Globally,hyperuricemia is a growing health,social,and economic problem which could cause gout,chronic kidney diseases and other diseases.There are increasing evidences that a sensible diet makes sense to reduce the ri...Globally,hyperuricemia is a growing health,social,and economic problem which could cause gout,chronic kidney diseases and other diseases.There are increasing evidences that a sensible diet makes sense to reduce the risk of hyperuricemia.This review aims to explore the metabolic mechanism of dietary factors and effects of dietary types associated with hyperuricemia.Recommendations for dietary modification to prevent hyperuricemia are as following:decreasing intake of animal organs,seafood,sugar-sweetened,and alcohol beverages is essential;choosing water or unsweetened tea and coffee instead of sweetened beverages is beneficial;and increasing intake of vegetables,reduced-fat dairy products,foods containing fiber,micronutrients and unsaturated fatty acids is helpful.In addition,consumption of fruits and legumes in moderation is advantageous,and low-fructose of fruits and low-purine of non-soy beans are recommended.Moreover,personalized diet needs to be emphasized for hyperuricemic patients accompanied with diverse metabolic diseases.展开更多
Obesity has become a significant global public health issue.Previous studies have found that the Chenpi has the anti-obesity activity.However,the anti-obesity phytochemicals and their mechanisms are still unclear.This...Obesity has become a significant global public health issue.Previous studies have found that the Chenpi has the anti-obesity activity.However,the anti-obesity phytochemicals and their mechanisms are still unclear.This study investigated the anti-obesity phytochemicals and molecular mechanisms involved in treating obesity by Chenpi through network pharmacology and molecular docking.A total of 17 bioactive phytochemicals from Chenpi and its 475 related anti-obesity targets have been identified.The KEGG pathway analysis showed that the PI3K/Akt signaling pathway,MAPK signaling pathway,AMPK signaling pathway,and nuclear factor kappa B signaling pathway are the main signaling pathways involved in the anti-obesity effect of Chenpi.According to molecular docking analysis,the phytochemicals of Chenpi can bind to central anti-obesity targets.Based on the ADMET analysis and network pharmacology results,tangeretin exhibited the lowest predicted toxicity and potential for anti-obesity effects.In the in vitro lipid accumulation model,tangeretin effectively suppressed the free fatty acid-induced lipid in Hep G2 cells by upregulating the PI3K/Akt/GSK3βsignaling pathway based on the result of q-PCR and Western blotting.The outcomes of this research give insights for future research on the anti-obesity phytochemicals and molecular mechanisms derived from Chenpi,also providing the theoretical basis for developing anti-obesity functional foods based on Chenpi.展开更多
Ganoderma lingzhi is a new species of the prize medicinal mushroom Ganoderma(Agaricomycetes).Using angiotensin I-converting enzyme(ACE)as a target,a tripeptide Ser-Tyr-Pro(SYP)was discovered with preponderant ACE inhi...Ganoderma lingzhi is a new species of the prize medicinal mushroom Ganoderma(Agaricomycetes).Using angiotensin I-converting enzyme(ACE)as a target,a tripeptide Ser-Tyr-Pro(SYP)was discovered with preponderant ACE inhibitory activity with an 50%inhibiting concentration(IC_(50))value of 62.50μg/mL attribute to the formed salt bridge and hydrogen bonds between SYP and ACE.SYP even maintained superior bioactivity after intestinal digestion,and exerted no cytotoxicity,but presented incomplete bioavailability in blood of spontaneous hypertensive rats(SHRs).Furthermore,it performed antihypertensive effect in vivo by inhibiting the influx of Ca^(2+)through activating endothelial NO synthase(e NOS)/NO/guanosine 3',5'-cyclic monophosphate(c GMP)pathway,accompanied by attenuating angiotensin II(Ang II)/NADPH oxidase(NOX)/reactive oxygen species(ROS)pathway.This work not only discoverers a novel pharmacological ingredient from medicinal mushroom G.lingzhi for hypertension therapy,but also provides an insight into molecular mechanism of the ACE inhibitory peptide(ACEIP)on lowering blood pressure.展开更多
Inflammatory bowel disease(IBD)is a chronic gastrointestinal disease with a high incidence.Treatment for IBD includes medications and diet,and common anti-inflammatory medications have limitations like drug resistance...Inflammatory bowel disease(IBD)is a chronic gastrointestinal disease with a high incidence.Treatment for IBD includes medications and diet,and common anti-inflammatory medications have limitations like drug resistance and serious adverse effects.Accumulating evidence has demonstrated that dietary flavonoids exhibit an alleviative effect on IBD by influencing gut microbiota.The microbiota-derived metabolites also regulate IBD and maintain intestinal homeostasis.In this review,we investigate the therapeutic effect of gut microbiota and metabolites on IBD by intestinal immune and intestinal barrier function.We demonstrate the underlying mechanism of dietary flavonoids as an anti-inflammatory molecule alleviating IBD by regulating gut microbiota,short chain fatty acid(SCFA),bile acid(BA),tryptophan(Trp)metabolism and lipopolysaccharides(LPS)-toll-like receptor 4(TLR4)signaling pathway.Based on structural differences of flavonoids,we summarize the recent research progress on the role of different dietary flavonoids in alleviating IBD by gut microbiota and metabolites in animal and clinical trials.This review indicates that dietary flavonoids targeting gut microbiota and metabolites provide a promising strategy for the treatment of inflammation and novel insights into the management of IBD.展开更多
Hydraulic fracture(HF)formed in rock significantly helps with the development of geo-energy and georesources.The HF formation condition was challenging to understand,with obscure rock micro-cracking mechanisms being a...Hydraulic fracture(HF)formed in rock significantly helps with the development of geo-energy and georesources.The HF formation condition was challenging to understand,with obscure rock micro-cracking mechanisms being a key factor.The rock micro-cracking mechanism under gradient pore water pressure was analyzed on the scale of mineral particles and it was combined with macroscopic boundary conditions of rock hydraulic fracturing,obtaining the propagation criterion of HF in rock based on the rock micro-cracking mechanism which was verified by experiment.The results show that the disturbed skeleton stress induced by the disturbance of gradient pore water pressure in rock equals the pore water pressure difference.The overall range of the defined mechanical shape factor a/b is around 1,but greater than0.5.Under the combined influence of pore water pressure differences and macroscopic boundary stresses on the rock micro-cracking,micro-cracks form among rock mineral particles,micro-cracks connect to form micro-hydraulic fracture surfaces,and micro-hydraulic fracture surfaces open to form macrohydraulic fractures.HF begins to form at the micro-cracking initiation pressure(MCIP),which was tested by keeping the HF tip near the initiation point.The theoretical value of MCIP calculated by the proposed propagation criterion is close to MCIP tested.展开更多
