Allium senescens,is an important economic and ecological grassland plant with drought-resistant characteristics.A TCP protein transcription factor is important in the regulation of plant development and adverse respon...Allium senescens,is an important economic and ecological grassland plant with drought-resistant characteristics.A TCP protein transcription factor is important in the regulation of plant development and adverse responses.However,the mechanism by which TCP transcription functions in drought resistance in Allium senescens is still not clear.Here,we obtained a total of 190,305 transcripts with 115,562 single gene clusters based on RNA-Seq sequencing of Allium senescens under drought stress.The total number of bases was 97,195,096 bp,and the average length was 841.06 bp.Furthermore,we found that there were eight genes of the TCP family that showed an upregulated expression trend under drought stress in Allium senescens.We carried out an investigation to determine the evolution and function of the AsTCP family and how they produce an effect in drought resistance.The 14 AsTCP genes were confirmed and divided into class I and class II containing CIN and CYC/TBI subfamilies,respectively.We also found that the expression of AsTCP17 was remarkably upregulated with drought treatment.Besides,the transformation of AsTCP17 in Arabidopsis revealed that the protective enzymes,namely polyphenol oxidase(POD)and superoxide dismutase(SOD),were increased by 0.4 and 0.8 times,respectively.Chlorophyll content was also increased,while the H2O2 and malondialdehyde(MDA)contents were decreased.Staining assays with 3,3′-diaminobenzidine(DAB)also suggested that the AsTCP17 downregulates reactive oxygen species(ROS)accumulation.In addition,overexpression of the AsTCP17 affected the accumulation of drought-related hormones in plants,and the synthesis of ABA.The expression of AtSVP and AtNCED3,related ABA synthesis pathway genes,indicated that the level of expression of AtSVP and AtNCED3 was obviously enhanced,with the overexpression of line 6 showing a 20.6-fold and 7.0-fold increase,respectively.Taken together,our findings systematically analyze the AsTCPs family at the transcriptome expression level in Allium senescens,and we also demonstrated that AsTCP17 protein,as a positive regulator,was involved in drought resistance of Allium senescens.In addition,our research contributes to the comprehensive understanding of the drought stress defense mechanism in herbaceous plants.展开更多
Negative logarithm of the acid dissociation constant(pK_(a))significantly influences the absorption,dis-tribution,metabolism,excretion,and toxicity(ADMET)properties of molecules and is a crucial indicator in drug rese...Negative logarithm of the acid dissociation constant(pK_(a))significantly influences the absorption,dis-tribution,metabolism,excretion,and toxicity(ADMET)properties of molecules and is a crucial indicator in drug research.Given the rapid and accurate characteristics of computational methods,their role in predicting drug properties is increasingly important.Although many pK_(a) prediction models currently exist,they often focus on enhancing model precision while neglecting interpretability.In this study,we present GraFpKa,a pK_(a) prediction model using graph neural networks(GNNs)and molecular finger-prints.The results show that our acidic and basic models achieved mean absolute errors(MAEs)of 0.621 and 0.402,respectively,on the test set,demonstrating good predictive performance.Notably,to improve interpretability,GraFpKa also incorporates Integrated Gradients(IGs),providing a clearer visual description of the atoms significantly affecting the pK_(a) values.The high reliability and interpretability of GraFpKa ensure accurate pKa predictions while also facilitating a deeper understanding of the relation-ship between molecular structure and pK_(a) values,making it a valuable tool in the field of pK_(a) prediction.展开更多
Accurate prediction of drug-target interactions(DTIs)plays a pivotal role in drug discovery,facilitating optimization of lead compounds,drug repurposing and elucidation of drug side effects.However,traditional DTI pre...Accurate prediction of drug-target interactions(DTIs)plays a pivotal role in drug discovery,facilitating optimization of lead compounds,drug repurposing and elucidation of drug side effects.However,traditional DTI prediction methods are often limited by incomplete biological data and insufficient representation of protein features.In this study,we proposed KG-CNNDTI,a novel knowledge graph-enhanced framework for DTI prediction,which integrates heterogeneous biological information to improve model generalizability and predictive performance.The proposed model utilized protein embeddings derived from a biomedical knowledge graph via the Node2Vec algorithm,which were further enriched with contextualized sequence representations obtained from ProteinBERT.For compound representation,multiple molecular fingerprint schemes alongside the Uni-Mol pre-trained model were evaluated.The fused representations served as inputs to both classical machine learning models and a convolutional neural network-based predictor.Experimental evaluations across benchmark datasets demonstrated that KG-CNNDTI achieved superior performance compared to state-of-the-art methods,particularly in terms of Precision,Recall,F1-Score and area under the precision-recall curve(AUPR).Ablation analysis highlighted the substantial contribution of knowledge graph-derived features.Moreover,KG-CNNDTI was employed for virtual screening of natural products against Alzheimer's disease,resulting in 40 candidate compounds.5 were supported by literature evidence,among which 3 were further validated in vitro assays.展开更多
