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Inhibiting the oligomerization of mycobacterial DNA-directed RNA polymerase(RNAP)using natural compound via in-silico techniques

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Medicine in Novel Technology and Devices 2024年第1期21卷 97-109页

作者： ehssan h.Moglad Department of Pharmaceutics College of PharmacyPrince Sattam Bin Abdulaziz UniversityP.O.Box 173 Alkharj 11942Saudi Arabia Department of Microbiology and Parasitology Institute of Medicinal and Aromatic Plants ResearchThe National Center for ResearchP.O.Box 2404KhartoumSudan

Mycobacterium tuberculosis(Mtb)is responsible for the spread of tuberculosis(TB).The current study employed virtual screening of 2569 natural compounds against the DNA-directed RNA polymerase(RNAP)of Mtb to identify the possible binders that can inhibit its *** in-silico methodology included molecular docking to the compounds,further,the stability and flexibility of the best complexes were studied using molecular dynamics simulation,the MM/GBSA binding free energy technique with energy decomposition,PCA,FeL,steered md simulation,and umbrella *** virtual screenings were conducted for the five RNAP subunits(chains A,B,C,D,and e)to identify a compound capable of inhibiting RNAP oligomerization.A promising compound,isoestradiol 3-benzoate,exhibited a low binding score(−7.28kcal/mol to−8.21kcal/mol)and showed binding ability with all subunits of the ***,the five complexes with isoestradiol 3-benzoate were selected for molecular dynamics simulation ***,RMSD showed that isoestradiol 3-benzoate bound with chain e showed the lowest RMSD of 0.49nm,while with chains A and B it had the most stable and consistent conformations with RMSD of 1.75nm and 1.2nm,*** h-bond between isoestradiol 3-benzoate and chains C and e showed the highest occupancy(58.27%,45.33%,and 50.80%,42.25%,11.75%).Moreover,the MMPBSA technique showed that isoestradiol 3-benzoate had a strong association with chains B and C(ΔGbind=−126.25±2.03 and−129.27±2.25).Additionally,free energy decomposition,PCA,FeL-steered md simulation,and umbrella sampling were also performed to validate the association of the ligand with the *** 3-benzoate binds strongly to chains B and e;therefore,it should be considered as viable candidate for inhibiting the formation of RNAP protein complex,concluded in this study.

关键词： Mycobacterium tuberculosis DNA-Directed RNA polymerase Docking Steered md simulation Natural compounds Binding free energy Umbrella sampling

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Methionine sources and genotype affect embryonic intestinal development,antioxidants,tight junctions,and growth-related gene expression in chickens

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Animal Nutrition 2024年第1期16卷 218-230页

作者： James K.Lugata Sawadi F.Ndunguru Gebrehaweria K.Reda Xénia e.Ozsváth eszter Angyal Levente Czeglédi Gabriella Gulyás Renáta Knop János Oláh Zoltán Mészár Rita Varga Brigitta Csernus Csaba Szabó Department of Animal Nutrition and Physiology Faculty of Agriculture and Food Sciences and Environmental ManagementUniversity of DebrecenDebrecenHungary Department of Animal husbandry Faculty of Agriculture and Food Sciences and Environmental ManagementUniversity of DebrecenDebrecenHungary Faculty of Agriculture and Food Sciences and environmental Management Doctoral School of Animal ScienceUniversity of DebrecenDebrecenHungary Institutes for Agricultural Research and educational Farm University of DebrecenDebrecenHungary Department of Anatomy Histology and EmbryologyFaculty of MedicineUniversity of DebrecenDebrecenHungary Department of evolutionary Zoology and human Biology Faculty of Science and TechnologyUniversity of DebrecenDebrecenHungary

