulfate ion (SO_(4)^(2-)) and its environmental effects in arid environment are difficult to evaluate due to its complicated sources and strongly coupled behaviors with water cycle which is significantly modified by humans.To understand the sulfur cycle in aquatic systems in arid environment,the chemical and sulfur and oxygen isotopic compositions (δ^(34)S_(SO4)and δ^(18)O_(SO4)) of major rivers around the Badain Jaran Desert,northwestern China,were investigated.These rivers had averaged SO_(4)^(2-)content at 1336μmol/L,over 10times higher than the global average.The δ^(34)S_(SO4)and δ^(18)O_(SO4)values ranged from-5.3‰to+11.8‰and+1.6‰to+12.8‰,respectively.The end-member analysis and the inverse model showed that riverine sulfate was mainly derived from evaporites dissolution (0-87%),sulfide oxidation (13%-100%) and precipitation (0-33%),indicating heterogeneity in sulfur sources and behaviors along the river drainage with the lithology variations and climate gradients.Multiple isotopic tools combining with hydro-chemistry compositions could be applied to reveal sulfur cycle in arid environment.Based on the calculation,sulfide oxidation plays the primary role in the headwater and upstream in the Qilian-Mountains area,where sulfide is widely exposed.While the proportion of evaporites dissolution contributing to riverine sulfate is much higher in downstream in a drier environment.Besides,less precipitation and higher temperature can lead to more intensive evaporation,affecting the process of sulfide oxidation and enhancing the rates of evaporites dissolution and sulfate precipitation in the basin.

关键词： Sulfur and oxygen isotopes Source apportionment Inverse model Arid environment Inland rivers Northwestern China

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Alternative Splicing of OsCYL4 Controls Drought Resistance via Regulating Water Loss and Reactive Oxygen Species-Scavenging in Rice

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Rice science 2024年第1期31卷 1-5,I0001-I0008页

作者： SHA Gan SHEN Xin WU Zini xu Xiaocan xu Xin tan Yanping LIU Xinqiong tanG Xianyin WANG Chuntai QIN Yonghua Hubei Provincial Key Laboratory for Protection and Application of Special Plants in Wuling Area College of Life SciencesSouth Central Minzu UniversityWuhan 430074China Huazhong Agricultural University Wuhan 430070China

A rice cyclase gene,OsCYL4b,identified as an alternative splice variant of the cyclase gene OsCYL4a,is involved in the regulation of drought stress and oxidative response.Compared with OsCYL4a,OsCYL4b lacks the second exon,which is located in the conserved motif 3,and may be a functionally important site.Our results suggested that OsCYL4b was responsive to multiple abiotic stresses,and was localized to both the cytoplasm and plasma membrane.The overexpression of OsCYL4b resulted in significantly enhanced drought and osmotic stress tolerance,reduced water loss,and increased abscisic acid(ABA)content compared with the wild type(WT).

关键词： drought Oxygen stress

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World Journal of Gastrointestinal Oncology 2024年第2期16卷 458-474页

作者： Wei Ding Wei-Wei Chen Yi-Qin Wang xue-Zhong xu Yi-Bo Wang Yong-Min Yan Yu-Lin tan Department of General Surgery Wujin Hospital Affiliated with Jiangsu UniversityChangzhou 213003Jiangsu ProvinceChina Changzhou Medical Center Nanjing Medical UniversityChangzhou 213017Jiangsu ProvinceChina Department of General Surgery The Wujin Clinical College of Xuzhou Medical UniversityChangzhou 213003Jiangsu ProvinceChina

BACKGROUND Gastric cancer(GC)is a prevalent malignant tumor of the gastrointestinal system.ZNF710 is a transcription factor(TF),and zinc finger protein 710(ZNF710)-AS1-201 is an immune-related long noncoding RNA(lncRNA)that is upregulated in GC cells.AIM To assess the correlation between ZNF710-AS1-201 and immune microenvir-onment features and to investigate the roles of ZNF710-AS1-201 in the invasion and metastasis processes of GC cells.METHODS We obtained data from The Cancer Genome Atlas and Wujin Hospital.We assessed cell growth,migration,invasion,and programmed cell death using cell counting kit-8,EdU,scratch,Transwell,and flow cytometry assays.Quantitative real-time polymerase chain reaction(qRT-PCR)was used to identify the potential downstream targets of ZNF710-AS1-201.RESULTS In GC tissues with low ZNF710-AS1-201 expression,immunoassays detected significant infiltration of various antitumor immune cells,such as memory CD8 T cells and activated CD4 T cells.In the low-expression group,the half-maximal inhibitory concentrations(IC_(50)s)of 5-fluorouracil,cisplatin,gemcitabine,and trametinib were lower,whereas the IC_(50)s of dasatinib and vorinostat were higher.The malignant degree of GC was higher and the stage was later in the high-expression group.Additionally,patients with high expression of ZNF710-AS1-201 had lower overall survival and disease-free survival rates.In vitro,the overexpression of ZNF710-AS1-201 greatly enhanced growth,metastasis,and infiltration while suppressing cell death in HGC-27 cells.In contrast,the reduced expression of ZNF710-AS1-201 greatly hindered cell growth,enhanced apoptosis,and suppressed the metastasis and invasion of MKN-45 cells.The expression changes in ZNF710 were significant,but the corresponding changes in isocitrate dehydrogenase-2,Semaphorin 4B,ARHGAP10,RGMB,hsa-miR-93-5p,and ZNF710-AS1-202 were not consistent or statistically significant after overexpression or knockdown of ZNF710-AS1-201,as determined by qRT-PCR.CONCLUSION Immune-related lncRNA ZNF710-AS1-201 faci

