The Social Internet of Things(SIoT)integrates the Internet of Things(IoT)and social networks,taking into account the social attributes of objects and diversifying the relationship between humans and objects,which over...The Social Internet of Things(SIoT)integrates the Internet of Things(IoT)and social networks,taking into account the social attributes of objects and diversifying the relationship between humans and objects,which overcomes the limitations of the IoT’s focus on associations between objects.Artificial Intelligence(AI)technology is rapidly evolving.It is critical to build trustworthy and transparent systems,especially with system security issues coming to the surface.This paper emphasizes the social attributes of objects and uses hypergraphs to model the diverse entities and relationships in SIoT,aiming to build an SIoT hypergraph generation model to explore the complex interactions between entities in the context of intelligent SIoT.Current hypergraph generation models impose too many constraints and fail to capture more details of real hypernetworks.In contrast,this paper proposes a hypergraph generation model that evolves dynamically over time,where only the number of nodes is fixed.It combines node wandering with a forest fire model and uses two different methods to control the size of the hyperedges.As new nodes are added,the model can promptly reflect changes in entities and relationships within SIoT.Experimental results exhibit that our model can effectively replicate the topological structure of real-world hypernetworks.We also evaluate the vulnerability of the hypergraph under different attack strategies,which provides theoretical support for building a more robust intelligent SIoT hypergraph model and lays the foundation for building safer and more reliable systems in the future.展开更多
The ATP-binding cassette(ABC)transporter is a gene superfamily in plants.ATP-binding cassette subfamily C(ABCC)protein is a multidrug resistance-associated(MRP)transporter.They play various roles in plant growth,devel...The ATP-binding cassette(ABC)transporter is a gene superfamily in plants.ATP-binding cassette subfamily C(ABCC)protein is a multidrug resistance-associated(MRP)transporter.They play various roles in plant growth,development,and secondary metabolite transport.However,there are few studies on ABCC transporters in tea plants.In this study,genome-wide association study(GWAS)analysis of epigallocatechin gallate(EGCG)content in 108 strains of Kingbird revealed that CsABCCs may be involved in EGCG transport.We identified 25 CsABCC genes at the genomic level of the tea plant,their phylogenetic tree,gene structure,targeted miRNA and other bioinformatics were analyzed.The expression patterns of CsABCCs in eight different tissues and abiotic stress indicate that they have potential roles in regulating the growth,development,and defense of tea plants.The correlation analysis revealed that the expression of the CsABCC11 gene was closely related to the EGCG content in tea buds of 108 strains of the Kingbird,and the subcellular localization experiments in tobacco showed that CsABCC11 protein was localized on the plasma membrane.The virus-induced gene silencing(VIGS)strategy in tea plants further verified that CsABCC11 was involved in EGCG accumulation.Our study laid a foundation for studying the biological function of CsABCC and provided a new candidate molecular marker gene for further EGCG-related variety breeding,which will be of great interest to breeders.展开更多
Circular RNAs(circRNAs)are emerging as a promising alternative to messenger RNAs(mRNAs)in gene delivery applications due to their enhanced stability and translation.Developing circRNA-based therapeutic platforms requi...Circular RNAs(circRNAs)are emerging as a promising alternative to messenger RNAs(mRNAs)in gene delivery applications due to their enhanced stability and translation.Developing circRNA-based therapeutic platforms requires efficient manufacturing of circRNA with broad scalability.However,the permuted intron-exon(PIE)-based circRNA production commonly used to date involves complex RNA synthesis,circularization,precursor RNA digestion,and impurity removal steps that have limited practical applications.While co-transcriptional circularization could effectively streamline circRNA production,and both cellulose/phosphatase treatment and high-performance liquid chromatography(HPLC)have demonstrated their reliability in mRNA manufacturing,their potential effects on the quality,translation,and reactogenicity of circRNA remained to be fully investigated.Here,using circRNAs systematically manufactured through three independent workflows,we comprehensively examined the utilities of these RNA synthesis and processing methods in circRNA production by comparing the integrity,translation,and immunogenicity of their circRNA products.We began by manufacturing a mNeonGreen(mNG)-encoding circRNA through these workflows and subsequently assessed circRNA integrity via E-gel EX electrophoresis.Protein expression was then monitored in HEK 293T,A549,and DC2.4 cells at 72 hours post-transfection.Finally,we evaluated the immunogenicity of these circRNAs by measuring their interferon beta(IFN-β)induction in A549 cells at 4 hours post-transfection.Using HPLC purification over cellulose and phosphatase treatment resulted in 10-14%higher circRNA enrichment by reducing nicking associated with processing conditions.Protein expression remained consistent across circRNAs from different workflows(P>0.05),demonstrating that co-transcriptional circularization produces circRNA with translation levels comparable to those obtained from the conventional PIE method.Moreover,both cellulose/phosphatase treatment and HPLC purification effectively minimized IFN-βinduction of the purified circRNAs,confirming their reliability in removing immunogenic impurities introduced during in vitro transcription and their compatibility with the co-transcriptional circularization strategy.Collectively,our results provide valuable insights for improving the production efficiency and scalability of circRNA manufacturing that are crucial for addressing key bottlenecks in the development of circRNA-based therapeutic applications.展开更多