Methionine(Met)is an essential and first limiting amino acid in the poultry diet that plays a significant role in chicken embryonic development and *** present study examined the effect of in ovo injection of DL-Met and L-Met sources and genotypes on chicken embryonic-intestinal development and *** eggs of the two genotypes,TeTRA-SL layer hybrid(TSL)—commercial layer hybrid and hungarian Partridge colored hen breed(hPC)—a native genotype,were randomly distributed into four treatments for each *** treatment groups include the following:1)control non-injected eggs(NoIn);2)saline-injected(SaIn);3)DL-Met injected(DLM);and 4)L-Met injected(LM).The in ovo injection was carried out on 17.5 d of embryonic development;after hatching,eight chicks per group were sacrificed,and the jejunum was extracted for *** results showed that both DLM and LM groups had enhanced intestinal development as evidenced by increased villus width,villus height,and villus area(Ped to the *** DLM group had significantly reduced crypt depth,glutathione(GSh)content,glutathione S-transferase 3 alpha(GST3),occludin(OCLN)gene expression and increased villus height to crypt depth ratio in the TSL genotype than the LM group(Phe hPC genotype has overexpressed insulin-like growth factor 1(IGF1)gene,tricellulin(md2),occludin(OCLN),superoxide dismutase 1(SOD1),and GST3 genes than the TSL genotype(Phese findings showed that in ovo injection of Met enhanced intestinal development,and function,with genotypes responding differently under normal *** also influenced the expression of intestinal antioxidants,tight junction,and growth-related genes.

关键词： DL-Methionine L-Methionine In ovo injection Intestinal development Poultry

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光驱动Rh/InGaN_(1-x)O_(x)纳米组装体甲烷干重整制合成气

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Science Bulletin 2024年第10期69卷 1400-1409页

作者：李亦昕李景林俞天奇邱亮 Syed M.Najib hasan 姚琳潘虎 Shamsul Arafin Sharif md.Sadaf 朱磊周宝文 Key Laboratory for Power Machinery and engineering of Ministry of education Research Center for Renewable Synthetic FuelSchool of Mechanical EngineeringShanghai Jiao Tong UniversityShanghai 200240China China-UK Low Carbon College Shanghai Jiao Tong UniversityShanghai 201306China Centre energie Matériaux et TélécommunicationsInstitut National de la Recherche Scientifique(INRS)-Universitédu QuébecVarennes J3X 1E4Canada Department of electrical and Computer engineering The Ohio State UniversityColumbusOH43210USA

Light-driven dry reforming of methane toward syngas presents a proper solution for alleviating climate change and for the sustainable supply of transportation fuels and ***,Rh/InGaN_(1-x)O_(x) nanowires supported by silicon wafer are explored as an ideal platform for loading Rh nanoparticles,thus assembling a new nanoarchitecture for this grand *** combination with the remarkable photothermal synergy,the O atoms in Rh/InGaN_(1-x)O_(x) can significantly lower the apparent activation energy of dry reforming of methane from 2.96 eV downward to 1.70 *** as-designed Rh/InGaN_(1-x)O_(x) NWs nanoarchitecture thus demonstrates a measurable syngas evolution rate of 180.9 mmol g_(cat)^(-1) h^(-1) with a marked selectivity of 96.3% under concentrated light illumination of 6 W cm^(-2).What is more,a high turnover number(TON)of 4182 mol syngas per mole Rh has been realized after six reuse cycles without obvious activity *** correlative 18O isotope labeling experiments,in-situ irradiated X-ray photoelectron spectroscopy(ISI-XPS)and in-situ diffuse reflectance Fourier transform infrared spectroscopy characterizations,as well as density functional theory calculations reveal that under light illumination,Rh/InGaN_(1-x)O_(x) NWs facilitate releasing^(*)Ch_(3) and h^(+)from Ch_(4) by holes,followed by h_(2) evolution from h^(+)reduction with ***,the O atoms in Rh/InGaN_(1-x)O_(x) can directly participate in CO generation by reacting with the ^(*)C species from Ch_(4) dehydrogenation and contributes to the coke elimination,in concurrent formation of O *** resultant O vacancies are then replenished by CO_(2),showing an ideal chemical *** work presents a green strategy for syngas production via light-driven dry reforming of methane.