Lead-halide perovskite nanoparticles(LHP NPs) are highly promising materials for next-generation displays and solid-state lighting due to their exceptional optical properties. However, their inherent instability prese...Lead-halide perovskite nanoparticles(LHP NPs) are highly promising materials for next-generation displays and solid-state lighting due to their exceptional optical properties. However, their inherent instability presents a significant challenge. Recent advances have demonstrated that optoelectronic devices based on monolayer nanoparticle films exhibit both high luminescence efficiency and long-term stability.Our research demonstrates that mobility limitations and anisotropic alignments in CsPbBr3nanocube monolayer films are key to their stabilization, hindering spontaneous growth through face-to-face fusion and resulting in the formation of connecting necks in a diagonal direction. Introducing laser irradiation confirmed this by significantly accelerating nanocubes growth, increasing mobility, and enhancing local structural ordering, leading to larger and more regularly shaped nanosheets. Fourier transform infrared spectroscopy and energy dispersive spectroscopy line-scan analyses indicated that laser irradiation did not disrupt the ligand structure. Transmission electron microscopy and correlative cathodoluminescence electron microscopy revealed the effects of post-growth and heterogeneous structures, including enhanced luminescence and inhomogeneous intensity in the nanosheets. These findings deepen the understanding of the post-growth mechanism of monolayer nanoparticles and the structure-emission correlation and highlight the unique role of laser irradiation in directing the formation of well-defined and regular nanostructures.展开更多
Lonicera japonica(honeysuckle)is a traditional Chinese medicinal food,in which the main active ingredients are phenolic acids,polysaccharides,flavonoids,and volatile oils.They have various biological activities,includ...Lonicera japonica(honeysuckle)is a traditional Chinese medicinal food,in which the main active ingredients are phenolic acids,polysaccharides,flavonoids,and volatile oils.They have various biological activities,including antiviral,antibacterial,antioxidant,hypoglycemic and lipid-lowering,and anti-inflammatory effects.This review summarizes the health effects and pharmacodynamic mechanisms of L.japonica extracts and the major active ingredients in these extracts,and the structures,metabolic process in vivo,and biotransformation processes of these compounds.In addition,the current status of the development of L.japonica-related functional foods is summarized.The aim is to provide a theoretical basis and reference for the further development and use of the active ingredients in L.japonica as functional foods for disease prevention and treatment.展开更多
With resource exploitation and engineering construction gradually going deeper,the surrounding rock dynamic disaster becomes frequent and violent.The anchorage support is a common control method of surrounding rock in...With resource exploitation and engineering construction gradually going deeper,the surrounding rock dynamic disaster becomes frequent and violent.The anchorage support is a common control method of surrounding rock in underground engineering.To study the dynamic damage characteristics of anchored rock and the energy absorption control mechanism of dynamic disasters,a new type of constant resistance and energy absorption(CREA)material with high strength,high elongation and high energy absorption characteristics is developed.A contrast test of rockbursts in anchored rock with different support materials is conducted.The test results show that the surface damage rates and energy release degree of anchored rock with common bolt(CB)and CREA are lower than those of unanchored rock,respectively.The total energy,average energy and maximum energy released by CREA anchored rock are 30.9%,94.3%and 84.4%lower than those of CB anchored rock.Compared with unanchored rock,the rockburst peak stress in the CREA anchored rock is increased by 39.9%,and the rockburst time is delayed by 53.2%.Based on the rockburst energy calculation model,the evolution law of rockburst peak stress and energy release is investigated.The control mechanism of CREA support units on rock dynamic failure is clarified.展开更多
Uranium–molybdenum(U–Mo) alloys are critical for nuclear power generation and propulsion because of their superior thermal conductivity, irradiation stability, and anti-swelling properties. This study explores the p...Uranium–molybdenum(U–Mo) alloys are critical for nuclear power generation and propulsion because of their superior thermal conductivity, irradiation stability, and anti-swelling properties. This study explores the plastic deformation mechanisms of γ-phase U–Mo alloys using molecular dynamics(MD) simulations. In the slip model, the generalized stacking fault energy(GSFE) and the modified Peierls–Nabarro(P–N) model are used to determine the competitive relationships among different slip systems. In the twinning model, the generalized plane fault energy(GPFE) is assessed to evaluate the competition between slip and twinning. The findings reveal that among the three slip systems, the {110}<111>slip system is preferentially activated, while in the {112}<111> system, twinning is favored over slip, as confirmed by MD tensile simulations conducted in various directions. Additionally, the impact of Mo content on deformation behavior is emphasized. Insights are provided for optimizing process conditions to avoid γ → α′′ transitions, thereby maintaining a higher proportion of γ-phase U–Mo alloys for practical applications.展开更多
Biomass conversion offers an efficient approach to alleviate the energy and environmental issues.Electrochemical oxidation of 5-hydroxymethylfurfural(HMF)has attracted tremendous attention in the latest few years for ...Biomass conversion offers an efficient approach to alleviate the energy and environmental issues.Electrochemical oxidation of 5-hydroxymethylfurfural(HMF)has attracted tremendous attention in the latest few years for the mild synthesis conditions and high conversion efficiency to obtain 2,5-furan dicarboxylic acid(FDCA),but there still remain problems such as limited yield,short cycle life,and ambiguous reaction mechanism.Despite many reviews highlighting a variety of electrocatalysts for electrochemical oxidation of HMF,a detailed discussion of the structural modulation of catalyst and the underlying catalytic mechanism is still lacking.We herein provide a comprehensive summary of the recent development of electrochemical oxidation of HMF to FDCA,particularly focusing on the mechanism studies as well as the advanced strategies developed to regulate the structure and optimize the performance of the electrocatalysts,including heterointerface construction,defect engineering,single-atom engineering,and in situ reconstruction.Experimental characterization techniques and theoretical calculation methods for mechanism and active site studies are elaborated,and challenges and future directions of electrochemical oxidation of HMF are also prospected.This review will provide guidance for designing advanced catalysts and deepening the understanding of the reaction mechanism beneath electrochemical oxidation of HMF to FDCA.展开更多
In this paper,a novel robust fault-tolerant control scheme based on event-triggered communication mechanism for a variable-speed wind energy conversion system(WECS)with sensor and actuator failures is proposed.The non...In this paper,a novel robust fault-tolerant control scheme based on event-triggered communication mechanism for a variable-speed wind energy conversion system(WECS)with sensor and actuator failures is proposed.The nonlinear WECS with event-triggered mechanism is modeled based on the Takagi-Sugeno(T-S)fuzzy model.By Lyapunov stability theory,the parameter expression of the proposed robust fault-tolerant controller with event-triggered mechanisms is proposed based on a feasible solution of linear matrix inequalities.Compared with the existing WECS fault-tolerant control methods,the proposed scheme significantly reduces the pressure of network packet transmission and improves the robustness and reliability of the WECS.Considering a doubly-fed variable speed constant frequency wind turbine,the eventtriggered mechanism based fault-tolerant control for WECS is analyzed considering system model uncertainty.Numerical simulation results demonstrate that the proposed scheme is feasible and effective.展开更多