In China, combustion of fossil fuels and biomass has produced serious air pollution that does harm to human health. Based on dose-response relationships derived from epidemiological studies, the authors calculated the...In China, combustion of fossil fuels and biomass has produced serious air pollution that does harm to human health. Based on dose-response relationships derived from epidemiological studies, the authors calculated the number of deaths and people with health problems which were thought to be attributable to China's air pollution in the year of 2000. In order to estimate the corresponding economic impacts from the national point of view, the general equilibrium approach was selected as an analysis tool for this study. A computable general equilibrium (CGE) model was constructed involving 39 sectors and 32 commodities. The human capital approach (HCA) was also used for comparison. The economic burden of disease for people estimated by HCA was equivalent to 1.26‰ (ranging from 0.44‰ to 1.84‰) of China's gross domestic product (GDP). China's GDP loss estimated by the general equilibrium approach reached 0.38‰ (ranging from 0.16‰ to 0.51‰). The difference between the two approaches and the implications of the results were discussed.展开更多
Multiple cellular components, including neuronal, glial and endothelial ceils, are involved in the sophis- ticated pathological processes following central nervous system injury. The pathological process cannot reduce...Multiple cellular components, including neuronal, glial and endothelial ceils, are involved in the sophis- ticated pathological processes following central nervous system injury. The pathological process cannot reduce damage or improve functional recovery by merely targeting the molecular mechanisms of neuronal cell death after central nerve system injuries. Eph receptors and ephrin ligands have drawn wide attention since the discovery of their extensive distribution and unique bidirectional signaling between astrocytes and neurons. The roles of Eph/ephrin bidirectional signaling in the developmental processes have been re- ported in previous research. Recent observations suggest that Eph/ephrin bidirectional signaling continues to be expressed in most regions and cell types in the adult central nervous system, playing diverse roles. The Eph/ephrin complex mediates neurogenesis and angiogenesis, promotes glial scar formation, regulates endocrine levels, inhibits myelin formation and aggravates inflammation and nerve pain caused by injury. ~lhe interaction between Eph and ephrin is also considered to be the key to angiogenesis. This review focus- es on the roles of Eph/ephrin bidirectional signaling in the repair of central nervous system injuries.展开更多
There are currently two commonly used approaches to assessing economic impacts of health damage resulting from environmental pollution: human capital approach (HCA) and willingness-to-pay (WTP). WTP can be furthe...There are currently two commonly used approaches to assessing economic impacts of health damage resulting from environmental pollution: human capital approach (HCA) and willingness-to-pay (WTP). WTP can be further divided into averted expenditure approach (AEA), hedonlc wage approach (HWA), contingent valuation approach (CVA) and hedonlc price approach (HPA). A general review of the principles behind these approaches by the authors indicates that these methods are incapable of unveiling the mechanism of health impact from the point of view of national economy. On a basis of economic system, the shocks brought about by health effects of environmental pollution change the labor supply and medical expenditure, which in turn affects the level of production activity in each sector and the total final consumption pattern of the society. The general equilibrium approach within the framework of macroeconomic theory is able to estimate the health impact on national economy comprehensively and objectively. Its mechanism and applicability are discussed in detail by the authors.展开更多