关键词： Dry reforming of methane Photo-thermal catalysis Rh/InGaN_(1-x)O_(x)nanowires

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超声波焊接能量对大直径线束-端子接头性能影响

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应用声学 2024年第4期43卷 799-806页

作者：许龙洪宛璐赵伦李承旺雷乐张溟晨梁召峰周光平 md Shafiqul Islam 中国计量大学理学院杭州310018 深圳职业技术学院智能制造技术研究院深圳518055 瑞典布京理工学院机械学院卡尔斯克鲁纳37179

线束与端子的连接技术在新能源汽车上的需求日益增大。传统连接方式存在耗能高、性能不稳定、产生污染等缺点,因此超声波焊接技术被推广应用到新能源汽车的线束连接上。该文以eVRP5平方屏蔽高压线为研究对象,采用单一变量法对线束进行... 详细信息

线束与端子的连接技术在新能源汽车上的需求日益增大。传统连接方式存在耗能高、性能不稳定、产生污染等缺点,因此超声波焊接技术被推广应用到新能源汽车的线束连接上。该文以eVRP5平方屏蔽高压线为研究对象,采用单一变量法对线束进行超声波焊接试验,以焊接能量为变量,通过力学性能测试、微观分析和超声波检测分析超声波的焊接机理。试验结果表明,当焊接能量为5 kJ时,接头抗拉力为2616 N;当焊接能量为11 kJ时,接头抗拉力提高至6650 N。在一定范围内,随着焊接能量的不断增大,接头由靠近工具头处和焊接界面处向内,由未连接状态到点连接、线连接、面连接最终逐渐形成原子间键合。

关键词：超声波焊接线束焊接能量力学性能

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Chemically and biologically activated biochars slow down urea hydrolysis and improve nitrogen use efficiency

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Pedosphere 2023年第4期33卷 659-669页

作者： Nazmul h.ANTOR Shamim MIA md.M.hASAN Nowrose J.LIPI Keiji JINDO Miguel A.SANCheZ-MONeDeRO md.h.RAShID Department of Agronomy Patuakhali Science and Technology UniversityDumkiPatuakhali 8602(Bangladesh) Agrosystems Research Groups Wageningen University and ResearchWageningen 6700 AA(The Netherlands) Department of Soil and Water Conservation and Organic Waste Management Spanish National Research Council(CEBAS-CSIC)Murcia 30100(Spain)

Biochar is considered a potential technology to enhance chemical fertilizer use efficiency through intensification of the interactions between nutrients and the functional groups on biochar ***,little is known about how the application of activated biochars mixed with urea influences nitrogen(N)mineralization and crop performance in paddy ***,a sawdust-derived fresh biochar(FBC)(ca.400℃)was activated chemically with 15%hydrogen peroxide and biologically with a nutrient solution mixed with a soil inoculum to obtain a chemically activated biochar(CBC)and a biologically activated biochar(BBC),*** chemical and surface properties of FBC,CBC,and BBC were evaluated using spectroscopic methods,i.e.,Fourier transform infrared spectroscopy and 13C nuclear magnetic resonance,and potentiometric charge *** N retention capacity of biochars and their interaction with urea hydrolysis were examined in a laboratory incubation ***,a field experiment was carried out in a paddy field with the biochars unmixed or mixed with urea at a 1:1 *** results showed that negative surface functional groups and negative charges were increased on both activated biochars,especially *** activated biochars contributed to a significant reduction in urea-biochar suspension ph and increased N retention in the incubation *** the enhanced surface properties of the activated biochars,no similar increases in rice biomass and grain yield were observed for these biochars in the field ***,rice biomass,grain yield,apparent N use efficiency,and agronomic N use efficiency were significantly higher with the application of the three biochars compared to no-biochar ***,the results indicate that the application of urea mixed with biochar could enhance crop performance,especially in the case of activated biochar,which would enhance N retention in the soil,reducing N loss.

