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Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis

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Food Science and Human Wellness 2024年第3期13卷 1636-1644页

作者： Zishan Hong Jing Xie Liang Tao Jing-Jing Dai Tingting Li Li Zhang Yuying Bai Xia Hu Jinlian Chen Jun Sheng Yang Tian College of Food Science and Technology Yunnan Agricultural UniversityKunming 650201China Yunnan Provincial Key Laboratory of Precision Nutrition and Personalized Food Manufacturing Yunnan Agricultural UniversityKunming 650201China engineering Research Center of Development and Utilization of Food and Drug Homologous Resources Ministry of EducationYunnan Agricultural UniversityKunming 650201China School of Tea and Coffee Pu’er UniversityPu’er 665000China Yunnan Provincial engineering Research Center for Edible and Medicinal Homologous Functional Food Yunnan Agricultural UniversityKunming 650201China Key Laboratory of Pu-er Tea Science Ministry of EducationYunnan Agricultural UniversityKunming 650201China

Walnut dreg protein hydrolysates(WDPHs)exhibit a variety of biological activities,however,the cyclooxygenase-2(COX-2)inhibitory peptide of WDPHs remain *** aim of this study was to rapidly screen for such peptides in WDPHs through a combination of in silico and in vitro *** total,1262 peptide sequences were observed by nano liquid chromatography/tandem mass spectrometry(nano LC-MS/MS)and 4 novel COX-2 inhibitory peptides(AGFP,FPGA,LFPD,and VGFP)were *** kinetic data indicated that AGFP,FPGA,and LFPD displayed mixed-type COX-2 inhibition,whereas VGFP was a non-competitive *** is mainly because the peptides form hydrogen bonds and hydrophobic interactions with residues in the COX-2 active *** results demonstrate that computer analysis combined with in vitro evaluation allows for rapid screening of COX-2 inhibitory peptides in walnut protein dregs.

关键词： Walnut dreg proteins Cyclooxygenase-2 inhibitory peptide Identification Virtual screening Molecular docking

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Interaction Mechanisms between Natural Debris Flow and Rigid Barrier Deflectors:A New Perspective for Rational Design and Optimal Arrangement

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Computer Modeling in engineering & Sciences 2024年第5期139卷 1679-1699页

作者： Yu Huang Beilei Liu Dianlei Feng Hao Shi department of Geotechnical engineering College of Civil EngineeringTongji UniversityShanghai200092China department of Hydraulic engineering College of Civil EngineeringTongji UniversityShanghai200092China

Rigid barrier deflectors can effectively prevent overspilling landslides,and can satisfy disaster prevention ***,the mechanisms of interaction between natural granular flow and rigid barrier deflectors require further *** date,few studies have investigated the impact of deflectors on controlling viscous debris flows for geological disaster *** investigate the effect of rigid barrier deflectors on impact mechanisms,a numerical model using the smoothed particle hydrodynamics(SPH)method with the Herschel–Bulkley model is proposed to simulate the interaction between natural viscous flow and single/dual barriers with and without *** model was validated using laboratory flume test data from the ***,the model was used to investigate the influence of the deflector angle and multi-barrier *** optimal configuration of multi-barriers was analyzed with consideration to the barrier height and distance between the barriers,because these metrics have a significant impact on the viscous flow pile-up,run-up,and overflow *** investigation considered the energy dissipation process,retention efficiency,and dead-zone *** with bare barriers with similar geometric characteristics and spatial distribution,rigid barriers with deflectors exhibit superior effectiveness in preventing the overflow and overspilling of viscous debris *** for the rational design of deflectors and the optimal arrangement of multi-barriers are provided to mitigate geological disasters.

关键词： Rigid barrier deflectors deflector angle single-barrier dual-barrier arrangements viscous debris flow over-spilling delta-plus-SPH

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Design of a large-scale model for wind tunnel test of a multiadaptive flap concept

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Chinese Journal of Aeronautics 2024年第2期37卷 58-80页

作者： Mürüvvet Sinem SICIM DEMIRCI Rosario PECORA Metin Orhan KAYA Aeronautical engineering department Istanbul Technical UniversityIstanbulTurkey Industrial engineering department University of Naples Federico IINapoliItaly