Acid-base dissociation constant(pK_(a)) is a key physicochemical parameter in chemical science, especially in organic synthesis and drug discovery. Current methodologies for pK_(a) prediction still suffer from limited...Acid-base dissociation constant(pK_(a)) is a key physicochemical parameter in chemical science, especially in organic synthesis and drug discovery. Current methodologies for pK_(a) prediction still suffer from limited applicability domain and lack of chemical insight. Here we present MF-SuP-pK_(a)(multi-fidelity modeling with subgraph pooling for pK_(a) prediction), a novel pK_(a) prediction model that utilizes subgraph pooling, multi-fidelity learning and data augmentation. In our model, a knowledgeaware subgraph pooling strategy was designed to capture the local and global environments around the ionization sites for micro-pK_(a) prediction. To overcome the scarcity of accurate pK_(a) data, lowfidelity data(computational pK_(a)) was used to fit the high-fidelity data(experimental pK_(a)) through transfer learning. The final MF-SuP-pK_(a) model was constructed by pre-training on the augmented ChEMBL data set and fine-tuning on the DataWarrior data set. Extensive evaluation on the DataWarrior data set and three benchmark data sets shows that MF-SuP-pK_(a) achieves superior performances to the state-of-theart pK_(a) prediction models while requires much less high-fidelity training data. Compared with Attentive FP, MF-SuP-pK_(a) achieves 23.83% and 20.12% improvement in terms of mean absolute error(MAE) on the acidic and basic sets, respectively.展开更多
Hollow metal-organic frameworks(MOFs)have attracted increasing attention in the field of catalysis in recent years due to their unique cavity structure with fast mass-diffusion rates and easily accessible active sites...Hollow metal-organic frameworks(MOFs)have attracted increasing attention in the field of catalysis in recent years due to their unique cavity structure with fast mass-diffusion rates and easily accessible active sites.Here,we report the use of dynamic modulators,which are formed by the in-situ imine condensation reaction of 4-aminobenzoic acid and 4-formylbenzoic acid,to regulate the growth of MOFs to synthesize well-defined hollow thioether functionalized UiO-67(denoted as H-UiO-67-S)single crystals.After supporting Pd nanoparticles,the designed catalysts Pd@H-UiO-67-S show excellent conversion(>99.9%),selectivity(>99.9%),and stability(10 cycles)in the selective hydrogenation of nitrobenzenes with other reducible groups.Density functional theory calculations and the experimental results reveal that Pd nanoparticles not only selectively adsorb the nitro-groups on nitrobenzene,but also restrict the adsorption of the aniline product,due to the interaction of thioether with Pd in the confined pores of H-UiO-67-S,finally result in a significant increase in selectivity of nitro-hydrogenation.展开更多
The blood circulatory system is the largest system of fluid flow in the human body,and it has been widely studied and well understood.Pulsation characterizes the blood circulatory system and results in three essential...The blood circulatory system is the largest system of fluid flow in the human body,and it has been widely studied and well understood.Pulsation characterizes the blood circulatory system and results in three essentials,including(i)pressure fluctuations attributed to pumping of the heart,(ii)the self-regulatory,elastic cardiac muscle,which is sensitive to pressure variance and controls the output volume of the heart,and(iii)valves controlling the one-way flow.展开更多
Photocatalysis,via conversion of light into valuable chemicals,is an economic and effective way to utilize inexhaustible solar energy for the sustainable development of our human society.Aiming at killing two birds wi...Photocatalysis,via conversion of light into valuable chemicals,is an economic and effective way to utilize inexhaustible solar energy for the sustainable development of our human society.Aiming at killing two birds with one stone,metal nanoparticle(MNP)/metal-organic framework(MOF)composites via integration of the individual advantages of MNP and MOF have been becoming a versatile photocatalyst.Moreover,owing to the synergist effect between each component,MNP/MOF composite photocatalysts usually show greatly promoted catalytic activity,selectivity and long-term recyclability.In this review,first of all,the widely adopted synthesis strategies of MNP/MOF composite are introduced comprehensively,and then their recent advances in photocatalysis including photocatalytic hydrogen production,carbon dioxide reduction,organic transformation reactions and photodegradation of pollutants are summarized and highlighted.Finally,challenges and perspectives among MNP/MOF based photocatalysis are also proposed and discussed for advancing further development in this hot research field.展开更多
RNA structures are essential to support RNA functions and regulation in various biological processes. Recently, a range of novel technologies have been developed to decode genome-wide RNA structures and novel modes of...RNA structures are essential to support RNA functions and regulation in various biological processes. Recently, a range of novel technologies have been developed to decode genome-wide RNA structures and novel modes of functionality across a wide range of species. In this review, we summarize key strategies for probing the RNA structurome and discuss the pros and cons of representative technologies. In particular, these new technologies have been applied to dissect the structural landscape of the SARS-CoV-2 RNA genome. We also summarize the functionalities of RNA structures discovered in different regulatory layers-including RNA processing, transport, localization, and mRNA translation-across viruses, bacteria, animals, and plants. We review many versatile RNA structural elements in the context of different physiological and pathological processes(e.g., cell differentiation, stress response, and viral replication). Finally, we discuss future prospects for RNA structural studies to map the RNA structurome at higher resolution and at the single-molecule and single-cell level, and to decipher novel modes of RNA structures and functions for innovative applications.展开更多