关键词： chemical property crop yield functionalized biochar nitrogen uptake nutrient use efficiency pyrolysis

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hybrid-Vlasov simulation of soft X-ray emissions at the earth’s dayside magnetospheric boundaries

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earth and Planetary Physics 2024年第1期8卷 70-88页

作者： M.Grandin h.K.Connor S.hoilijoki M.Battarbee Y.Pfau-Kempf U.Ganse K.Papadakis M.Palmroth Department of Physics University of HelsinkiHelsinkiFinland NASA Goddard Space Flight Center GreenbeltMD20771USA Space and earth Observation Centre Finnish Meteorological InstituteHelsinkiFinland

Solar wind charge exchange produces emissions in the soft X-ray energy range which can enable the study of near-earth space regions such as the magnetopause,the magnetosheath and the polar cusps by remote sensing *** Solar wind Magnetosphere Ionosphere Link explorer(SMILe)and Lunar environment heliospheric X-ray Imager(LeXI)missions aim to obtain soft Xray images of near-earth space thanks to their Soft X-ray Imager(SXI)*** earlier modeling works have already simulated soft X-ray images as might be obtained by SMILe SXI during its mission,the numerical models used so far are all based on the magnetohydrodynamics description of the space *** investigate the possible signatures of ion-kinetic-scale processes in soft Xray images,we use for the first time a global hybrid-Vlasov simulation of the geospace from the Vlasiator *** simulation is driven by fast and tenuous solar wind conditions and purely southward interplanetary magnetic *** first produce global X-ray images of the dayside near-earth space by placing a virtual imaging satellite at two different locations,providing meridional and equatorial *** then analyze regional features present in the images and show that they correspond to signatures in soft X-ray emissions of mirrormode wave structures in the magnetosheath and flux transfer events(FTes)at the *** results suggest that,although the time scales associated with the motion of those transient phenomena will likely be significantly smaller than the integration time of the SMILe and LeXI imagers,mirror-mode structures and FTes can cumulatively produce detectable signatures in the soft X-ray *** instance,a local increase by 30%in the proton density at the dayside magnetopause resulting from the transit of multiple FTes leads to a 12%enhancement in the line-of-sight-and time-integrated soft X-ray emissivity originating from this ***,a proton density increase by 14%in the magnetosheath

关键词： magnetosphere magnetosheath numerical simulation SMILe LeXI soft X-ray emissions hybrid-Vlasov model polar cusp flux transfer events mirror-mode waves

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effects of Root Growth of Deep and Shallow Rooting Rice Cultivars in Compacted Paddy Soils on Subsequent Rice Growth

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Rice science 2023年第5期30卷 459-472,I0022-I0024页

作者： md.Dhin ISLAM Adam h.PRICe Paul D.hALLeTT School of Biological Sciences University of AberdeenSt Machar DrAberdeen AB243UUthe United Kingdom Faculty of Agriculture Bangabandhu Sheikh Mujibur Rahman Agricultural UniversityGazipur-1706Bangladesh

Rice is often grown as multiple seasons in one year,alternating between flooded and upland systems.A major constraint,introduced from the flooded system,is a plough pan that may decrease rooting depth and productivity of follow-on upland *** penetrating the plough pan under flooded rice system can leave a legacy of weaker root growth *** rooting rice cultivars could have a bigger impact,but no direct evidence is *** explore whether a deep rather than a shallow rooting rice cultivar grown in a flooded cropping cycle benefited deeper root growth of follow-on rice in an upland,reduced tillage cropping cycle,a simulated flooded paddy in greenhouse was planted with deep(Black Gora) and shallow(IR64) rooting cultivars and a plant-free *** plough pans were made in between the topsoil and subsoil to form different treatments with no plough pan(0.35 MPa),soft plough pan(1.03 MPa) and hard plough pan(1.70 MPa).After harvest of this ‘first season’ rice,the soil was drained and undisturbed to simulate zero-tillage upland and planted rice cultivar BRRI Dhan *** overall root length density(RLD),root surface area,the numbers of root tips and branching of BRRI Dhan 28 did not vary between plough pan and no plough pan *** with the shallow rooting rice genotype,the deep rooting rice genotype as ‘first season’ crop produced 19% greater RLD,34% greater surface area and 29% more branching of BRRI Dhan 28 in the *** the topsoil,however,BRRI Dhan 28 had 28% greater RLD,35% greater surface area and 43% more branching for the shallow rather than deep rooting genotype planted in the ‘first season’.The results suggested that rice cultivar selection for a paddy cycle affects root growth of a follow-on rice crop grown under no-till,with benefits to subsoil access from deep rooting cultivars and topsoil proliferation for shallow rooting cultivars.