The design and application of morphing systems are ongoing issues compelling the aviation *** Clean Sky-program represents the most significant aeronautical research ever launched in Europe on advanced technologies for greening next-generation *** primary purpose of the program is to develop new concepts aimed at decreasing the effects of aviation on the environment,increasing reliability,and promoting eco-friendly *** ambitions are pursued through research on enabling technologies fostering noise and gas emissions reduction,mainly by improving aircraft aerodynamic *** the Clean Sky framework,a multimodal morphing flap device was designed based on tight industrial requirements and tailored for large civil aircraft *** flap is deployed in one unique setting,and its cross section is morphed differently in take-off and landing to get the necessary extra lift for the specific flight ***,during the cruise,the tip of the flap is deflected for load control and induced drag *** manufacturing the first flap prototype,a high-speed(Ma=0.3),large-scale test campaign(geometric scale factor 1:3)was deemed necessary to validate the performance improvements brought by this novel system at the aircraft *** the other hand,the geometrical scaling of the flap prototype was considered impracticable due to the unscalability of the embedded mechanisms and actuators for shape ***,a new architecture was conceived for the flap model to comply with the scaled dimensions requirements,withstand the relevant loads expected during the wind tunnel tests and emulate the shape transition capabilities of the true-scale *** strategies were developed to effectively morph the model during wind tunnel tests while ensuring the robustness of each morphed configuration and maintaining adequate stiffness levels to prevent undesirable deviations from the intended aerodynamic ***,

关键词： Morphing structures Smart aircraft Morphing flap Adaptive systems Finger-like ribs Wind tunnel tests Large-scale morphing archi-tectures Variable camber airfoil

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Exploring the material basis and mechanism of Moringa oleifera in alleviating slow transit constipation based on network pharmacology and animal models

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Food Science and Human Wellness 2024年

作者： Sijin Li Xiaoyu Gao Kaifeng Guo Shuangfeng Liu Weiqian Yang Yan Zhao Jun Sheng Zhongbin Bai Yang Tian College of Food Science and Technology Yunnan agricultural University Yunnan Key Laboratory of Precision Nutrition and Personalized Food Manufacturing Yunnan agricultural University department of Science and Technology Yunnan agricultural University College of Veterinary Medicine Yunnan agricultural University engineering Research Center of Development and Utilization of Food and Drug Homologous Resources Ministry of Education Yunnan agricultural University

Moringa oleifera(M. oleifera) have laxative effects， but their active compositions and mechanisms are not very clear thus far. To this end， we systematically explored the active components and mechanism of M. oleifera leaves in relieving constipation by using the slow transit constipation (STC) mouse model and network pharmacology. The results of animal experiments showed that M. oleifera aqueous extract (MOA) had good laxative activity， and its 70% alcohol soluble part (ASP) also showed significant laxative activity(P < 0.01). Network pharmacological prediction results suggested that L-phenylalanine (Phe) was the key compound of ASP， and it might relieve constipation through tachykinin receptor 1 (TACR1) and three kinds of adrenergic receptors， including alpha-1a (ADRA1A)， alpha-2a (ADRA2A)， and alpha-2b (ADRA2B). Further animal experiment results showed that Phe significantly promoted gastrointestinal motility. Phe may relieve STC by enhancing the release of substance P (SP) and upregulating the mRNA expression of TACR1 in the ileum. Importantly， Phe may also promote intestinal movement by downregulating ADRA2A and ADRA2B and upregulating calmodulin and the mRNA and protein expression of myosin light chain 9 (MYL9) in the ileum， thereby activating the GPCR-MLC signaling pathway. These results lay a foundation for the application of M. oleifera and Phe in constipation.

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Deciphering the controlling factors for phase transitions in zeolitic imidazolate frameworks

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National Science Review 2024年第4期11卷 151-163页

作者： Tao Du Shanwu Li Sudheer Ganisetti Mathieu Bauchy Yuanzheng Yue Morten M.Smedskjaer department of Chemistry and Bioscience Aalborg University department of Mechanical engineering-engineering Mechanics Michigan Technological University Physics of Amo Rphous and Inorganic Solids Laboratory(PARISlab) Department of Civil and Environmental EngineeringUniversity of CaliforniaLos Angeles

Zeolitic imidazolate frameworks（ZIFs） feature complex phase transitions, including polymorphism,melting, vitrification, and polyamorphism. Experimentally probing their structural evolution during transitions involving amorphous phases is a significant challenge, especially at the medium-range length scale. To overcome this challenge, here we first train a deep learning-based force field to identify the structural characteristics of both crystalline and non-crystalline ZIF phases. This allows us to reproduce the structural evolution trend during the melting of crystals and formation of ZIF glasses at various length scales with an accuracy comparable to that of ab initio molecular dynamics, yet at a much lower computational cost. Based on this approach, we propose a new structural descriptor, namely, the ring orientation index, to capture the propensity for crystallization of ZIF-4(Zn（Im）2, Im = C3H3N2-) glasses, as well as for the formation of ZIF-zni(Zn（Im）2) out of the high-density amorphous phase. This crystal formation process is a result of the reorientation of imidazole rings by sacrificing the order of the structure around the zinc-centered tetrahedra. The outcomes of this work are useful for studying phase transitions in other metal-organic frameworks（MOFs） and may thus guide the development of MOF glasses.

