The angiotensin-converting enzyme(ACE)inhibitory peptide NCW derived from Mizuhopecten yessoensis has been demonstrated to have significant in vivo anti-hypertensive effects,however,its anti-hypertensive mechanism is ...The angiotensin-converting enzyme(ACE)inhibitory peptide NCW derived from Mizuhopecten yessoensis has been demonstrated to have significant in vivo anti-hypertensive effects,however,its anti-hypertensive mechanism is still not fully clarified.This study established a UPLC-Q-TRAP-MS/MS-based widely targeted kidney metabolomics approach to explore the changes of kidney metabolic profiles and to clarify the antihypertensive mechanism of peptide NCW in spontaneously hypertensive rats(SHRs).Multivariate statistical analysis indicated that the kidney metabolic profiles were clearly separated between the SHR-NCW and SHRUntreated groups.A total of 85 metabolites were differentially regulated,and 16 metabolites were identified as potential kidney biomarkers,e.g.,3-hydroxybutyrate,malonic acid,deoxycytidine,and L-aspartic acid.The peptide NCW might regulate kidney metabolic disorder of SHRs to alleviate hypertension by suppressing inflammation and improving nitric oxide production under the regulation of linoleic acid metabolism,folate related pathways,synthesis and degradation of ketone bodies,pyrimidine metabolism,β-alanine metabolism,and retinal metabolism.展开更多
Oncorhynchus mykiss is delicious and contains abundant flavor substances.However,few studies focused on umami peptides of O.mykiss.In the current work,umami peptides derived from O.mykiss were identified using virtual...Oncorhynchus mykiss is delicious and contains abundant flavor substances.However,few studies focused on umami peptides of O.mykiss.In the current work,umami peptides derived from O.mykiss were identified using virtual screening,molecular docking,and electronic tongue analysis.First,the O.mykiss protein was hydrolyzed using the PeptideCutter online enzymolysis program.Subsequently,water-soluble and toxicity screening were performed by Innovagen and ToxinPred software,respectively.The potential peptides were docked with umami receptor T1R1/T1R3.Furthermore,taste properties of potential peptides were validated by electronic tongue.Docking results suggested that the three tetrapeptide EANK,EEAK,and EMQK could enter the binding pocket in the T1R1 cavity,wherein Arg151,Asp147,Gln52,and Arg277 may play key roles in the production of umami taste.Electronic tongue results showed that the umami value of EANK,EEAK,and EMQK were stronger than monosodium glutamate.This work provides a new insight for the screening of umami peptides in O.mykiss.展开更多
The datasets of two Ocean Model Intercomparison Project(OMIP)simulation experiments from the LASG/IAP Climate Ocean Model,version 3(LICOM3),forced by two different sets of atmospheric surface data,are described in thi...The datasets of two Ocean Model Intercomparison Project(OMIP)simulation experiments from the LASG/IAP Climate Ocean Model,version 3(LICOM3),forced by two different sets of atmospheric surface data,are described in this paper.The experiment forced by CORE-II(Co-ordinated Ocean–Ice Reference Experiments,Phase II)data(1948–2009)is called OMIP1,and that forced by JRA55-do(surface dataset for driving ocean–sea-ice models based on Japanese 55-year atmospheric reanalysis)data(1958–2018)is called OMIP2.First,the improvement of LICOM from CMIP5 to CMIP6 and the configurations of the two experiments are described.Second,the basic performances of the two experiments are validated using the climatological-mean and interannual time scales from observation.We find that the mean states,interannual variabilities,and long-term linear trends can be reproduced well by the two experiments.The differences between the two datasets are also discussed.Finally,the usage of these data is described.These datasets are helpful toward understanding the origin system bias of the fully coupled model.展开更多
This study aimed to identify novel ACEI peptides from Larimichthys crocea titin using in silico approaches and to clarify the molecular interaction mechanism.The hydrolyzed peptides of titin were compared with known A...This study aimed to identify novel ACEI peptides from Larimichthys crocea titin using in silico approaches and to clarify the molecular interaction mechanism.The hydrolyzed peptides of titin were compared with known ACEI peptides in the AHTPDB and BIOPEP-UWM database.Furthermore,peptides were evaluated for their solubility,ADMET properties,ΔG(kcal/mol)values,and in vitro ACEI activity.Molecular mechanism of ACE-peptide was performed by molecular interactions and binding orientation study.The results revealed that IC50 values of Trp-Ala-Arg(WAR)and Trp-Gln-Arg(WQR)were(31.2±0.8)and(231.33±0.02)mol/L,respectively.The docking interactions result suggested that ACE-WAR and ACEWQR complexes have same binding site,including the residues LYS511,TYR520,TYR523,HIS353,and HIS513.Molecular docking of two tripeptides WAR and WQR with ACE studies predicted their binding site and clarified the interaction between ACE and its inhibitors.The molecular docking data are consistent with the ACE inhibitory activity of the studied peptides.The results showed that Larimichthys crocea titin may be a valuable source for developing nutraceutical food.展开更多
The purpose of this study was to screen the xanthine oxidase(XO)inhibitory peptides from egg white proteins through virtual hydrolysis,in vitro activity validation,and molecular docking.The results demonstrated that t...The purpose of this study was to screen the xanthine oxidase(XO)inhibitory peptides from egg white proteins through virtual hydrolysis,in vitro activity validation,and molecular docking.The results demonstrated that tripeptide EEK from ovalbumin exhibited potent XO inhibitory activity with an IC50 value of 141μmol/L.The molecular docking results showed that tripeptide EEK bound with the active center of XO via 3 carbon hydrogen bond interactions,2 salt bridges,5 conventional hydrogen bond interactions,and 4 attractive charge interactions.The residues Glu802,Phe1009,and Arg880 may play key roles in the XO catalytic reaction.Especially,the key intermolecular forces of inhibiting XO activity may be special type of hydrogen bonds including carbon hydrogen bond interactions and attraction charge interactions.The novel tripeptide EEK is potential candidates for controlling hyperuricemia.展开更多