关键词： plough pan root growth biopores crop rotation Oryza sativa preceding crop zero-tillage

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Towards electric digital twin grid: Technology and framework review

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能源与人工智能(英文) 2023年第1期11卷 179-195页

作者： md.Mhamud hussen Sifat Safwat Mukarrama Choudhury Sajal K.Das md.hafiz Ahamed S.M.Muyeen md.Mehedi hasan md.Firoj Ali Zinat Tasneem md.Manirul Islam md.Robiul Islam md.Faisal R.Badal Sarafat h.Abhi Subrata K.Sarker Prangon Das Department of Mechatronics engineering Rajshahi University of Engineering&TechnologyRajshahi6204Bangladesh Department of electrical engineering Qatar UniversityDoha2713Qatar

The major hindrances in the energy system are ecological consciousness, lack of clean and sustainableenergy management, insufficient energy distribution–transmission–optimization, expensive power transfercosts, and increased customer knowledge of energy charges. Thus why, universal access to the grid with highcybersecurity, and reliability is needed to solve all these challenges. The digital twin concept turns a newdimension of technology into the world. electric Digital Twin grid can perform online analysis of the grid inreal-time and integrates all the past and present data and express the current grid status to the producers andconsumers and also predicts the future grid status. Thus, the power grid transmission loss and location of theoverheated line and power connection missing can be detected in addition decision-making and self-healingcan possible. The future prediction saves the power grid from small to long accidents such as power outagesand even blackout problems. The whole consumers and nation feel relief from these types of accidents andsaves from large economic and business loss. The blockchain-enabled digital twin grid provides high securityfor the grid from cyberattacks. The paper conveys the framework of the electric digital twin grid and theconcept of the DT grid processing and the way of serving the producer, prosumers, consumers even the wholenation in infrastructure, education, research, economic, business, and political development.

关键词： electric digital twin grid Online analysis of grid Cloud platform of grid Real-time grid analysis Self-healing Cybersecurity

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Role of h2 receptor blocker famotidine over the clinical recovery of COVID-19 patients: A randomized controlled trial

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World Journal of Clinical Cases 2022年第23期10卷 8170-8185页

作者： Abu Taiub Mohammed Mohiuddin Chowdhury Aktar Kamal md Kafil Uddin Abbas md Rezaul Karim md Ahsan Ali Shubhashis Talukder h M hamidullah Mehedi hamid hassan Abul hossain Shahin Yarui Li Shuixiang he Department of Gastroenterology The First Affiliated Hospital of Xi'an Jiaotong UniversityXi'an 710061Shaanxi ProvinceChina Ministry of health and Family Welfare(OSDDGhS) Dhaka 1212Bangladesh Critical Care Unit M Abdur Rahim Medical College HospitalDinajpur 5200Bangladesh Critical Care Unit Cox's Bazar 250 Bed District Sadar HospitalCox's Bazar 4700Bangladesh Department of Neurology University Hospital LimerickLimerick V94 T9PXIreland Department of histology Xi'an Jiaotong UniversityXi'an 710061Shaanxi ProvinceChina Intensive Care Unit 250 Bed Chattogram General HospitalChittagong 4000Bangladesh Department of Medicine 250 Bed Chattogram General HospitalChittagong 4000Bangladesh Department of emergency Chattogram Medical College HospitalChittagong 4000Bangladesh Department of Cardiology 250 Bed Chattogram General HospitalChittagong 4000Bangladesh