In LEO(Low Earth Orbit)satellite communication systems,the satellite network is made up of a large number of satellites,the dynamically changing network environment affects the results of distributed computing.In orde...In LEO(Low Earth Orbit)satellite communication systems,the satellite network is made up of a large number of satellites,the dynamically changing network environment affects the results of distributed computing.In order to improve the fault tolerance rate,a novel public blockchain consensus mechanism that applies a distributed computing architecture in a public network is proposed.Redundant calculation of blockchain ensures the credibility of the results;and the transactions with calculation results of a task are stored distributed in sequence in Directed Acyclic Graphs(DAG).The transactions issued by nodes are connected to form a net.The net can quickly provide node reputation evaluation that does not rely on third parties.Simulations show that our proposed blockchain has the following advantages:1.The task processing speed of the blockchain can be close to that of the fastest node in the entire blockchain;2.When the tasks’arrival time intervals and demanded working nodes(WNs)meet certain conditions,the network can tolerate more than 50%of malicious devices;3.No matter the number of nodes in the blockchain is increased or reduced,the network can keep robustness by adjusting the task’s arrival time interval and demanded WNs.展开更多
The far-field microdynamic disturbance caused by the excavation of deep mineral resources and underground engineering can induce surrounding rock damage in high-stress conditions and even lead to disasters.However,the...The far-field microdynamic disturbance caused by the excavation of deep mineral resources and underground engineering can induce surrounding rock damage in high-stress conditions and even lead to disasters.However,the mechanical properties and damage/fracture evolution mechanisms of deep rock induced by microdynamic disturbance under three-dimensional stress states are unclear.Therefore,a true triaxial multilevel disturbance test method is proposed,which can completely simulate natural geostress,excavation stress redistribution(such as stress unloading,concentration and rotation),and subsequently the microdynamic disturbance triggering damaged rock failure.Based on a dynamic true triaxial test platform,true triaxial microdynamic disturbance tests under different frequency and amplitudes were carried out on monzogabbro.The results show that increasing amplitude or decreasing frequency diminishes the failure strength of monzogabbro.Deformation modulus gradually decreases during disturbance failure.As frequency and amplitude increase,the degradation rate of deformation modulus decreases slightly,disturbance dissipated energy increases significantly,and disturbance deformation anisotropy strengthens obviously.A damage model has been proposed to quantitatively characterize the disturbance-induced damage evolution at different frequency and amplitude under true triaxial stress.Before disturbance failure,the micro-tensile crack mechanism is dominant,and the micro-shear crack mechanism increases significantly at failure.With the increase of amplitude and frequency,the micro-shear crack mechanism increases.When approaching disturbance failure,the acoustic emission fractal dimension changes from a stable value to local large oscillation,and finally increases sharply to a high value at failure.Finally,the disturbance-induced failure mechanism of surrounding rock in deep engineering is clearly elucidated.展开更多
Heart injury such as myocardial infarction leads to cardiomyocyte loss,fibrotic tissue deposition,and scar formation.These changes reduce cardiac contractility,resulting in heart failure,which causes a huge public hea...Heart injury such as myocardial infarction leads to cardiomyocyte loss,fibrotic tissue deposition,and scar formation.These changes reduce cardiac contractility,resulting in heart failure,which causes a huge public health burden.Military personnel,compared with civilians,is exposed to more stress,a risk factor for heart diseases,making cardiovascular health management and treatment innovation an important topic for military medicine.So far,medical intervention can slow down cardiovascular disease progression,but not yet induce heart regeneration.In the past decades,studies have focused on mechanisms underlying the regenerative capability of the heart and applicable approaches to reverse heart injury.Insights have emerged from studies in animal models and early clinical trials.Clinical interventions show the potential to reduce scar formation and enhance cardiomyocyte proliferation that counteracts the pathogenesis of heart disease.In this review,we discuss the signaling events controlling the regeneration of heart tissue and summarize current therapeutic approaches to promote heart regeneration after injury.展开更多
Transition metal chalcogenides(TMCs)are recognized as pre-catalysts,and their(oxy)hydroxides derived from electrochemical reconstruction are the active species in the water oxidation.However,understanding the role of ...Transition metal chalcogenides(TMCs)are recognized as pre-catalysts,and their(oxy)hydroxides derived from electrochemical reconstruction are the active species in the water oxidation.However,understanding the role of the residual chalcogen in the reconstructed layer is lacking in detail,and the corresponding catalytic mechanism remains controversial.Here,taking Cu_(1-x)Co_(x)S as a platform,we explore the regulating effect and existence form of the residual S doped into the reconstructive layer for oxygen evolution reaction(OER),where a dual-path OER mechanism is proposed.First-principles calculations and operando~(18)O isotopic labeling experiments jointly reveal that the residual S in the reconstructive layer of Cu_(1-x)Co_(x)S can wisely balance the adsorbate evolution mechanism(AEM)and lattice oxygen oxidation mechanism(LOM)by activating lattice oxygen and optimizing the adsorption/desorption behaviors at metal active sites,rather than change the reaction mechanism from AEM to LOM.Following such a dual-path OER mechanism,Cu_(0.4)Co_(0.6)S-derived Cu_(0.4)Co_(0.6)OSH not only overcomes the restriction of linear scaling relationship in AEM,but also avoids the structural collapse caused by lattice oxygen migration in LOM,so as to greatly reduce the OER potential and improved stability.展开更多
For the deep understanding on combustion of ammonia/diesel,this study develops a reduced mechanism of ammonia/diesel with 227 species and 937 reactions.The sub-mechanism on ammonia/interactions of N-based and C-based ...For the deep understanding on combustion of ammonia/diesel,this study develops a reduced mechanism of ammonia/diesel with 227 species and 937 reactions.The sub-mechanism on ammonia/interactions of N-based and C-based species(N—C)/NOx is optimized using the Non-dominated Sorting Genetic Algorithm II(NSGA-II)with 200 generations.The optimized mechanism(named as 937b)is validated against combustion characteristics of ammonia/methane(which is used to examine the accuracy of N—C interactions)and ammonia/diesel blends.The ignition delay times(IDTs),the laminar flame speeds and most of key intermediate species during the combustion of ammonia/methane blends can be accurately simulated by 937b under a wide range of conditions.As for ammonia/diesel blends with various diesel energy fractions,reasonable predictions on the IDTs under pressures from 1.0 MPa to5.0 MPa as well as the laminar flame speeds are also achieved by 937b.In particular,with regard to the IDT simulations of ammonia/diesel blends,937b makes progress in both aspects of overall accuracy and computational efficiency,compared to a detailed ammonia/diesel mechanism.Further kinetic analysis reveals that the reaction pathway of ammonia during the combustion of ammonia/diesel blend mainly differs in the tendencies of oxygen additions to NH_2 and NH with different equivalence ratios.展开更多