Inhibition of beta-site APP cleaving enzyme1(BACE1)is one of the most promising therapeutic approaches for Alzheimer’s disease.To find natural products for the treatment of Alzheimer’s disease,absorption,distributio...Inhibition of beta-site APP cleaving enzyme1(BACE1)is one of the most promising therapeutic approaches for Alzheimer’s disease.To find natural products for the treatment of Alzheimer’s disease,absorption,distribution,metabolism,excretion and toxicity(ADMET)properties and in vitro BACE1 inhibitory activity of the peptides isolated from egg albumin were evaluated.Then,molecular docking and molecular dynamics simulation were used to explain the molecular mechanism of the interactions between BACE1 and peptides.The IC50 value of peptide KLPGF,with satisfactory ADMET properties,against BACE1 was(8.30±0.56)mmol/L.Molecular docking revealed that KLPGF contacted with the residues of BACE1’s active sites through twelve hydrogen bonds interactions,two hydrophobic interactions,one electrostatic interaction,and two Pi-cation interactions.The 5 ns molecular dynamics simulations confirmed that the structure of KLPGF with BACE1 was stable.Peptide KLPGF contacted the residues Lys321,Asp228,and Asn233 with stable hydrogen bonds.KLPGF may be a potential anti-BACE1 candidate.展开更多
The egg white-derived hexapeptide TNGIIR inhibits angiotensin-converting enzyme(ACE)activity in vitro.In this work,molecular docking revealed that TNGIIR established hydrogen bonds with the S1(Ala 354),S2(Gln 281,His ...The egg white-derived hexapeptide TNGIIR inhibits angiotensin-converting enzyme(ACE)activity in vitro.In this work,molecular docking revealed that TNGIIR established hydrogen bonds with the S1(Ala 354),S2(Gln 281,His 513,Tyr 520 and Lys 511)and S1(Glu 162)pockets of ACE.In addition,the potential antihypertensive effect of the oral administration of TNGIIR in spontaneously hypertensive rats(SHR)was investigated,as was the effect of this peptide on the mRNA expression of ACE and angiotensin type 1(AT1)and type 2(AT2)receptors in renal tissue.The oral administration of TNGIIR(2,10 and 50 mg/kg)for up to four weeks did not reduce the blood pressure of SHR,in contrast to captopril(10 mg/kg,orally),but attenuated the mRNA expression of ACE and AT1 receptor(as did captopril).In contrast,both TNGIIR and captopril enhanced the expression of AT2 receptor mRNA.There was no change in the circulating concentration of angiotensin I,but a slight decrease(about 10%)was seen in the concentration of circulating angiotensin II with TNGIIR and captopril.展开更多
The small organic molecule electro-oxidation(OMEO) and the hydrogen evolution(HER) are two important half-reactions in direct liquid fuel cells(DLFCs) and water electrolyzers,respectively,whose performance is largely ...The small organic molecule electro-oxidation(OMEO) and the hydrogen evolution(HER) are two important half-reactions in direct liquid fuel cells(DLFCs) and water electrolyzers,respectively,whose performance is largely hindered by the low activity and poor stability of electrocatalysts.Herein,we demonstrate that a simple phosphorization treatment of commercially available palladium-nickel(PdNi) catalysts results in multifunctional ternary palladium nickel phosphide(PdNiP) catalysts,which exhibit substantially enhanced electrocatalytic activity and stability for HER and OMEO of a number of molecules including formic acid,methanol,ethanol,and ethylene glycol,in acidic and/or alkaline media.The improved performance results from the modification of electronic structure of palladium and nickel by the introduced phosphorus and the enhanced corrosion resistance of PdNiP.The simple phosphorization approach reported here allows for mass production of highly-active OMEO and HER electrocatalysts,holding substantial promise for their large-scale application in direct liquid fuel cells and water electrolyzers.展开更多
Water splitting has been proposed to be a promising approach to producing clean hydrogen fuel.The two half-reactions of water splitting,that is,the hydrogen evolution reaction(HER)and oxygen evolution reaction(OER),ta...Water splitting has been proposed to be a promising approach to producing clean hydrogen fuel.The two half-reactions of water splitting,that is,the hydrogen evolution reaction(HER)and oxygen evolution reaction(OER),take place kinetically fast in solutions with completely different pH values.Enabling HER and OER to simultaneously occur under kinetically favorable conditions while using exclusively low-cost,earth-abundant electrocatalysts is highly desirable but remains a challenge.Herein,we demonstrate that using a bipolar membrane(BPM)we can accomplish HER in a strongly acidic solution and OER in a strongly basic solution,with bifunctional self-supported cobaltnickel phosphide nanowire electrodes to catalyze both reactions.Such asymmetric acid/alkaline water electrolysis can be achieved at 1.567 V to deliver a current density of 10 mA/cm2 with ca.100%Faradaic efficiency.Moreover,using an“irregular”BPM with unintentional crossover the voltage needed to afford 10 mA/cm2 can be reduced to 0.847 V,due to the assistance of electrochemical neutralization between acid and alkaline.Furthermore,we show that BPM-based asymmetric water electrolysis can be accomplished in a circulated single-cell electrolyzer delivering 10 mA/cm2 at 1.550 V and splitting water very stably for at least 25 hours,and that water electrolysis is enabled by a solar panel operating at 0.908 V(@13 mA/cm2),using an“irregular”BPM.BPMbased asymmetric water electrolysis is a promising alternative to conventional proton and anion exchange membrane water electrolysis.展开更多