BACKGROUND Coronavirus disease 2019(COVID-19)is a global pandemic putting the population at a high risk of infection-related health hazards,mortality and a potential failure of proper medical ***,it is necessary to evaluate the potential use of the existing drugs that could be used as options for the medical management of COVID-19 *** To evaluate the role of the h_(2) receptor blocker“famotidine”in COVID-19 *** This study was done on seriously ill COVID-19 patients admitted to the intensive care unit(ICU)from different institutes in *** were divided into famotidine treatment group“A”(famotidine 40 mg to 60 mg oral formulation every 8 h with other treatment as given),and control group“B”(treatment as given).National early warning score(NeWS)-2,and sequential organ failure assessment day-1 score was calculated to evaluate the *** were evaluated by the time required for clinical improvement,characterized as duration required from enrollment to the achievement of NeWS-2 of≤2 maintained for 24 h;time to symptomatic recovery,defined as the duration in days(from randomization)required for the recovery of the COVID-19 symptoms;mortality rate;duration of ICU and hospital stay;total period of hospitalization;the rate of supplementary oxygen requirement;the computed tomography(CT)chest recovery(%),the time required for the viral clearance and“NeWS-2”on *** A total of 208 patients were enrolled in this study with 104 patients in each *** famotidine treatment group had comparatively better recovery of 75%and a low mortality of 25%than the control with a recovery of 70%and a mortality of 30%.Duration of clinical improvement(group A 9.53 d,group B 14.21 d);hospitalization period among the recovered patients(group A 13.04 d,group B 16.31 d),pulmonary improvement in chest CT(group A 21.7%,group B 13.2%),and the time for viral clearance(group A 20.7 d,group B 23.8 d)were found to be statistically si

关键词： COVID-19 SARS-CoV-2 Famotidine COVID-19 acute respiratory distress syndrome COVID-19 treatment Bangladesh

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efficient Feature Selection and Machine Learning Based ADhD Detection Using eeG Signal

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Computers, Materials & Continua 2022年第9期72卷 5179-5195页

作者： md.Maniruzzaman Jungpil Shin md.Al Mehedi hasan Akira Yasumura School of Computer Science and engineering The University of AizuAizuwakamatsuFukushima965-8580Japan Faculty of humanities and Social Science Kumamoto UniversityChuo-kuKumamotoJapan

Attention deficit hyperactivity disorder(ADhD)is one of the most common psychiatric and neurobehavioral disorders in children,affecting 11%of children *** study aimed to propose a machine learning(ML)-based algorithm for discriminating ADhD from healthy children using their electroencephalography(eeG)*** study included 61 children with ADhD and 60 healthy children aged 7–12 *** morphological and time-domain features were extracted from eeG *** t-test(p-valueeast absolute shrinkage and selection operator(LASSO)were used to select potential features of children with ADhD and enhance the classification *** selected potential features were used in four ML-based algorithms,including support vector machine(SVM),k-nearest neighbors,multilayer perceptron(MLP),and logistic regression,to classify ADhD and healthy *** overall prevalence of boys and girls with ADhD was 48.9%and 56.5%,*** average age of children with ADhD was 9.6±1.8 *** results illustrated that the combination of LASSO with SVM classifier achieved the highest accuracy of 94.2%,sensitivity of 93.3%,F1-score of 91.9%,and AUC of *** results also illustrated that MLP was the second-best ML-based classifier,which gave 93.4%accuracy,91.7%sensitivity,91.1%F1-score,and 0.960 *** findings indicated that the combination of the LASSO-based feature selection method and SVM classifier can be a useful tool for selecting reliable/potential features and classifying ADhD and healthy *** proposed ML-based algorithms could be useful for the early diagnosis of children with ADhD.

关键词： ADhD feature extraction feature selection classification machine learning

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