Activity cliffs(ACs)are generally defined as pairs of similar compounds that only differ by a minor structural modification but exhibit a large difference in their binding affinity for a given target.ACs offer crucial...Activity cliffs(ACs)are generally defined as pairs of similar compounds that only differ by a minor structural modification but exhibit a large difference in their binding affinity for a given target.ACs offer crucial insights that aid medicinal chemists in optimizing molecular structures.Nonetheless,they also form a major source of prediction error in structure-activity relationship(SAR)models.To date,several studies have demonstrated that deep neural networks based on molecular images or graphs might need to be improved further in predicting the potency of ACs.In this paper,we integrated the triplet loss in face recognition with pre-training strategy to develop a prediction model ACtriplet,tailored for ACs.Through extensive comparison with multiple baseline models on 30 benchmark datasets,the results showed that ACtriplet was significantly better than those deep learning(DL)models without pretraining.In addition,we explored the effect of pre-training on data representation.Finally,the case study demonstrated that our model's interpretability module could explain the prediction results reasonably.In the dilemma that the amount of data could not be increased rapidly,this innovative framework would better make use of the existing data,which would propel the potential of DL in the early stage of drug discovery and optimization.展开更多
Ni-rich cathode materials have become the mainstream choice in the mileage electric vehicle sector due to their high specific capacity and safety factor.However,the volume changes occurring during charging and dischar...Ni-rich cathode materials have become the mainstream choice in the mileage electric vehicle sector due to their high specific capacity and safety factor.However,the volume changes occurring during charging and discharging lead to microcracking and surface remodeling,posing challenges to achieving such as high specific capacity and long cycle stability.This paper reviews existing modification strategies for Ni-rich layered oxide cathode materials.Unlike previous reviews and related papers,we comprehensively discuss a variety of modification strategies and deeply discuss the synergistic modification effect of surface coating and bulk doping,which is how to improve the cycling stability of the Ni-rich cathode.In addition,based on recent research advances,the prospects and challenges of modifying Ni-rich layered cathodes for cycle stability upgrading of the lithium-ion battery,as well as the potential application prospects in the field of power automobiles,are comprehensively analyzed.展开更多
Built-in electric field coupled piezoelectric polarization engineering is a promising method to adjust and boost the catalytic performance of photocatalysts.Herein,BiOIO_(3)-Bi_(2)Te_(3) type-II heterojunction piezo-p...Built-in electric field coupled piezoelectric polarization engineering is a promising method to adjust and boost the catalytic performance of photocatalysts.Herein,BiOIO_(3)-Bi_(2)Te_(3) type-II heterojunction piezo-photocatalyst was proposed and prepared by a sequential hydro-solvothermal method.Due to the co-drive of the heterojunction and photothermal-piezoelectric polarization effect certified by piezoelectric force microscopy,COMSOL simulations,and infrared thermography,the photocatalytic degradation performance of the as-prepared BiOIO_(3)-Bi_(2)Te_(3) on rhodamine B was dramatically improved under the co-excitation of visible light and ultrasound compared with under the single light irradiation and the single ultrasonic conditions.Typically,the BiOIO_(3)-Bi_(2)Te_(3) photocatalyst always showed significantly better catalytic degradation performance than the pure Bi_(2)Te_(3),BiOIO_(3),and BiOIO_(3)/Bi_(2)Te_(3) mechanical mixtures.Impressively,based on the optimal conditions obtained by systematically studying the effects of temperatures,ultrasound intensities,and inorganic salts on the piezo-photocatalytic rhodamine B degradation,the optimum composite ratio BiOIO_(3)-Bi_(2)Te_(3)-20 piezo-photocatalyst can also effectively remove tetracycline and Cr(VI),and also achieve the purpose of simultaneously removing a mixture of these three pollutants with good recycling stability.Such enhanced catalytic performance was mainly attributed to the disruptions of the electrostatic equilibrium and saturation effects of the built-in electric field under successive ultrasonic and photoinduced co-disturbance,thus enhancing the driving force of separation and migration of photogenerated carriers as verified by electrochemical tests,energy band structure theory,and DFT calculations.Based on which and the sacrificial agent experiments,the photocatalytic degradation mechanism was proposed.This research showcased the significant potential for environmental remediation using solar energy and mechanical energy cooperatively.展开更多
Photothermal therapy(PTT)has presented its inherent application value in cancer treatment.Nevertheless,single-functional photothermal materials cannot meet the precise diagnosis and treatment of cance r.Therefo re,it ...Photothermal therapy(PTT)has presented its inherent application value in cancer treatment.Nevertheless,single-functional photothermal materials cannot meet the precise diagnosis and treatment of cance r.Therefo re,it is important to design a nanocomposite that has both high therapeutic efficiency and multimodal imaging capabilities.In our work,a new nanostructure of gold nanorods(AuNRs)with silver shells decorated by BaGdF5:Yb^(3+),Er^(3+)nanoparticle was synthesized by a simple way.The biostability of AuNRs is increased by coating with silver shells,and the AuNR@Ag nanoparticles can be used as excellent surface enhanced Raman scattering(SERS)probe.Moreover,the modification of BaGdF5:Yb^(3+),Er^(3+)nanoparticles provides the possibility of real-time optical imaging of the tumor area.Under the irradiation of NIR laser,the AuNR@Ag/BaGdF5:Yb^(3+),Er^(3+)nanocomposites(NCs)have strong upconversion emission and excellent photothermal conversion efficiency.Meanwhile,the NCs show low cytotoxicity and good biocompatibility in MTT cytotoxicity test.Moreover,the NCs are also exceptional contrast agents for CT imaging.For in vitro photothermal therapy test,NCs show excellent killing efficiency on tumor cells.Therefore,the multifaceted research of AuNR@Ag/BaGdF5:Yb^(3+),Er^(3+)multifunctional nanomaterials provides a break for high-efficiency tumor photothermal therapy and multimodal imaging.展开更多