Three-dimensional holey nitrogen-doped carbon matrixes decorated with molybdenum dioxide(MoO_(2))nanoparticles have been successfully synthesized via a NaCl-assisted template strategy.The obtained MoO_(2)/C composites...Three-dimensional holey nitrogen-doped carbon matrixes decorated with molybdenum dioxide(MoO_(2))nanoparticles have been successfully synthesized via a NaCl-assisted template strategy.The obtained MoO_(2)/C composites offered multi-advantages,including higher specific surface area,more active sites,more ions/electrons transmission channels,and shorter transmission path due to the synergistic effect of the uniformly distributed MoO_(2) nanoparticles and porous carbon structure.Especially,the oxygen vacancies were introduced into the prepared composites and enhanced the Li^(+)intercalation/deintercalation process during electrochemical cycling by the Coulomb force.The existence of the local built-in electric field was proved by experimental data,differential charge density distribution,and density of states calculation.The uniquely designed structure and introduced oxygen vacancy defects endowed the MoO_(2)/C composites with excellent electrochemical properties.In view of the synergistic effect of the uniquely designed morphology and introduced oxygen vacancy defects,the MoO_(2)/C composites exhibited superior electrochemical performance of a high capacity of 918.2 mAh g^(-1) at 0.1 A g^(-1) after 130 cycles,562.1 mAh g^(-1) at 1.0 A g^(-1) after 1000 cycles,and a capacity of 181.25 mAh g^(-1) even at 20.0 A g^(-1).This strategy highlights the path to promote the commercial application of MoO_(2)-based and other transition metal oxide electrodes for energy storage devices.展开更多
Information retrieval from visually random optical speckle patterns is desired in many scenarios yet considered challenging.It requires accurate understanding or mapping of the multiple scattering process,or reliable ...Information retrieval from visually random optical speckle patterns is desired in many scenarios yet considered challenging.It requires accurate understanding or mapping of the multiple scattering process,or reliable capability to reverse or compensate for the scattering-induced phase distortions.In whatever situation,effective resolving and digitization of speckle patterns are necessary.Nevertheless,on some occasions,to increase the acquisition speed and/or signal-to-noise ratio(SNR),speckles captured by cameras are inevitably sampled in the sub-Nyquist domain via pixel binning(one camera pixel contains multiple speckle grains)due to finite size or limited bandwidth of photosensors.Such a down-sampling process is irreversible;it undermines the fine structures of speckle grains and hence the encoded information,preventing successful information extraction.To retrace the lost information,super-resolution interpolation for such sub-Nyquist sampled speckles is needed.In this work,a deep neural network,namely SpkSRNet,is proposed to effectively up sample speckles that are sampled below 1/10 of the Nyquist criterion to well-resolved ones that not only resemble the comprehensive morphology of original speckles(decompose multiple speckle grains from one camera pixel)but also recover the lost complex information(human face in this study)with high fidelity under normal-and low-light conditions,which is impossible with classic interpolation methods.These successful speckle super-resolution interpolation demonstrations are essentially enabled by the strong implicit correlation among speckle grains,which is non-quantifiable but could be discovered by the well-trained network.With further engineering,the proposed learning platform may benefit many scenarios that are physically inaccessible,enabling fast acquisition of speckles with sufficient SNR and opening up new avenues for seeing big and seeing clearly simultaneously in complex scenarios.展开更多
Multiple scattering can significantly scramble the amplitude and phase profile of an optical field.It obscures subtle observations but only speckle patterns can be seen,unlike the ballistic regime where the informatio...Multiple scattering can significantly scramble the amplitude and phase profile of an optical field.It obscures subtle observations but only speckle patterns can be seen,unlike the ballistic regime where the information or the optical field can be identified with limited distortions.Efficient optical manipulation including information transmission and precise focusing is therefore obstructed as light travels deep into turbidmedia such as fog,turbid fluids,and biological tissues.展开更多
Optical imaging through or inside scattering media, such as multimode fiber and biological tissues, has a significant impact in biomedicine yet is considered challenging due to the strong scattering nature of light. I...Optical imaging through or inside scattering media, such as multimode fiber and biological tissues, has a significant impact in biomedicine yet is considered challenging due to the strong scattering nature of light. In the past decade, promising progress has been made in the field, largely benefiting from the invention of iterative optical wavefront shaping, with which deep-tissue high-resolution optical focusing and hence imaging becomes possible. Most of the reported iterative algorithms can overcome small perturbations on the noise level but fail to effectively adapt beyond the noise level, e.g., sudden strong perturbations. Reoptimizations are usually needed for significant decorrelation to the medium since these algorithms heavily rely on the optimization performance in the previous iterations. Such ineffectiveness is probably due to the absence of a metric that can gauge the deviation of the instant wavefront from the optimum compensation based on the concurrently measured optical focusing.In this study, a square rule of binary-amplitude modulation, directly relating the measured focusing performance with the error in the optimized wavefront, is theoretically proved and experimentally validated. With this simple rule, it is feasible to quantify how many pixels on the spatial light modulator incorrectly modulate the wavefront for the instant status of the medium or the whole system. As an example of application, we propose a novel algorithm, the dynamic mutation algorithm, which has high adaptability against perturbations by probing how far the optimization has gone toward the theoretically optimal performance. The diminished focus of scattered light can be effectively recovered when perturbations to the medium cause a significant drop in the focusing performance, which no existing algorithms can achieve due to their inherent strong dependence on previous optimizations. With further improvement, the square rule and the new algorithm may boost or inspire many applications, such as high-resolution optical imaging and stimulation, in instable or dynamic scattering environments.展开更多