关键词： Gastric cancer ZNF710-AS1-201 Proliferation Metastasis Invasion Apoptosis

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Apically guiding electron/mass transfer reaction induced by Ag/FeNx Mott-Schottky effect within a hollow star reactor toward high performance zinc-air batteries

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Journal of Energy Chemistry 2024年第8期95卷 106-116页

作者： Kaixiang Shi Kaixin Wang Tong Li Junhao Li Jie Ren xu Li Yonggang Min Zhouguang Lu Wei tan Quanbing Liu Guangdong Provincial Laboratory of Chemistry and Fine Chemical Engineering Jieyang Center(Rongjiang Laboratory) Guangdong University of Technology Guangzhou Key Laboratory of Clean Transportation Energy Chemistry Guangdong Provincial Key Laboratory of Plant Resources Biorefinery School of Chemical Engineering and Light Industry Guangdong University of Technology Key Laboratory of Electrochemical Energy Storage and Energy Conversion of Hainan Province School of Chemistry and Chemical Engineering Hainan Normal University School of Materials and Energy Guangdong University of Technology Department of Materials Science and Engineering Southern University of Science and Technology

The disparity in the transfer of carriers（electrons/mass） during the reaction in zinc-air batteries（ZABs）results in sluggish kinetics of the oxygen reduction reaction（ORR） and oxygen evolution reaction（OER）,along with elevated overpotentials,thereby imposing additional constraints on its utilization.Therefore,the pre-design and target-development of inexpensive,high-performance,and long-term stable bifunctional catalysts are urgently needed.In this work,an apically guiding dual-functional electrocatalyst（Ag-FeNx-N-C） was prepared,in which a hierarchical porous nitrogen-doped carbon with three-dimensional（3D） hollow star-shaped structure is used as a substrate and high-conductivity Ag nanoparticles are coupled with iron nitride（FeNx） nanoparticles.Theoretical calculations indicate that the Mott-Schottky heterojunction as an inherent electric field comes from the two-phase bound of Ag and FeNx,of which electron accumulation in the FeNxphase region and electron depletion in the Ag phase region promote orientated-guiding charge migration.The effective modulation of local electronic structures felicitously reforms the d-band electron-group distribution,and intellectually tunes the masstransfer reaction energy barriers for both ORR/OER.Additionally,the hollow star-s haped hierarchical porous structure provides an apical region for fast mass transfer.Experimental results show that the halfwave potential for ORR is 0.914 V,and the overpotential for OER is only 327 mV at 10 mA cm-2.A rechargeable ZAB with Ag-FeNx-N-C as the air cathode demonstrates long-term cycling performance exceeding 1500 cycles（500 h）,with a power density of 180 mW cm-2.Moreover,when employing AgFeNx-N-C as the air cathode,flexible ZABs demonstrate a notable open-circuit voltage of 1.42 V and achieve a maximum power density of 65.6 mW cm-2.Ag-FeNx-N-C shows guiding electron/mass transfer route and apical reaction microenvironment for the electrocatalyst architecture in the exploration prospects of ZABs.