Ferroptosis is a novel form of cell death driven by iron-dependent lipid peroxidation and it is implicated in various diseases,such as liver disease,acute kidney injury,cardiovascular disease,neurodegenerative disease...Ferroptosis is a novel form of cell death driven by iron-dependent lipid peroxidation and it is implicated in various diseases,such as liver disease,acute kidney injury,cardiovascular disease,neurodegenerative disease and cancer.Lipid-based reactive oxygen species(ROS),particularly lipid hydroperoxides in the cellular membrane can lead to membrane disruption and cell death mediated by ferroptosis.There are three necessary stages involving in the process of lipid peroxidation regulation in ferroptosis,including the synthesis of membrane phospholipids,initiation of lipid peroxidation and clearance of lipid peroxides.In this review,we summarized the molecular modulation mechanisms of lipid peroxidation in ferroptosis from the above three stages,as well as various ferroptosis modulators targeting lipid peroxidation,including commonly used products,natural bioactive compounds and selenocompounds.Collectively,these findings suggest the vital role of lipid peroxidation in ferroptosis,and targeting lipid peroxidation in ferroptosis is potential to treat ferroptosis-associated diseases.展开更多
Since the discovery of enzyme-like activity of Fe3O4 nanoparticles in 2007,nanozymes are becoming the promising substitutes for natural enzymes due to their advantages of high catalytic activity,low cost,mild reaction...Since the discovery of enzyme-like activity of Fe3O4 nanoparticles in 2007,nanozymes are becoming the promising substitutes for natural enzymes due to their advantages of high catalytic activity,low cost,mild reaction conditions,good stability,and suitable for large-scale production.Recently,with the cross fusion of nanomedicine and nanocatalysis,nanozyme-based theranostic strategies attract great attention,since the enzymatic reactions can be triggered in the tumor microenvironment to achieve good curative effect with substrate specificity and low side effects.Thus,various nanozymes have been developed and used for tumor therapy.In this review,more than 270 research articles are discussed systematically to present progress in the past five years.First,the discovery and development of nanozymes are summarized.Second,classification and catalytic mechanism of nanozymes are discussed.Third,activity prediction and rational design of nanozymes are focused by highlighting the methods of density functional theory,machine learning,biomimetic and chemical design.Then,synergistic theranostic strategy of nanozymes are introduced.Finally,current challenges and future prospects of nanozymes used for tumor theranostic are outlined,including selectivity,biosafety,repeatability and stability,in-depth catalytic mechanism,predicting and evaluating activities.展开更多
This study aimed to characterize and identify calcium-chelating peptides from rabbit bone collagen and explore the underlying chelating mechanism.Collagen peptides and calcium were extracted from rabbit bone by instan...This study aimed to characterize and identify calcium-chelating peptides from rabbit bone collagen and explore the underlying chelating mechanism.Collagen peptides and calcium were extracted from rabbit bone by instant ejection steam explosion(ICSE)combined with enzymatic hydrolysis,followed by chelation reaction to prepare rabbit bone peptide-calcium chelate(RBCP-Ca).The chelating sites were further analyzed by liquid chromatography-tandem mass(LC-MS/MS)spectrometry while the chelating mechanism and binding modes were investigated.The structural characterization revealed that RBCP successfully chelated with calcium ions.Furthermore,LC-MS/MS analysis indicated that the binding sites included both acidic amino acids(Asp and Glu)and basic amino acids(Lys and Arg),Interestingly,three binding modes,namely Inter-Linking,Loop-Linking and Mono-Linking were for the first time found,while Inter-Linking mode accounted for the highest proportion(75.1%),suggesting that chelation of calcium ions frequently occurred between two peptides.Overall,this study provides a theoretical basis for the elucidation of chelation mechanism of calcium-chelating peptides.展开更多
To overcome the limitations of traditional experimental“trial and error”methods in lubricant additive design,a new molecular design method based on molecular structure parameters is established here.The molecular me...To overcome the limitations of traditional experimental“trial and error”methods in lubricant additive design,a new molecular design method based on molecular structure parameters is established here.The molecular mechanism of the antioxidant reaction of hindered phenol,diphenylamine,and alkyl sulfide are studied via molecular simulations.Calculation results show that the strong electron-donating ability and high hydrogen-donating activity of the antioxidant molecule and the low hydrogen-abstracting activity of free radicals formed after dehydrogenation are the internal molecular causes of the shielding of phenol and diphenylamine from scavenging peroxy free radicals,and the strong electron-donating ability is the internal molecular cause of the high activity of thioether in decomposing alkyl hydrogen peroxide.Based on this antioxidant molecular mechanism,a molecular design rule of antioxidant is proposed,namely“high EHOMO,large Q(S),low bond dissociation energy BDE(O—H)and BDE(N—H)”.Two new antioxidants,PAS-I and PAS-II,are designed and prepared by chemical bonding of hindered phenol,diphenylamine,and sulfur atoms.Experimental results show that these antioxidants both have excellent antioxidant effects in lubricating oil,and that PAS-II is the superior antioxidant,consistent with theoretical predictions.展开更多
基金supported by the National Natural Science Foundation of China(No.32122069)Beijing Outstanding Young Scientist Program(No.BJJWZYJH01201910011025)China Postdoctoral Science Foundation(No.2023M730134)。
文摘Globally,hyperuricemia is a growing health,social,and economic problem which could cause gout,chronic kidney diseases and other diseases.There are increasing evidences that a sensible diet makes sense to reduce the risk of hyperuricemia.This review aims to explore the metabolic mechanism of dietary factors and effects of dietary types associated with hyperuricemia.Recommendations for dietary modification to prevent hyperuricemia are as following:decreasing intake of animal organs,seafood,sugar-sweetened,and alcohol beverages is essential;choosing water or unsweetened tea and coffee instead of sweetened beverages is beneficial;and increasing intake of vegetables,reduced-fat dairy products,foods containing fiber,micronutrients and unsaturated fatty acids is helpful.In addition,consumption of fruits and legumes in moderation is advantageous,and low-fructose of fruits and low-purine of non-soy beans are recommended.Moreover,personalized diet needs to be emphasized for hyperuricemic patients accompanied with diverse metabolic diseases.