Eu^(3+) ions were grafted onto the surface of electrospun polyacrylonitrile(PAN)nanofibers through coordination effect between C≡N groups on PAN nanofibers and Eu^(3+) ions,and benzoic acid(BA)was introduced as an as...Eu^(3+) ions were grafted onto the surface of electrospun polyacrylonitrile(PAN)nanofibers through coordination effect between C≡N groups on PAN nanofibers and Eu^(3+) ions,and benzoic acid(BA)was introduced as an assistant ligand.The impacts of concentrations of Eu^(3+) ions and BA,and reaction time on the properties of final products were investigated.The results reveal that Eu^(3+) ions can be successfully grafted onto PAN nanofibers,but the fluorescence intensity of the obtained PAN@Eu^(3+) nanofibers is very weak.After BA is introduced as the assistant ligand,the fluorescence intensity of the obtained PAN@(Eu^(3+)/BA)nanofibers is greatly stronger than that of PAN@Eu^(3+)nanofibers,and meanwhile,concentration quenching effect of Eu^(3+) ions can be effectively restrained.Furthermore,the superior structure of PAN@(Eu^(3+)/BA)nanofibers not only brings the effective utilization of precious elemental europium,but also guarantees high mechanical strength.展开更多
Inferring gene regulatory networks from large-scale expression data is an important topic in both cellular systems and computational biology. The inference of regulators might be the core factor for understanding actu...Inferring gene regulatory networks from large-scale expression data is an important topic in both cellular systems and computational biology. The inference of regulators might be the core factor for understanding actual regulatory conditions in gene regulatory networks, especially when strong regulators do work significantly. In this paper, we propose a novel approach based on combining neuro-fu^zy network models with biological knowledge to infer strong regulators and interrelated fuzzy rules. The hybrid neuro-fuzzy architecture can not only infer the fuzzy rules, which are suitable for describing the regulatory conditions in regulatory nctworks＋ but also explain the meaning of nodes and weight value in the neural network. It can get useful rules automatically without lhctitious judgments. At the same time, it does not add recursive layers to the model, and the model can also strengthen the relationships among genes and reduce calculation. We use the proposed approach to reconstruct a partial gene regulatory network of yeast, The results show that this approach can work effectively.展开更多
Solar steam generation is a promising water purification technology due to its low-cost and environmentally friendly applications in water purification and desalination.However,hydrophilic or hydrophobic materials alo...Solar steam generation is a promising water purification technology due to its low-cost and environmentally friendly applications in water purification and desalination.However,hydrophilic or hydrophobic materials alone are insufficient in achieving necessary characteristics for constructing highquality solar steam generators with good comprehensive properties.Herein,novel hydrophile/hydrophobe amphipathic Janus nanofibers aerogel is designed and used as a host material for preparing solar steam generators.The product consists of an internal cubic aerogel and an external layer of photothermal materials.The internal aerogel is composed of electrospun amphipathic Janus nanofibers.Owing to the unique composition and structure,the prepared solar steam generator integrates the features of high water evaporation rate(2.944 kg m^(-2)h^(-1)under 1 kW m^(-2)irradiation),selffloating,salt-resisting,and fast performance recovery after flipping.Moreover,the product also exhibits excellent properties on desalination and removal of organic pollutants.Compared with traditional hydrophilic aerogel host material,the amphipathic Janus nanofibers aerogel brings much higher water evaporation rate and salt resistance.展开更多
In the past decades,many materials have been studied as carriers for targeted drug delivery.However,there is a need for utilizable and selective carrier materials with few side effects.Here,the magnetic Ganoderma Luci...In the past decades,many materials have been studied as carriers for targeted drug delivery.However,there is a need for utilizable and selective carrier materials with few side effects.Here,the magnetic Ganoderma Lucidum Spores(mGLS)as a highly efficient targeted drug delivery carrier were explored.Then the regulatable targeted drug delivery system was verified by loading and releasing of the 5-Fluorouracil(5-FU).The results showed that the maximum of the loaded 5-FU reached 250.23 mg·g^(−1)in the mGLS.The cumulative release of the 5-FU for the drug delivery system could reach 80.11%and 67.14%in the PBS and HCl after 48 h,respectively.In addition,this system showed the good pharmacokinetic properties in vivo.After 12 h,the blood concentration in the 5-FU@mGLS group kept at 5.3µg·mL^(−1)and was four times higher than that in the 5-FU group.In summary,the GLS as a natural microscale core-shell structures appears the striking application in carrier material for oral drug delivery.展开更多
Nanocomposite membranes containing poly（m-phenylene isophthalamide）（PMIA） and organically modified montmorillonite（OMMT） were prepared by a combination of solution dispersion and wet-phase inversion methods, and...Nanocomposite membranes containing poly（m-phenylene isophthalamide）（PMIA） and organically modified montmorillonite（OMMT） were prepared by a combination of solution dispersion and wet-phase inversion methods, and the effects of OMMT addition on the properties and performance of fabricated nanofiltration membranes were investigated. The membranes were characterized by contact angle measurements, scanning electron microscopy（SEM）, atomic force microscopy（AFM）, thermogravimetric analysis, and zeta potential.The performance of the membranes was elucidated by the removal of perfluorooctane sulfonate（PFOS） at neutral p H. Increasing OMMT concentration improved the thermal stability and hydrophilicity of the membranes. The permeation and rejection of PFOS were significantly improved. The performance of fabricated nanofiltration membranes in removal of PFOS varied depending on the solute and membrane properties as well as solution conditions. Finally,a comparison between fabricated membranes and a commercial NF membrane（ESNA1-K1,Hydecanme） proved that the OMMT addition is a convenient procedure for producing nanocomposite membranes with superior properties and performance.展开更多