关键词： Apically guiding effect Bifunctional catalysis Hollow star structure Mott-Schottky effect Zinc-air batteries

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COVID-19 pandemic amplified mortality rates among adolescents with bipolar disorder through family-related factors

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World Journal of Clinical Cases 2024年第11期12卷 1929-1935页

作者： Zhuo-Fan Ye Yi-Han Hong Jian-Lin Yang Meng-Qing tan Ju-Min Xie Zu-Cai xu Department of Neurology The Affiliated Hospital of Zunyi Medical UniversityZunyi 563000Guizhou ProvinceChina Hubei Key Laboratory of Renal Disease Occurrence and Intervention Medical SchoolHubei Polytechnic UniversityHuangshi 435003Hubei ProvinceChina Psychological Children's Ward Mental Health Center of HuangshiHuangshi 435111Hubei ProvinceChina The Collaborative Innovation Center of Tissue Damage Repair and Regeneration Medicine Zunyi Medical UniversityZunyi 563000Guizhou ProvinceChina

BACKGROUND Recently,a growing number of adolescents have been afflicted with mental disorders,with annual morbidity rates on the rise.This trend has been exacerbated by the global coronavirus disease 2019(COVID-19)pandemic,leading to a surge in suicide and self-harm rates among this demographic.AIM To investigate the impact of the COVID-19 pandemic on adolescent bipolar disorder(BD),along with the underlying factors contributing to heightened rates of suicide and self-harm among adolescents.METHODS A comprehensive statistical analysis was conducted utilizing clinical interviews and self-reports obtained from patients or their guardians.Diagnostic criteria for BDs were based on the Diagnostic and statistical manual of mental disorders,international classification of diseases-11,and the National institute of mental health research domain criteria.Statistical analyses were performed using SPSS 26.0 software,with significance set at P<0.05.RESULTS A cohort of 171 adolescents diagnosed with BD between January 1,2018,and December 31,2022,was included in the analysis.The gender distribution was 2.8:1(female to male),with ages ranging from 11 to 18 years old.Major factors contributing to adolescent BDs included familial influences,academic stress,genetic predisposition and exposure to school-related violence.Notably,a significant increase in suicide attempts and self-harm incidents was observed among adolescents with BD during the COVID-19 pandemic.Statistical analysis indicated that the pandemic exacerbated familial discord and heightened academic stress,thereby amplifying the prevalence of suicidal behavior and self-harm among adolescents.CONCLUSION The COVID-19 pandemic has exacerbated familial tensions and intensified the incidence of suicide and self-harm among adolescents diagnosed with BD.This study underscores the urgent need for societal,familial and educational support systems to prioritize the well-being of adolescents and offers valuable insights and guidelines for the prevention,diagnosis and treatment of ad

关键词： Adolescents Bipolar disorder COVID-19 Suicide Self-harm

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ⅢA-ⅡB multicomponent perovskite rare earth ferrites with promising electromagnetic wave absorption properties

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Journal of Rare Earths 2024年第6期42卷 1118-1127,I0005页

作者： Yanyan He Tao Chen Yanyu Pan Minzhong Huang Kaixian Wang Liyan xue Yazhu Li Fengzhi tan Fan Yang Tongkuan xu Heng Chen School of Light Industry and Chemical Engineering Dalian Polytechnic UniversityDalian116034China Xiamen Institute of Rare EarthMaterials Haixi InstitutesChinese Academy of SciencesXiamen36021China Fujian Institute of Research on the Structure of Matter Chinese Academyof SciencesFuzhou350002China Fujian Science&Technology Innovation Laboratory for Optoelectronic Information of China Fuzhou350108China Xiamen Key-Laboratoryof Rare Earth Photoelectric Functional Materials Xiamen Institute of Rare Earth MaterialsHaixi InstituteChinese Academy of SciencesXiamen361021China Key Laboratory of Rare Earths Ganjiang Innovation AcademyChinese Academy of SciencesGanzhou3410ooChina

Perovskite-type rare-earth ferrites(REFeO_(3))are promising materials for absorbing electromagnetic(EM)wave pollution.However,insufficient dielectric loss and poor impedance matching are key factors that limit the broader implementation of REFeO_(3).Herein,a series of multicomponent perovskite-type ferrites with strong EM wave absorption capabilities was prepared.Through the synergistic effect of chemical constitution regulation and entropy regulation,optimization of the dielectric loss and impedance matching is achieved by strengthening the structural defect mechanism,thus further adjusting the EM wave absorption performance.Compared with(LaGdSmNdBa)FeO_(3)(HE-1)and(LaGdPrSmNdBa)FeO_(3)(HE-2),(LaGdBa)FeO_(3)(ME-1)and(LaGdSmBa)FeO_(3)(ME-2)exhibit favorable performance,with optimal minimum reflection loss(RL_(min))of-56.35 dB(at 11.12 GHz)and-63.25 dB(at 7.22 GHz)and effective absorption bandwidth(EAB)of 4.46 and 4.72 GHz,respectively.This multicomponent design provides a new strategy for the development of EM wave absorption materials.