基金supported by the Guangdong Provincial Key Laboratory IRADS(2022B1212010006,R0400001-22)。
文摘Obesity has become a significant global public health issue.Previous studies have found that the Chenpi has the anti-obesity activity.However,the anti-obesity phytochemicals and their mechanisms are still unclear.This study investigated the anti-obesity phytochemicals and molecular mechanisms involved in treating obesity by Chenpi through network pharmacology and molecular docking.A total of 17 bioactive phytochemicals from Chenpi and its 475 related anti-obesity targets have been identified.The KEGG pathway analysis showed that the PI3K/Akt signaling pathway,MAPK signaling pathway,AMPK signaling pathway,and nuclear factor kappa B signaling pathway are the main signaling pathways involved in the anti-obesity effect of Chenpi.According to molecular docking analysis,the phytochemicals of Chenpi can bind to central anti-obesity targets.Based on the ADMET analysis and network pharmacology results,tangeretin exhibited the lowest predicted toxicity and potential for anti-obesity effects.In the in vitro lipid accumulation model,tangeretin effectively suppressed the free fatty acid-induced lipid in Hep G2 cells by upregulating the PI3K/Akt/GSK3βsignaling pathway based on the result of q-PCR and Western blotting.The outcomes of this research give insights for future research on the anti-obesity phytochemicals and molecular mechanisms derived from Chenpi,also providing the theoretical basis for developing anti-obesity functional foods based on Chenpi.
基金supported by the National Natural Science Foundation of China(32071673 and 32202573)the Program of Hunan Science and Technology Innovation Team(2021RC4063)+1 种基金the Natural Science Foundation of Hunan Province(2021JJ31151 and 2022JJ50028)the Key Scientific Research Project of Hunan Education Department(22A0538)。
文摘Ganoderma lingzhi is a new species of the prize medicinal mushroom Ganoderma(Agaricomycetes).Using angiotensin I-converting enzyme(ACE)as a target,a tripeptide Ser-Tyr-Pro(SYP)was discovered with preponderant ACE inhibitory activity with an 50%inhibiting concentration(IC_(50))value of 62.50μg/mL attribute to the formed salt bridge and hydrogen bonds between SYP and ACE.SYP even maintained superior bioactivity after intestinal digestion,and exerted no cytotoxicity,but presented incomplete bioavailability in blood of spontaneous hypertensive rats(SHRs).Furthermore,it performed antihypertensive effect in vivo by inhibiting the influx of Ca^(2+)through activating endothelial NO synthase(e NOS)/NO/guanosine 3',5'-cyclic monophosphate(c GMP)pathway,accompanied by attenuating angiotensin II(Ang II)/NADPH oxidase(NOX)/reactive oxygen species(ROS)pathway.This work not only discoverers a novel pharmacological ingredient from medicinal mushroom G.lingzhi for hypertension therapy,but also provides an insight into molecular mechanism of the ACE inhibitory peptide(ACEIP)on lowering blood pressure.
基金supported by grants from the National Natural Science Foundation of China(31560459)Jiangxi Provincial Natural Science Foundation(20224ACB205014)The Double Thousands Talents Plan of Jiangxi(jxsq2018102075,jxsq2018102076)。
文摘Inflammatory bowel disease(IBD)is a chronic gastrointestinal disease with a high incidence.Treatment for IBD includes medications and diet,and common anti-inflammatory medications have limitations like drug resistance and serious adverse effects.Accumulating evidence has demonstrated that dietary flavonoids exhibit an alleviative effect on IBD by influencing gut microbiota.The microbiota-derived metabolites also regulate IBD and maintain intestinal homeostasis.In this review,we investigate the therapeutic effect of gut microbiota and metabolites on IBD by intestinal immune and intestinal barrier function.We demonstrate the underlying mechanism of dietary flavonoids as an anti-inflammatory molecule alleviating IBD by regulating gut microbiota,short chain fatty acid(SCFA),bile acid(BA),tryptophan(Trp)metabolism and lipopolysaccharides(LPS)-toll-like receptor 4(TLR4)signaling pathway.Based on structural differences of flavonoids,we summarize the recent research progress on the role of different dietary flavonoids in alleviating IBD by gut microbiota and metabolites in animal and clinical trials.This review indicates that dietary flavonoids targeting gut microbiota and metabolites provide a promising strategy for the treatment of inflammation and novel insights into the management of IBD.
基金supported by the National Key Research and Development Program of China (No.2021YFC2902102)the National Natural Science Foundation of China (Nos.52374103 and 52274013)。
文摘Hydraulic fracture(HF)formed in rock significantly helps with the development of geo-energy and georesources.The HF formation condition was challenging to understand,with obscure rock micro-cracking mechanisms being a key factor.The rock micro-cracking mechanism under gradient pore water pressure was analyzed on the scale of mineral particles and it was combined with macroscopic boundary conditions of rock hydraulic fracturing,obtaining the propagation criterion of HF in rock based on the rock micro-cracking mechanism which was verified by experiment.The results show that the disturbed skeleton stress induced by the disturbance of gradient pore water pressure in rock equals the pore water pressure difference.The overall range of the defined mechanical shape factor a/b is around 1,but greater than0.5.Under the combined influence of pore water pressure differences and macroscopic boundary stresses on the rock micro-cracking,micro-cracks form among rock mineral particles,micro-cracks connect to form micro-hydraulic fracture surfaces,and micro-hydraulic fracture surfaces open to form macrohydraulic fractures.HF begins to form at the micro-cracking initiation pressure(MCIP),which was tested by keeping the HF tip near the initiation point.The theoretical value of MCIP calculated by the proposed propagation criterion is close to MCIP tested.
基金National Key Research and Development Program of China(2023YFA1507602)National Natural Science Foundation of China (22171010, 62174011)。
文摘Lead-halide perovskite nanoparticles(LHP NPs) are highly promising materials for next-generation displays and solid-state lighting due to their exceptional optical properties. However, their inherent instability presents a significant challenge. Recent advances have demonstrated that optoelectronic devices based on monolayer nanoparticle films exhibit both high luminescence efficiency and long-term stability.Our research demonstrates that mobility limitations and anisotropic alignments in CsPbBr3nanocube monolayer films are key to their stabilization, hindering spontaneous growth through face-to-face fusion and resulting in the formation of connecting necks in a diagonal direction. Introducing laser irradiation confirmed this by significantly accelerating nanocubes growth, increasing mobility, and enhancing local structural ordering, leading to larger and more regularly shaped nanosheets. Fourier transform infrared spectroscopy and energy dispersive spectroscopy line-scan analyses indicated that laser irradiation did not disrupt the ligand structure. Transmission electron microscopy and correlative cathodoluminescence electron microscopy revealed the effects of post-growth and heterogeneous structures, including enhanced luminescence and inhomogeneous intensity in the nanosheets. These findings deepen the understanding of the post-growth mechanism of monolayer nanoparticles and the structure-emission correlation and highlight the unique role of laser irradiation in directing the formation of well-defined and regular nanostructures.