As emerging two-dimensional materials, metal-organic framework(MOF) nanosheet composites possess many unique physical and chemical properties, thus being expected to be widely applied in gas separation and adsorption,...As emerging two-dimensional materials, metal-organic framework(MOF) nanosheet composites possess many unique physical and chemical properties, thus being expected to be widely applied in gas separation and adsorption, energy conversion and storage, heterogeneous catalysis, sensing as well as biomedicine. In this review, we first introduce the methods for integrating MOF nanosheets with other materials to prepare multifunctional composites. Next, the applications of MOF nanosheet composites in versatile fields are summarized and discussed. We hope this review will be instructive for researchers in the aspects of designs, preparations and applications of MOF nanosheet composites.展开更多
In the past decades,metal-organic frameworks(MOFs)and covalent organic frameworks(COFs)basically enjoy the coordination chemistry and covalent chemistry,respectively,and such uniqueness has become the major obstacle h...In the past decades,metal-organic frameworks(MOFs)and covalent organic frameworks(COFs)basically enjoy the coordination chemistry and covalent chemistry,respectively,and such uniqueness has become the major obstacle hampering their further scope diversity and application multi-functionalization.Inspired from the principle of organic retrosynthesis,combining coordination bond and covalent bond together offers additional opportunities for constructing novel MOFs,COFs and MOF@COF hybrids as well as confer on them superior performances in versatile application fields.In this review,we firstly classify and summarize the recently reported synthesis strategies based on the integration of metal-ligand coordination and dynamic covalent bonds.Then,the application performances of as-constructed MOFs,COFs as well as MOF@COF hybrids are discussed and highlighted in the fields of adsorption,separation,catalysis,biosensing,energy storage and so on.Last,our personal insights of the remaining challenges and further prospects are also provided,in order to trigger much more inspirations and endeavors for this hot research field.展开更多
We have fabricated hybrid molecular chain structures formed by electron acceptor compound 1 and electron donor molecules 2 and 3 at the liquid/solid interface of graphite surface.The structural details of the mono-com...We have fabricated hybrid molecular chain structures formed by electron acceptor compound 1 and electron donor molecules 2 and 3 at the liquid/solid interface of graphite surface.The structural details of the mono-component and the binary assemblies are revealed by high resolution scanning tunneling microscopy (STM).Compound 1 can form two well-ordered lamellar patterns at different concentrations.In the co-adsorption structures,compounds 2 and 3 can insert into the space between molecular chains of compound 1 and form large area well-ordered nanoscale phase separated lamellar structures.The unit cell parameters for the coassemblies can be "flexibly" adjusted to make the electron donors and acceptors perfectly match along the molecular chains.Scanning tunneling spectroscopy (STS) results indicate that the electronic properties of individual molecular donors and acceptors are preserved in the binary self-assembly.These results provide molecular insight into the nanoscale phase separation of organic electron acceptors and donors on surfaces and are helpful for the fabrication of surface supramolecular structures and molecular devices.展开更多
文摘The Social Internet of Things(SIoT)integrates the Internet of Things(IoT)and social networks,taking into account the social attributes of objects and diversifying the relationship between humans and objects,which overcomes the limitations of the IoT’s focus on associations between objects.Artificial Intelligence(AI)technology is rapidly evolving.It is critical to build trustworthy and transparent systems,especially with system security issues coming to the surface.This paper emphasizes the social attributes of objects and uses hypergraphs to model the diverse entities and relationships in SIoT,aiming to build an SIoT hypergraph generation model to explore the complex interactions between entities in the context of intelligent SIoT.Current hypergraph generation models impose too many constraints and fail to capture more details of real hypernetworks.In contrast,this paper proposes a hypergraph generation model that evolves dynamically over time,where only the number of nodes is fixed.It combines node wandering with a forest fire model and uses two different methods to control the size of the hyperedges.As new nodes are added,the model can promptly reflect changes in entities and relationships within SIoT.Experimental results exhibit that our model can effectively replicate the topological structure of real-world hypernetworks.We also evaluate the vulnerability of the hypergraph under different attack strategies,which provides theoretical support for building a more robust intelligent SIoT hypergraph model and lays the foundation for building safer and more reliable systems in the future.