Edge enhancement is a fundamental and important topic in imaging and image processing,as perception of edge is one of the keys to identify and comprehend the contents of an image.Edge enhancement can be performed in m...Edge enhancement is a fundamental and important topic in imaging and image processing,as perception of edge is one of the keys to identify and comprehend the contents of an image.Edge enhancement can be performed in many ways,through hardware or computation.Existing methods,however,have been limited in free space or clear media for optical applications;in scattering media such as biological tissue,light is multiple scattered,and information is scrambled to a form of seemingly random speckles.Although desired,it is challenging to accom-plish edge enhancement in the presence of multiple scattering.In this work,we introduce an implementation of optical wavefront shaping to achieve efficient edge enhancement through scattering media by a two-step operation.The first step is to acquire a hologram after the scattering medium,where information of the edge region is accurately encoded,while that of the nonedge region is intentionally encoded with inadequate accuracy.The second step is to decode the edge information by time reversing the scattered light.The capability is demonstrated experimentally,and,further,the performance,as measured by the edge enhancement index(EI)and enhancement-to-noise ratio(ENR),can be controlled easily through tuning the beam ratio.EI and ENR can be reinforced by^8.5 and^263 folds,respectively.To the best of our knowledge,this is the first demonstration that edge information of a spatial pattern can be extracted through strong turbidity,which can potentially enrich the comprehension of actual images obtained from a complex environment.展开更多
Time-gated reflection matrix(RM)has been successfully used for optical imaging deep inside Scattering media.Recently,this method was extended to enhance the spatiotemporal focusing of light ultra-deep inside scatterin...Time-gated reflection matrix(RM)has been successfully used for optical imaging deep inside Scattering media.Recently,this method was extended to enhance the spatiotemporal focusing of light ultra-deep inside scattering media.This is achieved by calibrating the decomposition of the RM with the Tikhonov regularization parameter to convert mutiply scattered photons that share the same time of flight with the singly scattered photons into singly scattered photons.Such a capability suggests a reshaping to the interaction mechanism between light and scattering media,which may beneft or inspire wide optical applications that desire enhanced spatiotemporal focusing of light at depths inside scattering media.展开更多
Optical techniques offer a wide variety of applications as light-matter interactions provide extremely sensitive mechanisms to probe or treat target media.Most of these implementations rely on the usage of ballistic o...Optical techniques offer a wide variety of applications as light-matter interactions provide extremely sensitive mechanisms to probe or treat target media.Most of these implementations rely on the usage of ballistic or quasi-ballistic photons to achieve high spatial resolution.However,the inherent scattering nature of light in biological tissues or tissue-like scattering media constitutes a critical obstacle that has restricted the penetration depth of non-scattered photons and hence limited the implementation of most optical techniques for wider applications.In addition,the components of an optical system are usually designed and manufactured for a fixed function or performance.Recent advances in wavefront shaping have demonstrated that scattering-or component-induced phase distortions can be compensated by optimizing the wavefront of the input light pattern through iteration or by conjugating the transmission matrix of the scattering medium.展开更多
A highly efficient dearomatization of 3-(2-isocyanoethyl)indoles with in situ generated nitrile imines has been developed through a nucleophilic/Friedel–Crafts/aza-Mannich type cascade and 1,3-dipolar cyclo-addition ...A highly efficient dearomatization of 3-(2-isocyanoethyl)indoles with in situ generated nitrile imines has been developed through a nucleophilic/Friedel–Crafts/aza-Mannich type cascade and 1,3-dipolar cyclo-addition reaction under catalyst-free and mild reaction conditions.This strategy offers a novel and con-venient route to the rapid assembly of a wide range of unprecedented polycyclic indoline scaffolds in moderate to excellent yields and diastereoselectivities.展开更多
基金supported by the National Natural Science Foundation of China(No.31901635)。
文摘The angiotensin-converting enzyme(ACE)inhibitory peptide NCW derived from Mizuhopecten yessoensis has been demonstrated to have significant in vivo anti-hypertensive effects,however,its anti-hypertensive mechanism is still not fully clarified.This study established a UPLC-Q-TRAP-MS/MS-based widely targeted kidney metabolomics approach to explore the changes of kidney metabolic profiles and to clarify the antihypertensive mechanism of peptide NCW in spontaneously hypertensive rats(SHRs).Multivariate statistical analysis indicated that the kidney metabolic profiles were clearly separated between the SHR-NCW and SHRUntreated groups.A total of 85 metabolites were differentially regulated,and 16 metabolites were identified as potential kidney biomarkers,e.g.,3-hydroxybutyrate,malonic acid,deoxycytidine,and L-aspartic acid.The peptide NCW might regulate kidney metabolic disorder of SHRs to alleviate hypertension by suppressing inflammation and improving nitric oxide production under the regulation of linoleic acid metabolism,folate related pathways,synthesis and degradation of ketone bodies,pyrimidine metabolism,β-alanine metabolism,and retinal metabolism.