基金supports from the National Natural Science Foundation of China(82130112,U24A20789)Beijing Hospitals Authority Ascent Plan(DFL20190702)Youth Beijing Scholar(2022-051)。
文摘Lonicera japonica(honeysuckle)is a traditional Chinese medicinal food,in which the main active ingredients are phenolic acids,polysaccharides,flavonoids,and volatile oils.They have various biological activities,including antiviral,antibacterial,antioxidant,hypoglycemic and lipid-lowering,and anti-inflammatory effects.This review summarizes the health effects and pharmacodynamic mechanisms of L.japonica extracts and the major active ingredients in these extracts,and the structures,metabolic process in vivo,and biotransformation processes of these compounds.In addition,the current status of the development of L.japonica-related functional foods is summarized.The aim is to provide a theoretical basis and reference for the further development and use of the active ingredients in L.japonica as functional foods for disease prevention and treatment.
基金supported by the National Key Research and Development Program of China(No.2023YFC2907600)the National Natural Science Foundation of China(Nos.42477166 and 42277174)+2 种基金the Fundamental Research Funds for the Central Universities,China(No.2024JCCXSB01)the Opening Project of State Key Laboratory of Explosion Science and Safety Protection,Beijing Institute of Technology(No.KFJJ24-01M)the Open Foundation of Collaborative Innovation Center of Green Development and Ecological Restoration of Mineral Resources(No.HLCX2024-04)。
文摘With resource exploitation and engineering construction gradually going deeper,the surrounding rock dynamic disaster becomes frequent and violent.The anchorage support is a common control method of surrounding rock in underground engineering.To study the dynamic damage characteristics of anchored rock and the energy absorption control mechanism of dynamic disasters,a new type of constant resistance and energy absorption(CREA)material with high strength,high elongation and high energy absorption characteristics is developed.A contrast test of rockbursts in anchored rock with different support materials is conducted.The test results show that the surface damage rates and energy release degree of anchored rock with common bolt(CB)and CREA are lower than those of unanchored rock,respectively.The total energy,average energy and maximum energy released by CREA anchored rock are 30.9%,94.3%and 84.4%lower than those of CB anchored rock.Compared with unanchored rock,the rockburst peak stress in the CREA anchored rock is increased by 39.9%,and the rockburst time is delayed by 53.2%.Based on the rockburst energy calculation model,the evolution law of rockburst peak stress and energy release is investigated.The control mechanism of CREA support units on rock dynamic failure is clarified.
基金Project supported by the National Natural Science Foundation of China (Grant No. 52271105)。
文摘Uranium–molybdenum(U–Mo) alloys are critical for nuclear power generation and propulsion because of their superior thermal conductivity, irradiation stability, and anti-swelling properties. This study explores the plastic deformation mechanisms of γ-phase U–Mo alloys using molecular dynamics(MD) simulations. In the slip model, the generalized stacking fault energy(GSFE) and the modified Peierls–Nabarro(P–N) model are used to determine the competitive relationships among different slip systems. In the twinning model, the generalized plane fault energy(GPFE) is assessed to evaluate the competition between slip and twinning. The findings reveal that among the three slip systems, the {110}<111>slip system is preferentially activated, while in the {112}<111> system, twinning is favored over slip, as confirmed by MD tensile simulations conducted in various directions. Additionally, the impact of Mo content on deformation behavior is emphasized. Insights are provided for optimizing process conditions to avoid γ → α′′ transitions, thereby maintaining a higher proportion of γ-phase U–Mo alloys for practical applications.
基金National Natural Science Foundation of China(22272150,22302177)Major Program of Zhejiang Provincial Natural Science Foundation of China(LD22B030002)+2 种基金Zhejiang Provincial Ten Thousand Talent Program(2021R51009)Public Technology Application Project of Jinhua City(2022-4-067)Self Designed Scientific Research of Zhejiang Normal University(2021ZS0604)。
文摘Biomass conversion offers an efficient approach to alleviate the energy and environmental issues.Electrochemical oxidation of 5-hydroxymethylfurfural(HMF)has attracted tremendous attention in the latest few years for the mild synthesis conditions and high conversion efficiency to obtain 2,5-furan dicarboxylic acid(FDCA),but there still remain problems such as limited yield,short cycle life,and ambiguous reaction mechanism.Despite many reviews highlighting a variety of electrocatalysts for electrochemical oxidation of HMF,a detailed discussion of the structural modulation of catalyst and the underlying catalytic mechanism is still lacking.We herein provide a comprehensive summary of the recent development of electrochemical oxidation of HMF to FDCA,particularly focusing on the mechanism studies as well as the advanced strategies developed to regulate the structure and optimize the performance of the electrocatalysts,including heterointerface construction,defect engineering,single-atom engineering,and in situ reconstruction.Experimental characterization techniques and theoretical calculation methods for mechanism and active site studies are elaborated,and challenges and future directions of electrochemical oxidation of HMF are also prospected.This review will provide guidance for designing advanced catalysts and deepening the understanding of the reaction mechanism beneath electrochemical oxidation of HMF to FDCA.
基金supported by Ministry of Science and Technology of Peoples Republic of China(No.2019YFE0104800).
文摘In this paper,a novel robust fault-tolerant control scheme based on event-triggered communication mechanism for a variable-speed wind energy conversion system(WECS)with sensor and actuator failures is proposed.The nonlinear WECS with event-triggered mechanism is modeled based on the Takagi-Sugeno(T-S)fuzzy model.By Lyapunov stability theory,the parameter expression of the proposed robust fault-tolerant controller with event-triggered mechanisms is proposed based on a feasible solution of linear matrix inequalities.Compared with the existing WECS fault-tolerant control methods,the proposed scheme significantly reduces the pressure of network packet transmission and improves the robustness and reliability of the WECS.Considering a doubly-fed variable speed constant frequency wind turbine,the eventtriggered mechanism based fault-tolerant control for WECS is analyzed considering system model uncertainty.Numerical simulation results demonstrate that the proposed scheme is feasible and effective.