Along with the popularity of environmental protection concepts, the environmental treatment of water pollution attracts widespread attention, among which, the research on Bi-based semiconductor photocatalytic degradat...Along with the popularity of environmental protection concepts, the environmental treatment of water pollution attracts widespread attention, among which, the research on Bi-based semiconductor photocatalytic degradation technology has made great progress. However, the development of such bismuth-based composites still remains a challenging task due to difficult recovery and low catalytic efficiency. Herein, a novel CC/BiPO4</sub>/Bi2</sub>WO6</sub> composite was successfully synthesized through two-step hydrothermal method using activated flexible carbon cloth as a substrate. The results of the photocatalytic degradation experiments showed that the obtained CC/BiPO<sub>4</sub>/Bi<sub>2</sub>WO<sub>6</sub> composites can degrade 92.1% RhB in 60 min under UV-visible light irradiation, which was much higher than that of unloaded BiPO4</sub> (24.4%) and BiPO4</sub>/Bi2</sub>WO6</sub> (52.9%), exhibiting a better adsorption-photocatalytic degradation performance than BiPO4</sub> and BiPO4</sub>/Bi2</sub>WO6</sub>. Photoluminescence spectra indicated that the improved photocatalytic activity was due to the more effective inhibition of photogenerated carrier complexation. Furthermore, the radical capture experiments confirmed that h<sup>+</sup>, ·OH and O<sub>2</sub>-</sup> were the main active substances in the photocatalytic degradation process of RhB by the CC/BiPO4</sub>/Bi2</sub>WO6</sub> composites. More importantly, the prepared CC/BiPO4</sub>/Bi2</sub>WO6</sub> composite had a simple separation process and good recycling stability, and its photocatalytic degradation efficiency can still reach 53.3% after six cycles of RhB degradation. .展开更多
Herein, the K<sub>3</sub>MoO<sub>2</sub>F<sub>5</sub><sup>.</sup>2H<sub>2</sub>O:Mn<sup>4+</sup> phosphor was synthesized by using low toxic NH&l...Herein, the K<sub>3</sub>MoO<sub>2</sub>F<sub>5</sub><sup>.</sup>2H<sub>2</sub>O:Mn<sup>4+</sup> phosphor was synthesized by using low toxic NH<sub>4</sub>HF<sub>2</sub> and HCl instead of highly toxic HF. The K3</sub>MoO2</sub>F<sub>5</sub><sup>.</sup><sub></sub>2H2</sub>O:Mn4+</sup> phosphor has a blocky structure and exhibits sharp red emission at the range of 580 to 670 nm excited by the blue light at 470 nm. The fabricated WLED device at 20 mA current has low correlation color temperature (CCT = 3608 K) and high color rendering index (Ra = 90.1), which can significantly improve the electroluminescence performance of cold WLED devices. These results indicate that the K3</sub>MoO2</sub>F5</sub><sup>.</sup>2H2</sub>O:Mn4+</sup> phosphor has potential application value in warm WLED excited by blue light chip. .展开更多
Synthesis of valuable(Z)-1;2-dialkyl alkenes via cis-semihydrogenation of alkynes is often plagued by side reactions such as alkene isomerization and over-reduction.Here we report a catalyst-state induced color-change...Synthesis of valuable(Z)-1;2-dialkyl alkenes via cis-semihydrogenation of alkynes is often plagued by side reactions such as alkene isomerization and over-reduction.Here we report a catalyst-state induced color-change(CatSICC)strategy for precise detection of reaction endpoint of transfer hydrogenation(TH);enabling highly efficient and cis-selective semihydrogenation of dialkyl alkynes with EtOH as H-donor.A series of NHC carbene-containing pincer iridium complexes(PCC_(NHC))IrHX(X=Br or I)have been prepared and applied to the TH reaction.Monitoring the TH process reveals a vibrant color-change of the solution from purple to yellow-orange as a result of transition of the catalyst-state from(PCC_(NHC))Ir(alkyne)to(PCC_(NHC))IrHMe(CO);signifying the complete conversion of alkyne substrate.Quenching the reaction timely according to the color-change allows access to(Z)-1;2-dialkyl alkenes with very high efficiency;exquisite precision;and broad functional group tolerance.The reliability and practicability of this protocol is demonstrated by cis-semihydrogenation of complex polyfunctionalized bioactive molecules.Mechanistic studies establish that the propensity of(PCC_(NHC))Ir to undergo facile EtOH decarbonylation to form isomerization-inactive species(PCC_(NHC))IrHMe(CO)only when the semihydrogenation reaction is completed is important to stereo-and chemoselectivity control.展开更多
Polyolefins(POs,i.e.,polyethylenes,ethylene/α-olefin copolymers,and polypropylenes)are the most ubiquitous synthetic macromolecular materials in modern life.Their widespread use and low recovery rate after extensive ...Polyolefins(POs,i.e.,polyethylenes,ethylene/α-olefin copolymers,and polypropylenes)are the most ubiquitous synthetic macromolecular materials in modern life.Their widespread use and low recovery rate after extensive usage have caused significant resource waste and environmental concerns.Chemical recycling of POs provides an efficient approach to unravelling the polymer chain to various chemicals.However,conventional chemical recycling methods,including pyrolysis,hydrocracking,and oxidation,require high-energy input(typically>500℃)and/or the use of environmentally unfriendly chemicals,leading to complex product distribution.In this minireview,based on recent representative works,we summarize and highlight catalytic strategies addressing these issues in PO recycling from two perspectives:(1)employing advanced catalysts or technique designs to overcome the challenges in conventional chemical deconstruction approaches;and(2)developing novel tandem/cascade catalytic systems for highly selective PO upcycling under relatively mild conditions.We hope that this minireview will help researchers better understand the state of the art of PO chemical recycling and inspire more innovative and efficient ideas for this fast-developing field.展开更多