基金supported by The National Key R&D Program of China (2019YFD0901702)
文摘Oncorhynchus mykiss is delicious and contains abundant flavor substances.However,few studies focused on umami peptides of O.mykiss.In the current work,umami peptides derived from O.mykiss were identified using virtual screening,molecular docking,and electronic tongue analysis.First,the O.mykiss protein was hydrolyzed using the PeptideCutter online enzymolysis program.Subsequently,water-soluble and toxicity screening were performed by Innovagen and ToxinPred software,respectively.The potential peptides were docked with umami receptor T1R1/T1R3.Furthermore,taste properties of potential peptides were validated by electronic tongue.Docking results suggested that the three tetrapeptide EANK,EEAK,and EMQK could enter the binding pocket in the T1R1 cavity,wherein Arg151,Asp147,Gln52,and Arg277 may play key roles in the production of umami taste.Electronic tongue results showed that the umami value of EANK,EEAK,and EMQK were stronger than monosodium glutamate.This work provides a new insight for the screening of umami peptides in O.mykiss.
基金supported by the National Key R&D Program for Developing Basic Sciences (Grant Nos. 2016YFC1401401 and 2016YFC1401601)the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDC01000000)the National Natural Science Foundation of China (Grants Nos. 41576026, 41576025, 41776030, 41931183 and 41976026)
文摘The datasets of two Ocean Model Intercomparison Project(OMIP)simulation experiments from the LASG/IAP Climate Ocean Model,version 3(LICOM3),forced by two different sets of atmospheric surface data,are described in this paper.The experiment forced by CORE-II(Co-ordinated Ocean–Ice Reference Experiments,Phase II)data(1948–2009)is called OMIP1,and that forced by JRA55-do(surface dataset for driving ocean–sea-ice models based on Japanese 55-year atmospheric reanalysis)data(1958–2018)is called OMIP2.First,the improvement of LICOM from CMIP5 to CMIP6 and the configurations of the two experiments are described.Second,the basic performances of the two experiments are validated using the climatological-mean and interannual time scales from observation.We find that the mean states,interannual variabilities,and long-term linear trends can be reproduced well by the two experiments.The differences between the two datasets are also discussed.Finally,the usage of these data is described.These datasets are helpful toward understanding the origin system bias of the fully coupled model.
基金supported by The National Natural Science Funds of China(No.31901635).
文摘This study aimed to identify novel ACEI peptides from Larimichthys crocea titin using in silico approaches and to clarify the molecular interaction mechanism.The hydrolyzed peptides of titin were compared with known ACEI peptides in the AHTPDB and BIOPEP-UWM database.Furthermore,peptides were evaluated for their solubility,ADMET properties,ΔG(kcal/mol)values,and in vitro ACEI activity.Molecular mechanism of ACE-peptide was performed by molecular interactions and binding orientation study.The results revealed that IC50 values of Trp-Ala-Arg(WAR)and Trp-Gln-Arg(WQR)were(31.2±0.8)and(231.33±0.02)mol/L,respectively.The docking interactions result suggested that ACE-WAR and ACEWQR complexes have same binding site,including the residues LYS511,TYR520,TYR523,HIS353,and HIS513.Molecular docking of two tripeptides WAR and WQR with ACE studies predicted their binding site and clarified the interaction between ACE and its inhibitors.The molecular docking data are consistent with the ACE inhibitory activity of the studied peptides.The results showed that Larimichthys crocea titin may be a valuable source for developing nutraceutical food.
基金supported by Beijing Advanced Innovation Center for Food Nutrition and Human Health(20181036).
文摘The purpose of this study was to screen the xanthine oxidase(XO)inhibitory peptides from egg white proteins through virtual hydrolysis,in vitro activity validation,and molecular docking.The results demonstrated that tripeptide EEK from ovalbumin exhibited potent XO inhibitory activity with an IC50 value of 141μmol/L.The molecular docking results showed that tripeptide EEK bound with the active center of XO via 3 carbon hydrogen bond interactions,2 salt bridges,5 conventional hydrogen bond interactions,and 4 attractive charge interactions.The residues Glu802,Phe1009,and Arg880 may play key roles in the XO catalytic reaction.Especially,the key intermolecular forces of inhibiting XO activity may be special type of hydrogen bonds including carbon hydrogen bond interactions and attraction charge interactions.The novel tripeptide EEK is potential candidates for controlling hyperuricemia.
基金This work was supported by the National Natural Science Funds of China(No.31901635)the National Key Research and Development Program of China(2018YFD0400301).