基金supported by the Guizhou University Talent Introduction Program([2021]05)Guizhou University Cultivation Program([2020]48)+2 种基金Institute of Technology of YF([2022]017)Guizhou Province High-Level Innovative Talents“Hundred”Level Talent Project(Qiankehe Platform Talent)GCC[2023]014Supported by the earmarked fund for GZMARS-Tea and Research on the Planting Technology of China HUANENG Photovoltaic Tea Garden(Project No.HNKJ2022-H135).
文摘The ATP-binding cassette(ABC)transporter is a gene superfamily in plants.ATP-binding cassette subfamily C(ABCC)protein is a multidrug resistance-associated(MRP)transporter.They play various roles in plant growth,development,and secondary metabolite transport.However,there are few studies on ABCC transporters in tea plants.In this study,genome-wide association study(GWAS)analysis of epigallocatechin gallate(EGCG)content in 108 strains of Kingbird revealed that CsABCCs may be involved in EGCG transport.We identified 25 CsABCC genes at the genomic level of the tea plant,their phylogenetic tree,gene structure,targeted miRNA and other bioinformatics were analyzed.The expression patterns of CsABCCs in eight different tissues and abiotic stress indicate that they have potential roles in regulating the growth,development,and defense of tea plants.The correlation analysis revealed that the expression of the CsABCC11 gene was closely related to the EGCG content in tea buds of 108 strains of the Kingbird,and the subcellular localization experiments in tobacco showed that CsABCC11 protein was localized on the plasma membrane.The virus-induced gene silencing(VIGS)strategy in tea plants further verified that CsABCC11 was involved in EGCG accumulation.Our study laid a foundation for studying the biological function of CsABCC and provided a new candidate molecular marker gene for further EGCG-related variety breeding,which will be of great interest to breeders.
文摘Circular RNAs(circRNAs)are emerging as a promising alternative to messenger RNAs(mRNAs)in gene delivery applications due to their enhanced stability and translation.Developing circRNA-based therapeutic platforms requires efficient manufacturing of circRNA with broad scalability.However,the permuted intron-exon(PIE)-based circRNA production commonly used to date involves complex RNA synthesis,circularization,precursor RNA digestion,and impurity removal steps that have limited practical applications.While co-transcriptional circularization could effectively streamline circRNA production,and both cellulose/phosphatase treatment and high-performance liquid chromatography(HPLC)have demonstrated their reliability in mRNA manufacturing,their potential effects on the quality,translation,and reactogenicity of circRNA remained to be fully investigated.Here,using circRNAs systematically manufactured through three independent workflows,we comprehensively examined the utilities of these RNA synthesis and processing methods in circRNA production by comparing the integrity,translation,and immunogenicity of their circRNA products.We began by manufacturing a mNeonGreen(mNG)-encoding circRNA through these workflows and subsequently assessed circRNA integrity via E-gel EX electrophoresis.Protein expression was then monitored in HEK 293T,A549,and DC2.4 cells at 72 hours post-transfection.Finally,we evaluated the immunogenicity of these circRNAs by measuring their interferon beta(IFN-β)induction in A549 cells at 4 hours post-transfection.Using HPLC purification over cellulose and phosphatase treatment resulted in 10-14%higher circRNA enrichment by reducing nicking associated with processing conditions.Protein expression remained consistent across circRNAs from different workflows(P>0.05),demonstrating that co-transcriptional circularization produces circRNA with translation levels comparable to those obtained from the conventional PIE method.Moreover,both cellulose/phosphatase treatment and HPLC purification effectively minimized IFN-βinduction of the purified circRNAs,confirming their reliability in removing immunogenic impurities introduced during in vitro transcription and their compatibility with the co-transcriptional circularization strategy.Collectively,our results provide valuable insights for improving the production efficiency and scalability of circRNA manufacturing that are crucial for addressing key bottlenecks in the development of circRNA-based therapeutic applications.