基金funded in part by the National Natural Science Foundation of China (Grant no. 61772352, 62172061, 61871422)National Key Research and Development Project (Grants nos. 2020YFB1711800 and 2020YFB1707900)+2 种基金the Science and Technology Project of Sichuan Province (Grants no. 2021YFG0152, 2021YFG0025, 2020YFG0479, 2020YFG0322, 2020GFW035, 2020GFW033, 2020YFH0071)the R&D Project of Chengdu City (Grant no. 2019-YF05-01790-GX)the Central Universities of Southwest Minzu University (Grants no. ZYN2022032)
文摘In LEO(Low Earth Orbit)satellite communication systems,the satellite network is made up of a large number of satellites,the dynamically changing network environment affects the results of distributed computing.In order to improve the fault tolerance rate,a novel public blockchain consensus mechanism that applies a distributed computing architecture in a public network is proposed.Redundant calculation of blockchain ensures the credibility of the results;and the transactions with calculation results of a task are stored distributed in sequence in Directed Acyclic Graphs(DAG).The transactions issued by nodes are connected to form a net.The net can quickly provide node reputation evaluation that does not rely on third parties.Simulations show that our proposed blockchain has the following advantages:1.The task processing speed of the blockchain can be close to that of the fastest node in the entire blockchain;2.When the tasks’arrival time intervals and demanded working nodes(WNs)meet certain conditions,the network can tolerate more than 50%of malicious devices;3.No matter the number of nodes in the blockchain is increased or reduced,the network can keep robustness by adjusting the task’s arrival time interval and demanded WNs.
基金the financial support from the National Natural Science Foundation of China(No.52109119)the Guangxi Natural Science Foundation(No.2021GXNSFBA075030)+2 种基金the Guangxi Science and Technology Project(No.Guike AD20325002)the Chinese Postdoctoral Science Fund Project(No.2022M723408)the Open Research Fund of State Key Laboratory of Simulation and Regulation of Water Cycle in River Basin(China Institute of Water Resources and Hydropower Research)(No.IWHR-SKL-202202)。
文摘The far-field microdynamic disturbance caused by the excavation of deep mineral resources and underground engineering can induce surrounding rock damage in high-stress conditions and even lead to disasters.However,the mechanical properties and damage/fracture evolution mechanisms of deep rock induced by microdynamic disturbance under three-dimensional stress states are unclear.Therefore,a true triaxial multilevel disturbance test method is proposed,which can completely simulate natural geostress,excavation stress redistribution(such as stress unloading,concentration and rotation),and subsequently the microdynamic disturbance triggering damaged rock failure.Based on a dynamic true triaxial test platform,true triaxial microdynamic disturbance tests under different frequency and amplitudes were carried out on monzogabbro.The results show that increasing amplitude or decreasing frequency diminishes the failure strength of monzogabbro.Deformation modulus gradually decreases during disturbance failure.As frequency and amplitude increase,the degradation rate of deformation modulus decreases slightly,disturbance dissipated energy increases significantly,and disturbance deformation anisotropy strengthens obviously.A damage model has been proposed to quantitatively characterize the disturbance-induced damage evolution at different frequency and amplitude under true triaxial stress.Before disturbance failure,the micro-tensile crack mechanism is dominant,and the micro-shear crack mechanism increases significantly at failure.With the increase of amplitude and frequency,the micro-shear crack mechanism increases.When approaching disturbance failure,the acoustic emission fractal dimension changes from a stable value to local large oscillation,and finally increases sharply to a high value at failure.Finally,the disturbance-induced failure mechanism of surrounding rock in deep engineering is clearly elucidated.
基金supported by the Natural Science Foundation of Beijing,China(7214223,7212027)the Beijing Hospitals Authority Youth Programme(QML20210601)+3 种基金the Chinese Scholarship Council(CSC)scholarship(201706210415)the National Key Research and Development Program of China(2017YFC0908800)the Beijing Municipal Health Commission(PXM2020_026272_000002,PXM2020_026272_000014)the National Natural Science Foundation of China(82070293).
文摘Heart injury such as myocardial infarction leads to cardiomyocyte loss,fibrotic tissue deposition,and scar formation.These changes reduce cardiac contractility,resulting in heart failure,which causes a huge public health burden.Military personnel,compared with civilians,is exposed to more stress,a risk factor for heart diseases,making cardiovascular health management and treatment innovation an important topic for military medicine.So far,medical intervention can slow down cardiovascular disease progression,but not yet induce heart regeneration.In the past decades,studies have focused on mechanisms underlying the regenerative capability of the heart and applicable approaches to reverse heart injury.Insights have emerged from studies in animal models and early clinical trials.Clinical interventions show the potential to reduce scar formation and enhance cardiomyocyte proliferation that counteracts the pathogenesis of heart disease.In this review,we discuss the signaling events controlling the regeneration of heart tissue and summarize current therapeutic approaches to promote heart regeneration after injury.
基金supported by the Science and Technology Research Program of Chongqing Municipal Education Commission(KJQN202200550)the Natural Science Foundation Joint Fund for Innovation and Development of Chongqing Municipal Education Commission(CSTB2022NSCQ-LZX0077)+4 种基金the National Natural Science Foundation of China(No.52100065)the Science and Technology Research Program of Natural Science Foundation of Chongqing(cstc2021ycjh-bgzxm0037)the Science and Technology Research Program of Chongqing Municipal Education Commission(KJZD-M202200503)the Chongqing Innovation Research Group Project(No.CXQT21015)the Doctor Start/Talent Introduction Program of Chongqing Normal University(No.02060404/2020009000321)。
文摘Transition metal chalcogenides(TMCs)are recognized as pre-catalysts,and their(oxy)hydroxides derived from electrochemical reconstruction are the active species in the water oxidation.However,understanding the role of the residual chalcogen in the reconstructed layer is lacking in detail,and the corresponding catalytic mechanism remains controversial.Here,taking Cu_(1-x)Co_(x)S as a platform,we explore the regulating effect and existence form of the residual S doped into the reconstructive layer for oxygen evolution reaction(OER),where a dual-path OER mechanism is proposed.First-principles calculations and operando~(18)O isotopic labeling experiments jointly reveal that the residual S in the reconstructive layer of Cu_(1-x)Co_(x)S can wisely balance the adsorbate evolution mechanism(AEM)and lattice oxygen oxidation mechanism(LOM)by activating lattice oxygen and optimizing the adsorption/desorption behaviors at metal active sites,rather than change the reaction mechanism from AEM to LOM.Following such a dual-path OER mechanism,Cu_(0.4)Co_(0.6)S-derived Cu_(0.4)Co_(0.6)OSH not only overcomes the restriction of linear scaling relationship in AEM,but also avoids the structural collapse caused by lattice oxygen migration in LOM,so as to greatly reduce the OER potential and improved stability.