Main observation and conclusion Stereoselective isomerization of a-alkyl styrenes is accomplished using a new iron catalyst supported by phosphine-pyridine-oxazoline(PPO)ligand.The protocol provides an atom-efficient ...Main observation and conclusion Stereoselective isomerization of a-alkyl styrenes is accomplished using a new iron catalyst supported by phosphine-pyridine-oxazoline(PPO)ligand.The protocol provides an atom-efficient and operationally simple approach to trisubstituted alkenes in high yields with excellent regio-and stereoselectivities under mild conditions.The results of deuterium-labelling and radical trap experiments are consistent with an iron-hydride pathway involving reversible alkene insertion andβ-H elimination.展开更多
Increasing demand for polar functionalized polyolefins has motivated the development of new polymerization chemistry to introduce functional groups into polyolefins,which is industrially important but scientifically c...Increasing demand for polar functionalized polyolefins has motivated the development of new polymerization chemistry to introduce functional groups into polyolefins,which is industrially important but scientifically challenging.Coordination-insertion copolymerization of ethylene and polar comonomers offers a direct and economic way to synthesize functionalized polyethylenes and great achievements have been gained by employing catalytic systems based on transition metals and rare earth metals.Continuous efforts have been devoted to developing novel catalytic systems and strategies to introduce chemically diverse functionalities at specific positions,control over the microstructures and get high molecular weight functionalized polyethylenes with high activity and good enchainment capacity.This article summarizes some important advances in the past three years in this field,focusing on the studies using chemically diverse polar comonomers to afford functionalized polyethylenes with novel microstructures.展开更多
Regiodivergent 1,2-hydroboration of 1,3-dienes with pinacolborane has been accomplished by well-defined cobalt complexes of different bidentate ligands. The iminopyridine-cobalt system is selective for Markovnikov 1,2...Regiodivergent 1,2-hydroboration of 1,3-dienes with pinacolborane has been accomplished by well-defined cobalt complexes of different bidentate ligands. The iminopyridine-cobalt system is selective for Markovnikov 1,2-hydroboration to form allylboronates, while the FOXAP-cobalt(FOXAP=(S)-1-(diphenylphosphino)-2-[(S)-4-isopropyloxazolin-2-yl]ferrocene) catalyst effects the complementary anti-Markonikv 1,2-hydroboration to afford homoallyboronates with high regioselectivity.展开更多
A series of NCP-type pincer iridium complexes,(RNCCp)IrHCl(2a-2c)and(BQ-NCOP)IrHCl 3,have been studied for catalytic transfer alkane dehydrogenation.Complex 3 containing a rigid benzoquinoline backbone exhibits high a...A series of NCP-type pincer iridium complexes,(RNCCp)IrHCl(2a-2c)and(BQ-NCOP)IrHCl 3,have been studied for catalytic transfer alkane dehydrogenation.Complex 3 containing a rigid benzoquinoline backbone exhibits high activity and robustness in dehydrogenation of alkanes to form alkenes.Even more importantly,this catalyst system was also highly effective in the dehydrogenation of a wide range of heterocycles to furnish heteroarenes.展开更多
基金supported by the Hebei Grass Industry Innovation Team of the Modern Agricultural Industry Technology System(HBCT2018050204).
文摘Allium senescens,is an important economic and ecological grassland plant with drought-resistant characteristics.A TCP protein transcription factor is important in the regulation of plant development and adverse responses.However,the mechanism by which TCP transcription functions in drought resistance in Allium senescens is still not clear.Here,we obtained a total of 190,305 transcripts with 115,562 single gene clusters based on RNA-Seq sequencing of Allium senescens under drought stress.The total number of bases was 97,195,096 bp,and the average length was 841.06 bp.Furthermore,we found that there were eight genes of the TCP family that showed an upregulated expression trend under drought stress in Allium senescens.We carried out an investigation to determine the evolution and function of the AsTCP family and how they produce an effect in drought resistance.The 14 AsTCP genes were confirmed and divided into class I and class II containing CIN and CYC/TBI subfamilies,respectively.We also found that the expression of AsTCP17 was remarkably upregulated with drought treatment.Besides,the transformation of AsTCP17 in Arabidopsis revealed that the protective enzymes,namely polyphenol oxidase(POD)and superoxide dismutase(SOD),were increased by 0.4 and 0.8 times,respectively.Chlorophyll content was also increased,while the H2O2 and malondialdehyde(MDA)contents were decreased.Staining assays with 3,3′-diaminobenzidine(DAB)also suggested that the AsTCP17 downregulates reactive oxygen species(ROS)accumulation.In addition,overexpression of the AsTCP17 affected the accumulation of drought-related hormones in plants,and the synthesis of ABA.The expression of AtSVP and AtNCED3,related ABA synthesis pathway genes,indicated that the level of expression of AtSVP and AtNCED3 was obviously enhanced,with the overexpression of line 6 showing a 20.6-fold and 7.0-fold increase,respectively.Taken together,our findings systematically analyze the AsTCPs family at the transcriptome expression level in Allium senescens,and we also demonstrated that AsTCP17 protein,as a positive regulator,was involved in drought resistance of Allium senescens.In addition,our research contributes to the comprehensive understanding of the drought stress defense mechanism in herbaceous plants.