文摘In China, combustion of fossil fuels and biomass has produced serious air pollution that does harm to human health. Based on dose-response relationships derived from epidemiological studies, the authors calculated the number of deaths and people with health problems which were thought to be attributable to China's air pollution in the year of 2000. In order to estimate the corresponding economic impacts from the national point of view, the general equilibrium approach was selected as an analysis tool for this study. A computable general equilibrium (CGE) model was constructed involving 39 sectors and 32 commodities. The human capital approach (HCA) was also used for comparison. The economic burden of disease for people estimated by HCA was equivalent to 1.26‰ (ranging from 0.44‰ to 1.84‰) of China's gross domestic product (GDP). China's GDP loss estimated by the general equilibrium approach reached 0.38‰ (ranging from 0.16‰ to 0.51‰). The difference between the two approaches and the implications of the results were discussed.
基金supported by the National Natural Science Foundation of China,No.81371312,81030021the National Basic Research Development Program of China(973 Program),No.2011CB504403
文摘Multiple cellular components, including neuronal, glial and endothelial ceils, are involved in the sophis- ticated pathological processes following central nervous system injury. The pathological process cannot reduce damage or improve functional recovery by merely targeting the molecular mechanisms of neuronal cell death after central nerve system injuries. Eph receptors and ephrin ligands have drawn wide attention since the discovery of their extensive distribution and unique bidirectional signaling between astrocytes and neurons. The roles of Eph/ephrin bidirectional signaling in the developmental processes have been re- ported in previous research. Recent observations suggest that Eph/ephrin bidirectional signaling continues to be expressed in most regions and cell types in the adult central nervous system, playing diverse roles. The Eph/ephrin complex mediates neurogenesis and angiogenesis, promotes glial scar formation, regulates endocrine levels, inhibits myelin formation and aggravates inflammation and nerve pain caused by injury. ~lhe interaction between Eph and ephrin is also considered to be the key to angiogenesis. This review focus- es on the roles of Eph/ephrin bidirectional signaling in the repair of central nervous system injuries.
基金This study is an international collaboration project between Energy Research Institute, China and National Institute for EnvironmentalStudies, Japan.
文摘There are currently two commonly used approaches to assessing economic impacts of health damage resulting from environmental pollution: human capital approach (HCA) and willingness-to-pay (WTP). WTP can be further divided into averted expenditure approach (AEA), hedonlc wage approach (HWA), contingent valuation approach (CVA) and hedonlc price approach (HPA). A general review of the principles behind these approaches by the authors indicates that these methods are incapable of unveiling the mechanism of health impact from the point of view of national economy. On a basis of economic system, the shocks brought about by health effects of environmental pollution change the labor supply and medical expenditure, which in turn affects the level of production activity in each sector and the total final consumption pattern of the society. The general equilibrium approach within the framework of macroeconomic theory is able to estimate the health impact on national economy comprehensively and objectively. Its mechanism and applicability are discussed in detail by the authors.
基金financially supported by National Key Research and Development Program of China (2021YFF1201400)National Natural Science Foundation of China (22220102001)Natural Science Foundation of Zhejiang Province (LZ19H300001, LD22H300001, China)。
文摘Acid-base dissociation constant(pK_(a)) is a key physicochemical parameter in chemical science, especially in organic synthesis and drug discovery. Current methodologies for pK_(a) prediction still suffer from limited applicability domain and lack of chemical insight. Here we present MF-SuP-pK_(a)(multi-fidelity modeling with subgraph pooling for pK_(a) prediction), a novel pK_(a) prediction model that utilizes subgraph pooling, multi-fidelity learning and data augmentation. In our model, a knowledgeaware subgraph pooling strategy was designed to capture the local and global environments around the ionization sites for micro-pK_(a) prediction. To overcome the scarcity of accurate pK_(a) data, lowfidelity data(computational pK_(a)) was used to fit the high-fidelity data(experimental pK_(a)) through transfer learning. The final MF-SuP-pK_(a) model was constructed by pre-training on the augmented ChEMBL data set and fine-tuning on the DataWarrior data set. Extensive evaluation on the DataWarrior data set and three benchmark data sets shows that MF-SuP-pK_(a) achieves superior performances to the state-of-theart pK_(a) prediction models while requires much less high-fidelity training data. Compared with Attentive FP, MF-SuP-pK_(a) achieves 23.83% and 20.12% improvement in terms of mean absolute error(MAE) on the acidic and basic sets, respectively.