关键词： metal-organic frameworks phase transitions melting glass formation transferable deep learning force field ring orientation

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Storing Freshwater Versus Storing Electricity in Power Systems with High Freshwater Electric Demand

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Journal of Modern Power Systems and Clean Energy 2024年第2期12卷 323-333页

作者： Mubarak J.Al-Mubarak Antonio J.Conejo department of Electrical and Computer engineering The Ohio State UniversityColumbusOHUSA department of Electrical engineering Kuwait UniversityP.O.Box 5969Safat 13060Kuwait department of Integrated Systems engineering and the department of Electrical and Computer engineering The Ohio State UniversityColumbusOH 43210USA IEEE

We consider a power system whose electric demand pertaining to freshwater production is high(high freshwater electric demand),as in the Middle East,and investigate the tradeoff of storing freshwater in tanks versus storing electricity in batteries at the day-ahead operation *** storing freshwater and storing electricity increase the actual electric demand at valley hours and decrease it at peak hours,which is generally beneficial in term of cost and ***,to what extent?We analyze this question considering three power systems with different generation-mix configurations,i.e.,a thermal-dominated mix,a renewable-dominated one,and a fully renewable *** generation-mix configurations are inspired by how power systems may evolve in different countries in the Middle *** production uncertainty is compactly modeled using chance *** draw conclusions on how both storage facilities(freshwater and electricity)complement each other to render an optimal operation of the power system.

关键词： Power system operation freshwater production and transportation coordination day-ahead scheduling

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Tuning electronic properties of cobalt phthalocyanines for oxygen reduction and evolution reactions

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Science China Chemistry 2024年第1期67卷 398-407页

作者： Jianlin Jiang Zhen Liu Shuaijun Pan Xinnian Xia Bing Qin Yang Hu Xuxu Wang Jiamin Lan Yu Gu Encai Ou Weijian Xu Joseph J.Richardson Rui Guo SINOPEC Research Institute of Petroleum Processing Co. Ltd.Beijing 100083China College of Chemistry and Chemical engineering Hunan UniversityChangsha 410082China College of Chemistry and Materials Science Hunan Agricultural UniversityChangsha 410128China department of Chemical engineering The University of MelbourneParkville 3010Australia College of Environmental Science and engineering Hunan UniversityChangsha 410082China School of engineering RMIT UniversityMelbourneVictoria 3001Australia

Metal–phthalocyanines are a class of catalytically active materials promising in energy conversion and storage fields(e.g.,electrocatalysis).However,understanding and controlling the electrochemical properties in metal-phthalocyanine systems is ***,we elucidate the electrocatalytic origins of a series of cobalt-phthalocyanine molecular catalysts and finetune their electronic properties at the atomic level,both experimentally and *** interactions between the cobalt center and the local coordination environment are regulated by introducing either electron-donating or electron-withdrawing groups on the phthalocyanine ligand,and the spin-orbit splitting of cobalt is increased by~0.15 eV compared with the nonsubstituted ***,the aminated cobalt phthalocyanine-based electrocatalysts exhibit low free energies in the ratedetermining steps of the oxygen reduction(-1.68 eV)and oxygen evolution reactions(0.37 eV).This contributes to the high electrocatalytic activity(e.g.,a halfwave potential of 0.84 V and an overpotential of 0.30 V at 10 mAcm^(-2)),featuring a high selectivity of a four-electron pathway(i.e.,a negligible by-product of hydrogen peroxide).These catalysts also exhibit exceptional kinetic current density(Tafel slope of 100 mV dec^(-1))in oxygen reduction reactions,in addition to a superior power density(158 mWcm^(-2))and a high cycling stability(>1,300 cycles)in Zn-air batteries,outperforming the commercial Pt/C and/or RuO2counterparts.

关键词： interfacial wettability molecular catalysts carbon nanotubes density functional theory electrochemistry

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Mechanical performance of cold mix asphalt containing cup lump rubber as a sustainable bio-modifier

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Journal of Traffic and Transportation engineering(English Edition) 2024年第3期11卷 424-440页

作者： Syed Abdul Ghafar Muhammad Naqiuddin Mohd Warid Norhidayah Abdul Hassan Zulfiqar Ali Jattak Ashraf Abdalla Mohammed Radwan Faculty of Civil engineering Universiti Teknologi MalaysiaSkudai 81310Malaysia department of Civil engineering Balochistan University of Information TechnologyEngineering&Management SciencesQuettaPakistan department of Civil engineering Balochistan University of Engineering and TechnologyKhuzdarPakistan department of Civil engineering Faculty of EngineeringUniversity of TripoliTripoliLibya