基金upported by the National Key Research and Development Program of China(Grant No.:2023YFF1204904)the National Natural Science Foundation of China(Grant Nos.:U23A20530 and 82173746)Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism(Shanghai Municipal Education Commission,China).
文摘Negative logarithm of the acid dissociation constant(pK_(a))significantly influences the absorption,dis-tribution,metabolism,excretion,and toxicity(ADMET)properties of molecules and is a crucial indicator in drug research.Given the rapid and accurate characteristics of computational methods,their role in predicting drug properties is increasingly important.Although many pK_(a) prediction models currently exist,they often focus on enhancing model precision while neglecting interpretability.In this study,we present GraFpKa,a pK_(a) prediction model using graph neural networks(GNNs)and molecular finger-prints.The results show that our acidic and basic models achieved mean absolute errors(MAEs)of 0.621 and 0.402,respectively,on the test set,demonstrating good predictive performance.Notably,to improve interpretability,GraFpKa also incorporates Integrated Gradients(IGs),providing a clearer visual description of the atoms significantly affecting the pK_(a) values.The high reliability and interpretability of GraFpKa ensure accurate pKa predictions while also facilitating a deeper understanding of the relation-ship between molecular structure and pK_(a) values,making it a valuable tool in the field of pK_(a) prediction.
基金supported by the National Natural Science Foundation of China(Nos.82173746 and U23A20530)Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism(Shanghai Municipal Education Commission)。
文摘Accurate prediction of drug-target interactions(DTIs)plays a pivotal role in drug discovery,facilitating optimization of lead compounds,drug repurposing and elucidation of drug side effects.However,traditional DTI prediction methods are often limited by incomplete biological data and insufficient representation of protein features.In this study,we proposed KG-CNNDTI,a novel knowledge graph-enhanced framework for DTI prediction,which integrates heterogeneous biological information to improve model generalizability and predictive performance.The proposed model utilized protein embeddings derived from a biomedical knowledge graph via the Node2Vec algorithm,which were further enriched with contextualized sequence representations obtained from ProteinBERT.For compound representation,multiple molecular fingerprint schemes alongside the Uni-Mol pre-trained model were evaluated.The fused representations served as inputs to both classical machine learning models and a convolutional neural network-based predictor.Experimental evaluations across benchmark datasets demonstrated that KG-CNNDTI achieved superior performance compared to state-of-the-art methods,particularly in terms of Precision,Recall,F1-Score and area under the precision-recall curve(AUPR).Ablation analysis highlighted the substantial contribution of knowledge graph-derived features.Moreover,KG-CNNDTI was employed for virtual screening of natural products against Alzheimer's disease,resulting in 40 candidate compounds.5 were supported by literature evidence,among which 3 were further validated in vitro assays.
基金supported by the National Natural Science Foundation of China(Grant Nos.:U23A20530,82273858,and 82173746)the National Key Research and Development Programof China(Grant No.:2023YFF1204904)Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism(Shanghai Municipal Education Commission,China).
文摘Activity cliffs(ACs)are generally defined as pairs of similar compounds that only differ by a minor structural modification but exhibit a large difference in their binding affinity for a given target.ACs offer crucial insights that aid medicinal chemists in optimizing molecular structures.Nonetheless,they also form a major source of prediction error in structure-activity relationship(SAR)models.To date,several studies have demonstrated that deep neural networks based on molecular images or graphs might need to be improved further in predicting the potency of ACs.In this paper,we integrated the triplet loss in face recognition with pre-training strategy to develop a prediction model ACtriplet,tailored for ACs.Through extensive comparison with multiple baseline models on 30 benchmark datasets,the results showed that ACtriplet was significantly better than those deep learning(DL)models without pretraining.In addition,we explored the effect of pre-training on data representation.Finally,the case study demonstrated that our model's interpretability module could explain the prediction results reasonably.In the dilemma that the amount of data could not be increased rapidly,this innovative framework would better make use of the existing data,which would propel the potential of DL in the early stage of drug discovery and optimization.
基金supported by the Science and Technology Research Project of Changchun City(24GXYSZZ01)the Natural Science Foundation of Jilin Province(NO.20220101036JC)。
文摘Ni-rich cathode materials have become the mainstream choice in the mileage electric vehicle sector due to their high specific capacity and safety factor.However,the volume changes occurring during charging and discharging lead to microcracking and surface remodeling,posing challenges to achieving such as high specific capacity and long cycle stability.This paper reviews existing modification strategies for Ni-rich layered oxide cathode materials.Unlike previous reviews and related papers,we comprehensively discuss a variety of modification strategies and deeply discuss the synergistic modification effect of surface coating and bulk doping,which is how to improve the cycling stability of the Ni-rich cathode.In addition,based on recent research advances,the prospects and challenges of modifying Ni-rich layered cathodes for cycle stability upgrading of the lithium-ion battery,as well as the potential application prospects in the field of power automobiles,are comprehensively analyzed.
基金funded by the Natural Science Foundation of Jilin Province of China(No.20240101075JC)Henan Province Science and Technology programs(No.242102230096)+3 种基金the National Natural Science Foundation of China(52372174)the Science and Technology Research key Project of the Education Department of Henan Province(No.24A430049)the Carbon Neutrality Research Institute Fund(CNIF20230204)the Special Project of Strategic Cooperation between China National Petroleum Corporation and China University of Petroleum(Beijing)(ZLZX-2020-04).