基金The authors acknowledge financial support from the National Natural Science Foundation of China(Nos.21905195,M.T.Z.and 22103055,J.G.)Natural Science Foundation of Tianjin City(No.20JCYBJC00800,M.T.Z.)+1 种基金Science and Technology Plans of Tianjin(No.21ZYJDJC00050,J.G.)PEIYANG Young Scholars Program of Tianjin University(No.2020XRX-0023,M.T.Z.).
文摘Hollow metal-organic frameworks(MOFs)have attracted increasing attention in the field of catalysis in recent years due to their unique cavity structure with fast mass-diffusion rates and easily accessible active sites.Here,we report the use of dynamic modulators,which are formed by the in-situ imine condensation reaction of 4-aminobenzoic acid and 4-formylbenzoic acid,to regulate the growth of MOFs to synthesize well-defined hollow thioether functionalized UiO-67(denoted as H-UiO-67-S)single crystals.After supporting Pd nanoparticles,the designed catalysts Pd@H-UiO-67-S show excellent conversion(>99.9%),selectivity(>99.9%),and stability(10 cycles)in the selective hydrogenation of nitrobenzenes with other reducible groups.Density functional theory calculations and the experimental results reveal that Pd nanoparticles not only selectively adsorb the nitro-groups on nitrobenzene,but also restrict the adsorption of the aniline product,due to the interaction of thioether with Pd in the confined pores of H-UiO-67-S,finally result in a significant increase in selectivity of nitro-hydrogenation.
基金supported by the National Natural Science Foundation of China(82130029)the National Key Research and Development Program of China(2022YEF0132500)Qingdao Key Technology and Industrialization Project(23-1-4-xxgg-16-nsh)。
文摘The blood circulatory system is the largest system of fluid flow in the human body,and it has been widely studied and well understood.Pulsation characterizes the blood circulatory system and results in three essentials,including(i)pressure fluctuations attributed to pumping of the heart,(ii)the self-regulatory,elastic cardiac muscle,which is sensitive to pressure variance and controls the output volume of the heart,and(iii)valves controlling the one-way flow.
基金This research was financially supported by the National Key Basic Research Program of China(No.2016YFA0200700,Z.Y.T.)the National Natural Science Foundation of China(Nos.21890381 and 21721002,Z.Y.T.)+1 种基金Frontier Science Key Project of Chinese Academy of Sciences(No.QYZDJ-SSW-SLH038,Z.Y.T.)K.C.Wong Education Foundation(Z.Y.T.)and the National Natural Science Foundation of China(No.21905195,M.T.Z.).
文摘Photocatalysis,via conversion of light into valuable chemicals,is an economic and effective way to utilize inexhaustible solar energy for the sustainable development of our human society.Aiming at killing two birds with one stone,metal nanoparticle(MNP)/metal-organic framework(MOF)composites via integration of the individual advantages of MNP and MOF have been becoming a versatile photocatalyst.Moreover,owing to the synergist effect between each component,MNP/MOF composite photocatalysts usually show greatly promoted catalytic activity,selectivity and long-term recyclability.In this review,first of all,the widely adopted synthesis strategies of MNP/MOF composite are introduced comprehensively,and then their recent advances in photocatalysis including photocatalytic hydrogen production,carbon dioxide reduction,organic transformation reactions and photodegradation of pollutants are summarized and highlighted.Finally,challenges and perspectives among MNP/MOF based photocatalysis are also proposed and discussed for advancing further development in this hot research field.