文摘Inhibition of beta-site APP cleaving enzyme1(BACE1)is one of the most promising therapeutic approaches for Alzheimer’s disease.To find natural products for the treatment of Alzheimer’s disease,absorption,distribution,metabolism,excretion and toxicity(ADMET)properties and in vitro BACE1 inhibitory activity of the peptides isolated from egg albumin were evaluated.Then,molecular docking and molecular dynamics simulation were used to explain the molecular mechanism of the interactions between BACE1 and peptides.The IC50 value of peptide KLPGF,with satisfactory ADMET properties,against BACE1 was(8.30±0.56)mmol/L.Molecular docking revealed that KLPGF contacted with the residues of BACE1’s active sites through twelve hydrogen bonds interactions,two hydrophobic interactions,one electrostatic interaction,and two Pi-cation interactions.The 5 ns molecular dynamics simulations confirmed that the structure of KLPGF with BACE1 was stable.Peptide KLPGF contacted the residues Lys321,Asp228,and Asn233 with stable hydrogen bonds.KLPGF may be a potential anti-BACE1 candidate.
基金the National Natural Science Funds of China(No.31901635)Beijing Advanced Innovation Centre for Food Nutrition and Human Health(Grant No.20181036).
文摘The egg white-derived hexapeptide TNGIIR inhibits angiotensin-converting enzyme(ACE)activity in vitro.In this work,molecular docking revealed that TNGIIR established hydrogen bonds with the S1(Ala 354),S2(Gln 281,His 513,Tyr 520 and Lys 511)and S1(Glu 162)pockets of ACE.In addition,the potential antihypertensive effect of the oral administration of TNGIIR in spontaneously hypertensive rats(SHR)was investigated,as was the effect of this peptide on the mRNA expression of ACE and angiotensin type 1(AT1)and type 2(AT2)receptors in renal tissue.The oral administration of TNGIIR(2,10 and 50 mg/kg)for up to four weeks did not reduce the blood pressure of SHR,in contrast to captopril(10 mg/kg,orally),but attenuated the mRNA expression of ACE and AT1 receptor(as did captopril).In contrast,both TNGIIR and captopril enhanced the expression of AT2 receptor mRNA.There was no change in the circulating concentration of angiotensin I,but a slight decrease(about 10%)was seen in the concentration of circulating angiotensin II with TNGIIR and captopril.
基金financial support of China Scholarship Council,China(Grant No.201806150015)the financial support of the Portuguese Foundation of Science and Technology through TACIT project(Grant No.02/SAICT/2017/028837)the National Innovation Agency of Portugal through Baterias 2030 project(Grant No.POCI-01-0247FEDER-046109)to this work。
文摘The small organic molecule electro-oxidation(OMEO) and the hydrogen evolution(HER) are two important half-reactions in direct liquid fuel cells(DLFCs) and water electrolyzers,respectively,whose performance is largely hindered by the low activity and poor stability of electrocatalysts.Herein,we demonstrate that a simple phosphorization treatment of commercially available palladium-nickel(PdNi) catalysts results in multifunctional ternary palladium nickel phosphide(PdNiP) catalysts,which exhibit substantially enhanced electrocatalytic activity and stability for HER and OMEO of a number of molecules including formic acid,methanol,ethanol,and ethylene glycol,in acidic and/or alkaline media.The improved performance results from the modification of electronic structure of palladium and nickel by the introduced phosphorus and the enhanced corrosion resistance of PdNiP.The simple phosphorization approach reported here allows for mass production of highly-active OMEO and HER electrocatalysts,holding substantial promise for their large-scale application in direct liquid fuel cells and water electrolyzers.
基金This study was financially supported by the European Horizon 2020 project“CritCat”under the grant agreement number 686053Lifeng Liu acknowledges the financial support from the Portuguese Foundation of Science and Technology(FCT)under the projects“IF/2014/01595”and“IF/01595/2014/CP1247/CT0001.”+1 种基金Isilda Amorim is thankful for the support to FCT PhD grant SFRH/BD/137546/2018Zhipeng Yu acknowledges the support of the China Scholarship Council(Grant no.201806150015).
文摘Water splitting has been proposed to be a promising approach to producing clean hydrogen fuel.The two half-reactions of water splitting,that is,the hydrogen evolution reaction(HER)and oxygen evolution reaction(OER),take place kinetically fast in solutions with completely different pH values.Enabling HER and OER to simultaneously occur under kinetically favorable conditions while using exclusively low-cost,earth-abundant electrocatalysts is highly desirable but remains a challenge.Herein,we demonstrate that using a bipolar membrane(BPM)we can accomplish HER in a strongly acidic solution and OER in a strongly basic solution,with bifunctional self-supported cobaltnickel phosphide nanowire electrodes to catalyze both reactions.Such asymmetric acid/alkaline water electrolysis can be achieved at 1.567 V to deliver a current density of 10 mA/cm2 with ca.100%Faradaic efficiency.Moreover,using an“irregular”BPM with unintentional crossover the voltage needed to afford 10 mA/cm2 can be reduced to 0.847 V,due to the assistance of electrochemical neutralization between acid and alkaline.Furthermore,we show that BPM-based asymmetric water electrolysis can be accomplished in a circulated single-cell electrolyzer delivering 10 mA/cm2 at 1.550 V and splitting water very stably for at least 25 hours,and that water electrolysis is enabled by a solar panel operating at 0.908 V(@13 mA/cm2),using an“irregular”BPM.BPMbased asymmetric water electrolysis is a promising alternative to conventional proton and anion exchange membrane water electrolysis.