关键词： Rare earths Multicomponent design Rare earth ferrites Entropy regulation Electromagnetic wave absorption

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Linking coral fluorescence phenotypes to thermal bleaching in the reef-building Galaxea fascicularis from the northern South China Sea

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Marine Life Science & Technology 2024年第1期6卷 155-167页

作者： Sanqiang Gong Jiayuan Liang Gang Li Lijia xu Yehui tan Xinqing Zheng xuejie Jin Kefu Yu Xiaomin Xia Key Laboratory of Tropical Marine Bio-Resources and Ecology&Guangdong Provincial Key Laboratory of Applied Marine Biology South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China Southern Marine Science and Engineering Guangdong Laboratory(Guangzhou) Guangzhou 510301China Coral Reef Research Center of China Guangxi UniversityNanning 53004China South China Institute of Environmental Sciences The Ministry of Ecology and Environment of PRCGuangzhou 510530China Third Institute of Oceanography Ministry of Natural ResourcesXiamen 361005China

Coral fluorescence phenotypes have been suggested as an adaptation to a broad range of environmental conditions,yet the mechanisms linking thermal bleaching tolerance in reef-building coral populations,associated with fluorescence phenotypes due to GFP-like proteins,remains unclear.In this study,the relationship between the thermal sensitivity and phenotypic plasticity of corals was investigated using two phenotypes of Galaxea fascicularis,green and brown.The results reveal that brown G.fascicularis was more susceptible to bleaching than green G.fascicularis when exposed to a higher growth temperature of 32℃.Both phenotypes of G.fascicularis were associated with the thermotolerant Symbiodiniaceae symbiont,Durusdinium trenchii.However,the brown G.fascicularis showed a significant decrease in Symbiodiniaceae cell density and a significant increase in pathogenic bacteria abundance when the growth temperature was raised from 29 to 32℃.The physiological traits and transcriptomic profiles of Symbiodiniaceae were not notably affected,but there were differences in the transcriptional levels of certain genes between the two phenotype hosts of G.fascicularis.Under heat stress of 32℃,the gene encoding green fluorescent protein(GFP)-like and chromosome-associated proteins,as well as genes related to oxidative phosphorylation,cell growth and death showed lower transcriptional levels in the brown G.fascicularis compared to the green G.fascicularis.Overall,the results demonstrate that the green form of G.fascicularis is better able to tolerate ocean warming and defend against pathogenic bacteria,likely due to higher gene transcription levels and defense ability.

关键词： Fluorescence phenotype Thermal bleaching Microbiome Galaxea fascicularis Ocean warming

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氯丙嗪在不同种属肝微粒体中代谢差异研究

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质谱学报 2022年第3期43卷 357-364页

作者：董凡谭叙何欣谢晴谭峰大连理工大学环境学院工业生态与环境工程教育部重点实验室辽宁大连116024 大连海关综合技术服务中心辽宁大连116001

采用体外肝微粒体孵育实验研究氯丙嗪在鼠、猪、鸡肝微粒体的代谢速率及代谢产物。利用液相色谱-串联质谱测定不同时间点氯丙嗪的峰面积,计算氯丙嗪的体外代谢率、代谢半衰期(T_(1/2))及固有清除率(CLint),通过氯丙嗪及其代谢产物的保... 详细信息

采用体外肝微粒体孵育实验研究氯丙嗪在鼠、猪、鸡肝微粒体的代谢速率及代谢产物。利用液相色谱-串联质谱测定不同时间点氯丙嗪的峰面积,计算氯丙嗪的体外代谢率、代谢半衰期(T_(1/2))及固有清除率(CLint),通过氯丙嗪及其代谢产物的保留时间、碎片离子等信息,推断氯丙嗪的代谢产物和代谢途径。结果表明,在猪、鼠、鸡肝微粒体孵育体系中,氯丙嗪的T_(1/2)分别为18.2、173.3、346.5 min,CLint分别为76.2、8.0、4.0μL/(min·mg)。在3种肝微粒体孵育体系中共发现8种代谢产物,在鼠、猪和鸡肝微粒体孵育体系中分别发现5种、7种和4种氯丙嗪代谢产物,均检测出产物氯丙嗪亚砜、去甲基氯丙嗪、6-羟基氯丙嗪和7-羟基氯丙嗪。氯丙嗪在肝微粒体孵育体系中的代谢途径以氧化、羟基化和去甲基反应为主,其在猪肝微粒体孵育体系中代谢和清除速度最快,其次是鼠、鸡,在不同种属肝微粒体孵育体系中代谢产物的种类和含量存在差异。

关键词：氯丙嗪肝微粒体代谢速率体外代谢

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