The road construction industry aims to contribute to the protection of already compromised *** mix asphalt(CMA)is a measure initiated by the road industry to protect the environment and preserve *** having additional benefits,CMA has attracted little attention due to its inferior ***'s performance is enhanced using a sustainable binder bio-modifier,natural cup lump rubber(CLR)is one of *** study evaluated the tensile properties,rutting,moisture susceptibility,and adhesion properties of CLR-modified CMA(CMA-CR).The tensile property was enhanced by 26%due to CLR ***-CR had excellent rutting resistance of less than 2 mm rut depth at 10,000 load cycles,showing 70%improvement compared with conventional *** susceptibility evaluation indicated that CMA-CR had tensile strength ratio(TSR)value of 104%,satisfying the minimum 80%requirement of AASHTO *** also retained more than 96%bitumen *** moisture damage resistance was improved by 12%and 10%in terms of TSR and stripping,*** durability results revealed that the CMA-CR mixture prevented higher mass loss,representing 14%improvement compared with conventional CMA.

关键词： Cup lump rubber Cup lump modified cold mix asphalt Moisture damage Tensile property Rutting Digital imaging

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Polyphenol components in black chokeberry(Aronia melanocarpa)as clinically proven diseases control factors——an overview

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Food Science and Human Wellness 2024年第3期13卷 1152-1167页

作者： Ningxuan Gao Chi Shu Yuehua Wang Jinlong Tian Yuxi Lang Chenyu Jin Xingyue Cui Hanqian Jiang Shi’an Liu Zhiying Li Wei Chen Hao Xu Bin Li department of Food Science College of FoodShenyang Agricultural UniversityShenyang 110161China department of Food Science and Nutrition College of Biosystems Engineering and Food ScienceZhejiang UniversityHangzhou 310058China Chaoyang Beihe Food Co. Ltd.Chaoyang 122100China

The black chokeberry is rich in polyphenols,including flavonoids with anthocyanins,flavanols and lavonols as the main components and a variety of phenolic acids represented by chlorogenic *** of these polyphenols,black chokeberry has the effect of preventing and adjuvant therapy *** study summarized the current research results on the types and contents of functional components in black chokeberry,and analyzed their digestion,absorption and metabolism in human *** this basis,the disease control functions that have been proved effective in clinical research were reviewed and *** studies showed that black chokeberry have good prevention and adjuvant therapy effects on hyperlipidemia,hypertension,diabetes and *** there are different functional components in black chokeberry,its prevention and treatment of the same disease can come from multiple pathways,which provides a more reliable effectiveness for the disease control of different populations.

关键词： Black chokeberry Hyperlipidemia Hypertension Diabetes Inflammation

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Effect of Water Application Rate on Growth Parameters of Farro 44 Rice Grown in a Selected Irrigation Scheme in Niger State, Nigeria

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agricultural Sciences 2024年第5期15卷 533-547页

作者： Ebierni Akpoebidimiyen Otuaro John Jiya Musa Abayomi Ibrahim Kuti Peter Obasa Sunday Enebojojo Daniel department of Civil engineering Faculty of Engineering Maritime University Okerenkoko Nigeria department of agricultural and Bioresources engineering Federal University of Technology Minna Nigeria department of agricultural and Bio-Environmental engineering Technology Kogi State Polytechnic Lokoja Nigeria

Water and land are the necessary agricultural inputs, and both are scarce these days. This study aims to determine the effect of water application rate on selected planting and crop parameters of Farro 44 rice during dry season farming and its growth response. The randomised complete block design was employed for the Farro 44 rice variety, with each plot size 4 m2 (2 m × 2 m) for ease of monitoring. A 0.3 m bound space separated each plot. The crop spacing was 0.2 m × 0.3 m, 0.3 m × 0.3 m, and 0.3 m × 0.4 m, respectively, for the row-to-row and plant-to-plant distance. The data collected were statistically analysed. The height of the faro 44 variety of rice ranged between 35.50 cm to 44.00 cm for plots with 2 tillers per hill, while that of 4 and 6 tillers per hill ranged between 35.50 cm to 41.40 cm and 35.50 cm to 39.30 cm, respectively. Minimum damage of 2.32% was seen for plant hills of 2 tillers, while 9.21% and 11.89% were observed for tillers of 4 and 6, respectively. It was seen that plots with the highest spacing of 30 × 40 cm and tillers of 2 per hill were observed to perform better than those of the other plots within the experimental pots. Such plots had a maximum plant tiller of 37 when counted, with the height of the plants reaching 44 cm after 70 days of planting. In conclusion, farmers within the study area of the Kanko community in Niger State. Nigeria appears not to have any known knowledge of the soil they are cultivating and the water they use as a source of irrigation within the farming areas. It was further concluded that the rice crops would be produced maximally with minimal water application to the rice field.

关键词： Farro 44 Water Rice Irrigation Days

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