基金supported by the National Natural Science Foundation of China(51972001,52103111,and 22005002)the Natural Science Fund of Education Department of Anhui Province(KJ2019A0013)+4 种基金Changjiang Scholars and Innovative Research Team in UniversityAnhui University Scientific Research Start-up Fund(S020318006/005 and S020318008/026)the Key Lab of Photovoltaic and Energy Conservation Materials,Chinese Academy of Sciences(PECL2019KF012)Anhui Province Educational Quality Engineering Foundation Program(2020xfxm67)the Natural Science Foundation of Anhui Educational Committee(KJHS2021B11 and KJ2021ZD0121)。
基金financially supported by the National Natural Science Foundation of China(No.52207249)the research program of Top Talent Project of Yantai University(No.1115/2220001)+1 种基金the Yantai Basic Research Project(No.2022JCYJ04)the Science Fund of Shandong Laboratory of Advanced Materials and Green Manufacturing(No.AMGM2021F11).
文摘Three-dimensional holey nitrogen-doped carbon matrixes decorated with molybdenum dioxide(MoO_(2))nanoparticles have been successfully synthesized via a NaCl-assisted template strategy.The obtained MoO_(2)/C composites offered multi-advantages,including higher specific surface area,more active sites,more ions/electrons transmission channels,and shorter transmission path due to the synergistic effect of the uniformly distributed MoO_(2) nanoparticles and porous carbon structure.Especially,the oxygen vacancies were introduced into the prepared composites and enhanced the Li^(+)intercalation/deintercalation process during electrochemical cycling by the Coulomb force.The existence of the local built-in electric field was proved by experimental data,differential charge density distribution,and density of states calculation.The uniquely designed structure and introduced oxygen vacancy defects endowed the MoO_(2)/C composites with excellent electrochemical properties.In view of the synergistic effect of the uniquely designed morphology and introduced oxygen vacancy defects,the MoO_(2)/C composites exhibited superior electrochemical performance of a high capacity of 918.2 mAh g^(-1) at 0.1 A g^(-1) after 130 cycles,562.1 mAh g^(-1) at 1.0 A g^(-1) after 1000 cycles,and a capacity of 181.25 mAh g^(-1) even at 20.0 A g^(-1).This strategy highlights the path to promote the commercial application of MoO_(2)-based and other transition metal oxide electrodes for energy storage devices.
基金Agency for Science,Technology and Research(A18A7b0058)Innovation and Technology Commission(GHP/043/19SZ,GHP/044/19GD)+2 种基金Hong Kong Research Grant Council(15217721,C5078-21EF,R5029-19)Guangdong Science and Technology Department(2019A1515011374,2019BT02X105)National Natural Science Foundation of China(81627805,81930048)。
文摘Information retrieval from visually random optical speckle patterns is desired in many scenarios yet considered challenging.It requires accurate understanding or mapping of the multiple scattering process,or reliable capability to reverse or compensate for the scattering-induced phase distortions.In whatever situation,effective resolving and digitization of speckle patterns are necessary.Nevertheless,on some occasions,to increase the acquisition speed and/or signal-to-noise ratio(SNR),speckles captured by cameras are inevitably sampled in the sub-Nyquist domain via pixel binning(one camera pixel contains multiple speckle grains)due to finite size or limited bandwidth of photosensors.Such a down-sampling process is irreversible;it undermines the fine structures of speckle grains and hence the encoded information,preventing successful information extraction.To retrace the lost information,super-resolution interpolation for such sub-Nyquist sampled speckles is needed.In this work,a deep neural network,namely SpkSRNet,is proposed to effectively up sample speckles that are sampled below 1/10 of the Nyquist criterion to well-resolved ones that not only resemble the comprehensive morphology of original speckles(decompose multiple speckle grains from one camera pixel)but also recover the lost complex information(human face in this study)with high fidelity under normal-and low-light conditions,which is impossible with classic interpolation methods.These successful speckle super-resolution interpolation demonstrations are essentially enabled by the strong implicit correlation among speckle grains,which is non-quantifiable but could be discovered by the well-trained network.With further engineering,the proposed learning platform may benefit many scenarios that are physically inaccessible,enabling fast acquisition of speckles with sufficient SNR and opening up new avenues for seeing big and seeing clearly simultaneously in complex scenarios.
文摘Multiple scattering can significantly scramble the amplitude and phase profile of an optical field.It obscures subtle observations but only speckle patterns can be seen,unlike the ballistic regime where the information or the optical field can be identified with limited distortions.Efficient optical manipulation including information transmission and precise focusing is therefore obstructed as light travels deep into turbidmedia such as fog,turbid fluids,and biological tissues.