文摘Built-in electric field coupled piezoelectric polarization engineering is a promising method to adjust and boost the catalytic performance of photocatalysts.Herein,BiOIO_(3)-Bi_(2)Te_(3) type-II heterojunction piezo-photocatalyst was proposed and prepared by a sequential hydro-solvothermal method.Due to the co-drive of the heterojunction and photothermal-piezoelectric polarization effect certified by piezoelectric force microscopy,COMSOL simulations,and infrared thermography,the photocatalytic degradation performance of the as-prepared BiOIO_(3)-Bi_(2)Te_(3) on rhodamine B was dramatically improved under the co-excitation of visible light and ultrasound compared with under the single light irradiation and the single ultrasonic conditions.Typically,the BiOIO_(3)-Bi_(2)Te_(3) photocatalyst always showed significantly better catalytic degradation performance than the pure Bi_(2)Te_(3),BiOIO_(3),and BiOIO_(3)/Bi_(2)Te_(3) mechanical mixtures.Impressively,based on the optimal conditions obtained by systematically studying the effects of temperatures,ultrasound intensities,and inorganic salts on the piezo-photocatalytic rhodamine B degradation,the optimum composite ratio BiOIO_(3)-Bi_(2)Te_(3)-20 piezo-photocatalyst can also effectively remove tetracycline and Cr(VI),and also achieve the purpose of simultaneously removing a mixture of these three pollutants with good recycling stability.Such enhanced catalytic performance was mainly attributed to the disruptions of the electrostatic equilibrium and saturation effects of the built-in electric field under successive ultrasonic and photoinduced co-disturbance,thus enhancing the driving force of separation and migration of photogenerated carriers as verified by electrochemical tests,energy band structure theory,and DFT calculations.Based on which and the sacrificial agent experiments,the photocatalytic degradation mechanism was proposed.This research showcased the significant potential for environmental remediation using solar energy and mechanical energy cooperatively.
基金Project supported by National key R&D Program of China(2019YFA0705204)National Natural Science Foundation of China(51072026,51573023,51802027)。
文摘Photothermal therapy(PTT)has presented its inherent application value in cancer treatment.Nevertheless,single-functional photothermal materials cannot meet the precise diagnosis and treatment of cance r.Therefo re,it is important to design a nanocomposite that has both high therapeutic efficiency and multimodal imaging capabilities.In our work,a new nanostructure of gold nanorods(AuNRs)with silver shells decorated by BaGdF5:Yb^(3+),Er^(3+)nanoparticle was synthesized by a simple way.The biostability of AuNRs is increased by coating with silver shells,and the AuNR@Ag nanoparticles can be used as excellent surface enhanced Raman scattering(SERS)probe.Moreover,the modification of BaGdF5:Yb^(3+),Er^(3+)nanoparticles provides the possibility of real-time optical imaging of the tumor area.Under the irradiation of NIR laser,the AuNR@Ag/BaGdF5:Yb^(3+),Er^(3+)nanocomposites(NCs)have strong upconversion emission and excellent photothermal conversion efficiency.Meanwhile,the NCs show low cytotoxicity and good biocompatibility in MTT cytotoxicity test.Moreover,the NCs are also exceptional contrast agents for CT imaging.For in vitro photothermal therapy test,NCs show excellent killing efficiency on tumor cells.Therefore,the multifaceted research of AuNR@Ag/BaGdF5:Yb^(3+),Er^(3+)multifunctional nanomaterials provides a break for high-efficiency tumor photothermal therapy and multimodal imaging.
基金Project supported by the National Natural Science Foundation of China(51573023,51803012)。
文摘Eu^(3+) ions were grafted onto the surface of electrospun polyacrylonitrile(PAN)nanofibers through coordination effect between C≡N groups on PAN nanofibers and Eu^(3+) ions,and benzoic acid(BA)was introduced as an assistant ligand.The impacts of concentrations of Eu^(3+) ions and BA,and reaction time on the properties of final products were investigated.The results reveal that Eu^(3+) ions can be successfully grafted onto PAN nanofibers,but the fluorescence intensity of the obtained PAN@Eu^(3+) nanofibers is very weak.After BA is introduced as the assistant ligand,the fluorescence intensity of the obtained PAN@(Eu^(3+)/BA)nanofibers is greatly stronger than that of PAN@Eu^(3+)nanofibers,and meanwhile,concentration quenching effect of Eu^(3+) ions can be effectively restrained.Furthermore,the superior structure of PAN@(Eu^(3+)/BA)nanofibers not only brings the effective utilization of precious elemental europium,but also guarantees high mechanical strength.
基金Acknowledgement This paper is supported by National Natural Science Foundation of China （Grant No. 60973092 and No. 60873146）, the National High Technology Research and Development Program of China （Grant No.2009 AA02Z307）, the ＂211 Project＂ of Jilin University, the Key Laboratory for Symbol Computation and Knowledge Engineering （Ministry of Education, China）, and the Key Laboratory for New Technology of Biological Recognition of Jilin Province （No. 20082209）.
文摘Inferring gene regulatory networks from large-scale expression data is an important topic in both cellular systems and computational biology. The inference of regulators might be the core factor for understanding actual regulatory conditions in gene regulatory networks, especially when strong regulators do work significantly. In this paper, we propose a novel approach based on combining neuro-fu^zy network models with biological knowledge to infer strong regulators and interrelated fuzzy rules. The hybrid neuro-fuzzy architecture can not only infer the fuzzy rules, which are suitable for describing the regulatory conditions in regulatory nctworks＋ but also explain the meaning of nodes and weight value in the neural network. It can get useful rules automatically without lhctitious judgments. At the same time, it does not add recursive layers to the model, and the model can also strengthen the relationships among genes and reduce calculation. We use the proposed approach to reconstruct a partial gene regulatory network of yeast, The results show that this approach can work effectively.