基金the National Natural Science Foundation of China(project code:52202470)Jilin Province Natural Science Foundation(project codes:20220101205JC,20220101212JC)+2 种基金Jilin Province Specific Project of Industrial Technology Research&Development(project code:2020C025-2)2021 Interdisciplinary Integration and Innovation Project of Jilin University(project code:XJRCYB07)Free Exploration Project of Changsha Automotive Innovation Research Institute of Jilin University(project code:CAIRIZT20220202)。
文摘For the deep understanding on combustion of ammonia/diesel,this study develops a reduced mechanism of ammonia/diesel with 227 species and 937 reactions.The sub-mechanism on ammonia/interactions of N-based and C-based species(N—C)/NOx is optimized using the Non-dominated Sorting Genetic Algorithm II(NSGA-II)with 200 generations.The optimized mechanism(named as 937b)is validated against combustion characteristics of ammonia/methane(which is used to examine the accuracy of N—C interactions)and ammonia/diesel blends.The ignition delay times(IDTs),the laminar flame speeds and most of key intermediate species during the combustion of ammonia/methane blends can be accurately simulated by 937b under a wide range of conditions.As for ammonia/diesel blends with various diesel energy fractions,reasonable predictions on the IDTs under pressures from 1.0 MPa to5.0 MPa as well as the laminar flame speeds are also achieved by 937b.In particular,with regard to the IDT simulations of ammonia/diesel blends,937b makes progress in both aspects of overall accuracy and computational efficiency,compared to a detailed ammonia/diesel mechanism.Further kinetic analysis reveals that the reaction pathway of ammonia during the combustion of ammonia/diesel blend mainly differs in the tendencies of oxygen additions to NH_2 and NH with different equivalence ratios.
基金supported by Jiangxi Provincial Natural Science Foundation(20224BAB216091,20224ACB205014)Jiangxi Provincial Department of Education Science and Technology Plan Project(GJJ2200420).
文摘Ferroptosis is a novel form of cell death driven by iron-dependent lipid peroxidation and it is implicated in various diseases,such as liver disease,acute kidney injury,cardiovascular disease,neurodegenerative disease and cancer.Lipid-based reactive oxygen species(ROS),particularly lipid hydroperoxides in the cellular membrane can lead to membrane disruption and cell death mediated by ferroptosis.There are three necessary stages involving in the process of lipid peroxidation regulation in ferroptosis,including the synthesis of membrane phospholipids,initiation of lipid peroxidation and clearance of lipid peroxides.In this review,we summarized the molecular modulation mechanisms of lipid peroxidation in ferroptosis from the above three stages,as well as various ferroptosis modulators targeting lipid peroxidation,including commonly used products,natural bioactive compounds and selenocompounds.Collectively,these findings suggest the vital role of lipid peroxidation in ferroptosis,and targeting lipid peroxidation in ferroptosis is potential to treat ferroptosis-associated diseases.
基金S.G.acknowledges the financial support from the National Natural Science Foundation of China(NSFC 52272144,51972076)the Heilongjiang Provincial Natural Science Foundation of China(JQ2022E001)+4 种基金the Natural Science Foundation of Shandong Province(ZR2020ZD42)the Fundamental Research Funds for the Central Universities.H.D.acknowledges the financial support from the National Natural Science Foundation of China(NSFC 22205048)China Postdoctoral Science Foundation(2022M710931 and 2023T160154)Heilongjiang Postdoctoral Science Foundation(LBH-Z22010)G.Y.acknowledges the financial support from the National Science Foundation of Heilongjiang Education Department(324022075).
文摘Since the discovery of enzyme-like activity of Fe3O4 nanoparticles in 2007,nanozymes are becoming the promising substitutes for natural enzymes due to their advantages of high catalytic activity,low cost,mild reaction conditions,good stability,and suitable for large-scale production.Recently,with the cross fusion of nanomedicine and nanocatalysis,nanozyme-based theranostic strategies attract great attention,since the enzymatic reactions can be triggered in the tumor microenvironment to achieve good curative effect with substrate specificity and low side effects.Thus,various nanozymes have been developed and used for tumor therapy.In this review,more than 270 research articles are discussed systematically to present progress in the past five years.First,the discovery and development of nanozymes are summarized.Second,classification and catalytic mechanism of nanozymes are discussed.Third,activity prediction and rational design of nanozymes are focused by highlighting the methods of density functional theory,machine learning,biomimetic and chemical design.Then,synergistic theranostic strategy of nanozymes are introduced.Finally,current challenges and future prospects of nanozymes used for tumor theranostic are outlined,including selectivity,biosafety,repeatability and stability,in-depth catalytic mechanism,predicting and evaluating activities.
基金granted by the National Key R&D Program of China (2021YFD21001005)National Natural Science Foundation of China (31972102,32101980)+1 种基金Special key project of Chongqing technology innovation and application development (cstc2021jscx-cylhX0014)Chongqing Technology Innovation and Application Development Special Project (cstc2021jscx-tpyzxX0014)。
文摘This study aimed to characterize and identify calcium-chelating peptides from rabbit bone collagen and explore the underlying chelating mechanism.Collagen peptides and calcium were extracted from rabbit bone by instant ejection steam explosion(ICSE)combined with enzymatic hydrolysis,followed by chelation reaction to prepare rabbit bone peptide-calcium chelate(RBCP-Ca).The chelating sites were further analyzed by liquid chromatography-tandem mass(LC-MS/MS)spectrometry while the chelating mechanism and binding modes were investigated.The structural characterization revealed that RBCP successfully chelated with calcium ions.Furthermore,LC-MS/MS analysis indicated that the binding sites included both acidic amino acids(Asp and Glu)and basic amino acids(Lys and Arg),Interestingly,three binding modes,namely Inter-Linking,Loop-Linking and Mono-Linking were for the first time found,while Inter-Linking mode accounted for the highest proportion(75.1%),suggesting that chelation of calcium ions frequently occurred between two peptides.Overall,this study provides a theoretical basis for the elucidation of chelation mechanism of calcium-chelating peptides.
文摘To overcome the limitations of traditional experimental“trial and error”methods in lubricant additive design,a new molecular design method based on molecular structure parameters is established here.The molecular mechanism of the antioxidant reaction of hindered phenol,diphenylamine,and alkyl sulfide are studied via molecular simulations.Calculation results show that the strong electron-donating ability and high hydrogen-donating activity of the antioxidant molecule and the low hydrogen-abstracting activity of free radicals formed after dehydrogenation are the internal molecular causes of the shielding of phenol and diphenylamine from scavenging peroxy free radicals,and the strong electron-donating ability is the internal molecular cause of the high activity of thioether in decomposing alkyl hydrogen peroxide.Based on this antioxidant molecular mechanism,a molecular design rule of antioxidant is proposed,namely“high EHOMO,large Q(S),low bond dissociation energy BDE(O—H)and BDE(N—H)”.Two new antioxidants,PAS-I and PAS-II,are designed and prepared by chemical bonding of hindered phenol,diphenylamine,and sulfur atoms.Experimental results show that these antioxidants both have excellent antioxidant effects in lubricating oil,and that PAS-II is the superior antioxidant,consistent with theoretical predictions.