基金National Key Research and Development Program of China(2017YFA0700401)National Natural Science Foundation of China(81627805,81671726,81827808,81930048)+4 种基金Research Grants Council,University Grants Committee(25204416)Innovation and Technology Commission(GHP/043/19SZ,GHP/044/19GD,ITS/022/18)Guangdong Science and Technology Department(2019A1515011374,2019BT02X105)Science,Technology and Innovation Commission of Shenzhen Municipality(JCYJ20170818104421564)Youth Innovation Promotion Association of the Chinese Academy of Sciences(2018167)。
文摘Optical imaging through or inside scattering media, such as multimode fiber and biological tissues, has a significant impact in biomedicine yet is considered challenging due to the strong scattering nature of light. In the past decade, promising progress has been made in the field, largely benefiting from the invention of iterative optical wavefront shaping, with which deep-tissue high-resolution optical focusing and hence imaging becomes possible. Most of the reported iterative algorithms can overcome small perturbations on the noise level but fail to effectively adapt beyond the noise level, e.g., sudden strong perturbations. Reoptimizations are usually needed for significant decorrelation to the medium since these algorithms heavily rely on the optimization performance in the previous iterations. Such ineffectiveness is probably due to the absence of a metric that can gauge the deviation of the instant wavefront from the optimum compensation based on the concurrently measured optical focusing.In this study, a square rule of binary-amplitude modulation, directly relating the measured focusing performance with the error in the optimized wavefront, is theoretically proved and experimentally validated. With this simple rule, it is feasible to quantify how many pixels on the spatial light modulator incorrectly modulate the wavefront for the instant status of the medium or the whole system. As an example of application, we propose a novel algorithm, the dynamic mutation algorithm, which has high adaptability against perturbations by probing how far the optimization has gone toward the theoretically optimal performance. The diminished focus of scattered light can be effectively recovered when perturbations to the medium cause a significant drop in the focusing performance, which no existing algorithms can achieve due to their inherent strong dependence on previous optimizations. With further improvement, the square rule and the new algorithm may boost or inspire many applications, such as high-resolution optical imaging and stimulation, in instable or dynamic scattering environments.
基金National Natural Science Foundation of China(81627805,81671726,81671851,81827808,81930048)National Key Research and Development Program of China(2016YFC0103803,2017YFA0700401)+3 种基金Hong Kong Research Grants Council,University Grants Committee(25204416)Hong Kong Innovation and Technology Commission(ITS/022/18)Shenzhen Science:and Technology Innovation Commission(CYJ20170818104421564)CAS Scientific Instrument RD Programs(YjKYYQ20170075).
文摘Edge enhancement is a fundamental and important topic in imaging and image processing,as perception of edge is one of the keys to identify and comprehend the contents of an image.Edge enhancement can be performed in many ways,through hardware or computation.Existing methods,however,have been limited in free space or clear media for optical applications;in scattering media such as biological tissue,light is multiple scattered,and information is scrambled to a form of seemingly random speckles.Although desired,it is challenging to accom-plish edge enhancement in the presence of multiple scattering.In this work,we introduce an implementation of optical wavefront shaping to achieve efficient edge enhancement through scattering media by a two-step operation.The first step is to acquire a hologram after the scattering medium,where information of the edge region is accurately encoded,while that of the nonedge region is intentionally encoded with inadequate accuracy.The second step is to decode the edge information by time reversing the scattered light.The capability is demonstrated experimentally,and,further,the performance,as measured by the edge enhancement index(EI)and enhancement-to-noise ratio(ENR),can be controlled easily through tuning the beam ratio.EI and ENR can be reinforced by^8.5 and^263 folds,respectively.To the best of our knowledge,this is the first demonstration that edge information of a spatial pattern can be extracted through strong turbidity,which can potentially enrich the comprehension of actual images obtained from a complex environment.
文摘Time-gated reflection matrix(RM)has been successfully used for optical imaging deep inside Scattering media.Recently,this method was extended to enhance the spatiotemporal focusing of light ultra-deep inside scattering media.This is achieved by calibrating the decomposition of the RM with the Tikhonov regularization parameter to convert mutiply scattered photons that share the same time of flight with the singly scattered photons into singly scattered photons.Such a capability suggests a reshaping to the interaction mechanism between light and scattering media,which may beneft or inspire wide optical applications that desire enhanced spatiotemporal focusing of light at depths inside scattering media.
基金supported by National Natural Science Foundation of China(NSFC)(81930048,81627805)Hong Kong Research Grant Council(15217721,R5029-19,C7074-21GF)+3 种基金Hong Kong Innovation and Technology Commission(GHP/043/19SZ,GHP/044/19GD)Guangdong Science and Technology Commission(2019A1515011374,2019BT02X105)National Research Foundation of Korea(2015R1A3A2066550,2021R1A2C3012903)Institute of Information&Communications Technology Planning&Evaluation(IITP,2021-0-00745)grant funded by the Korea government(MSIT).
文摘Optical techniques offer a wide variety of applications as light-matter interactions provide extremely sensitive mechanisms to probe or treat target media.Most of these implementations rely on the usage of ballistic or quasi-ballistic photons to achieve high spatial resolution.However,the inherent scattering nature of light in biological tissues or tissue-like scattering media constitutes a critical obstacle that has restricted the penetration depth of non-scattered photons and hence limited the implementation of most optical techniques for wider applications.In addition,the components of an optical system are usually designed and manufactured for a fixed function or performance.Recent advances in wavefront shaping have demonstrated that scattering-or component-induced phase distortions can be compensated by optimizing the wavefront of the input light pattern through iteration or by conjugating the transmission matrix of the scattering medium.
基金The financial support was provided by the National Natural Science Foundation of China(no.22001181 and 22077090)the Sichuan Science and Technology Program(2021YJ0407).
文摘A highly efficient dearomatization of 3-(2-isocyanoethyl)indoles with in situ generated nitrile imines has been developed through a nucleophilic/Friedel–Crafts/aza-Mannich type cascade and 1,3-dipolar cyclo-addition reaction under catalyst-free and mild reaction conditions.This strategy offers a novel and con-venient route to the rapid assembly of a wide range of unprecedented polycyclic indoline scaffolds in moderate to excellent yields and diastereoselectivities.