基金supported by the National Key Research and Development Program of China(2021YFE0114900)the National Natural Science Foundation of China(91940303,91940306,32025008,32170262,31922039,U1832215,32170229)+6 种基金the Natural Science Foundation of Zhejiang Province(LD21C050002)the Starry Night Science Fund at Shanghai Institute for Advanced Study of Zhejiang University(SN-ZJU-SIAS-009)the Beijing Advanced Innovation Center for Structural Biology,Shenzhen Basic Research Project(JCYJ20180507181642811)Research Grants Council of the Hong Kong SAR,China Projects(City U 11100421,City U 11101519,City U 11100218,N_City U110/17)Croucher Foundation Project(9509003)State Key Laboratory of Marine Pollution Director Discretionary Fund,City University of Hong Kong Projects(7005503,9667222,9680261)the United Kingdom Biotechnology and Biological Sciences Research Council(BBSRC:BBS/E/J/000PR9788)。
文摘RNA structures are essential to support RNA functions and regulation in various biological processes. Recently, a range of novel technologies have been developed to decode genome-wide RNA structures and novel modes of functionality across a wide range of species. In this review, we summarize key strategies for probing the RNA structurome and discuss the pros and cons of representative technologies. In particular, these new technologies have been applied to dissect the structural landscape of the SARS-CoV-2 RNA genome. We also summarize the functionalities of RNA structures discovered in different regulatory layers-including RNA processing, transport, localization, and mRNA translation-across viruses, bacteria, animals, and plants. We review many versatile RNA structural elements in the context of different physiological and pathological processes(e.g., cell differentiation, stress response, and viral replication). Finally, we discuss future prospects for RNA structural studies to map the RNA structurome at higher resolution and at the single-molecule and single-cell level, and to decipher novel modes of RNA structures and functions for innovative applications.
基金supported by National Natural Science Foundation of China (No.21905195)Natural Science Foundation of Tianjin City (No.20JCYBJC00800)PEIYANG Young Scholars Program of Tianjin University (No.2020XRX-0023)。
文摘As emerging two-dimensional materials, metal-organic framework(MOF) nanosheet composites possess many unique physical and chemical properties, thus being expected to be widely applied in gas separation and adsorption, energy conversion and storage, heterogeneous catalysis, sensing as well as biomedicine. In this review, we first introduce the methods for integrating MOF nanosheets with other materials to prepare multifunctional composites. Next, the applications of MOF nanosheet composites in versatile fields are summarized and discussed. We hope this review will be instructive for researchers in the aspects of designs, preparations and applications of MOF nanosheet composites.
基金This work was supported by the National Natural Science Foundation of China(Nos.21905195 and 22103055)the Natural Science Foundation of Tianjin City(No.20JCYBJC00800)PEIYANG Young Scholars Program of Tianjin University(No.2020XRX-0023).
文摘In the past decades,metal-organic frameworks(MOFs)and covalent organic frameworks(COFs)basically enjoy the coordination chemistry and covalent chemistry,respectively,and such uniqueness has become the major obstacle hampering their further scope diversity and application multi-functionalization.Inspired from the principle of organic retrosynthesis,combining coordination bond and covalent bond together offers additional opportunities for constructing novel MOFs,COFs and MOF@COF hybrids as well as confer on them superior performances in versatile application fields.In this review,we firstly classify and summarize the recently reported synthesis strategies based on the integration of metal-ligand coordination and dynamic covalent bonds.Then,the application performances of as-constructed MOFs,COFs as well as MOF@COF hybrids are discussed and highlighted in the fields of adsorption,separation,catalysis,biosensing,energy storage and so on.Last,our personal insights of the remaining challenges and further prospects are also provided,in order to trigger much more inspirations and endeavors for this hot research field.
基金supports from National Basic Research Program of China (2011CB808700 and 2011CB932300)National Natural Science Foundation of China (21121063,91023013)
文摘We have fabricated hybrid molecular chain structures formed by electron acceptor compound 1 and electron donor molecules 2 and 3 at the liquid/solid interface of graphite surface.The structural details of the mono-component and the binary assemblies are revealed by high resolution scanning tunneling microscopy (STM).Compound 1 can form two well-ordered lamellar patterns at different concentrations.In the co-adsorption structures,compounds 2 and 3 can insert into the space between molecular chains of compound 1 and form large area well-ordered nanoscale phase separated lamellar structures.The unit cell parameters for the coassemblies can be "flexibly" adjusted to make the electron donors and acceptors perfectly match along the molecular chains.Scanning tunneling spectroscopy (STS) results indicate that the electronic properties of individual molecular donors and acceptors are preserved in the binary self-assembly.These results provide molecular insight into the nanoscale phase separation of organic electron acceptors and donors on surfaces and are helpful for the fabrication of surface supramolecular structures and molecular devices.