基金financially supported by Natural Science Foundation of Chongqing,China(cstc2021jcyj-msxm X0898)Natural Science Foundation of Jilin Province(20210101080JC)National Natural Science Foundation of China(51803012,51573023)
文摘Solar steam generation is a promising water purification technology due to its low-cost and environmentally friendly applications in water purification and desalination.However,hydrophilic or hydrophobic materials alone are insufficient in achieving necessary characteristics for constructing highquality solar steam generators with good comprehensive properties.Herein,novel hydrophile/hydrophobe amphipathic Janus nanofibers aerogel is designed and used as a host material for preparing solar steam generators.The product consists of an internal cubic aerogel and an external layer of photothermal materials.The internal aerogel is composed of electrospun amphipathic Janus nanofibers.Owing to the unique composition and structure,the prepared solar steam generator integrates the features of high water evaporation rate(2.944 kg m^(-2)h^(-1)under 1 kW m^(-2)irradiation),selffloating,salt-resisting,and fast performance recovery after flipping.Moreover,the product also exhibits excellent properties on desalination and removal of organic pollutants.Compared with traditional hydrophilic aerogel host material,the amphipathic Janus nanofibers aerogel brings much higher water evaporation rate and salt resistance.
基金This work was supported by National Key R&D Program of China(No.2018YFB1105400)Jilin Provincial Science and Technology Program(Nos.20190702002GH,2020C022-1,and YDZJ202102CXJD 007)Programme of Introducing Talents of Discipline to Universities(D17017).
文摘In the past decades,many materials have been studied as carriers for targeted drug delivery.However,there is a need for utilizable and selective carrier materials with few side effects.Here,the magnetic Ganoderma Lucidum Spores(mGLS)as a highly efficient targeted drug delivery carrier were explored.Then the regulatable targeted drug delivery system was verified by loading and releasing of the 5-Fluorouracil(5-FU).The results showed that the maximum of the loaded 5-FU reached 250.23 mg·g^(−1)in the mGLS.The cumulative release of the 5-FU for the drug delivery system could reach 80.11%and 67.14%in the PBS and HCl after 48 h,respectively.In addition,this system showed the good pharmacokinetic properties in vivo.After 12 h,the blood concentration in the 5-FU@mGLS group kept at 5.3µg·mL^(−1)and was four times higher than that in the 5-FU group.In summary,the GLS as a natural microscale core-shell structures appears the striking application in carrier material for oral drug delivery.
基金financially supported by the National Natural Science Foundation of China(Nos.21176245,21476248)the National Science and Technology Support Program of China(Nos.2012BAJ25B02,2012BAJ25B06)the special fund of the State Key Joint Laboratory of Environment Simulation and Pollution Control(No.12L02ESPC)
文摘Nanocomposite membranes containing poly（m-phenylene isophthalamide）（PMIA） and organically modified montmorillonite（OMMT） were prepared by a combination of solution dispersion and wet-phase inversion methods, and the effects of OMMT addition on the properties and performance of fabricated nanofiltration membranes were investigated. The membranes were characterized by contact angle measurements, scanning electron microscopy（SEM）, atomic force microscopy（AFM）, thermogravimetric analysis, and zeta potential.The performance of the membranes was elucidated by the removal of perfluorooctane sulfonate（PFOS） at neutral p H. Increasing OMMT concentration improved the thermal stability and hydrophilicity of the membranes. The permeation and rejection of PFOS were significantly improved. The performance of fabricated nanofiltration membranes in removal of PFOS varied depending on the solute and membrane properties as well as solution conditions. Finally,a comparison between fabricated membranes and a commercial NF membrane（ESNA1-K1,Hydecanme） proved that the OMMT addition is a convenient procedure for producing nanocomposite membranes with superior properties and performance.
文摘Along with the popularity of environmental protection concepts, the environmental treatment of water pollution attracts widespread attention, among which, the research on Bi-based semiconductor photocatalytic degradation technology has made great progress. However, the development of such bismuth-based composites still remains a challenging task due to difficult recovery and low catalytic efficiency. Herein, a novel CC/BiPO4</sub>/Bi2</sub>WO6</sub> composite was successfully synthesized through two-step hydrothermal method using activated flexible carbon cloth as a substrate. The results of the photocatalytic degradation experiments showed that the obtained CC/BiPO<sub>4</sub>/Bi<sub>2</sub>WO<sub>6</sub> composites can degrade 92.1% RhB in 60 min under UV-visible light irradiation, which was much higher than that of unloaded BiPO4</sub> (24.4%) and BiPO4</sub>/Bi2</sub>WO6</sub> (52.9%), exhibiting a better adsorption-photocatalytic degradation performance than BiPO4</sub> and BiPO4</sub>/Bi2</sub>WO6</sub>. Photoluminescence spectra indicated that the improved photocatalytic activity was due to the more effective inhibition of photogenerated carrier complexation. Furthermore, the radical capture experiments confirmed that h<sup>+</sup>, ·OH and O<sub>2</sub>-</sup> were the main active substances in the photocatalytic degradation process of RhB by the CC/BiPO4</sub>/Bi2</sub>WO6</sub> composites. More importantly, the prepared CC/BiPO4</sub>/Bi2</sub>WO6</sub> composite had a simple separation process and good recycling stability, and its photocatalytic degradation efficiency can still reach 53.3% after six cycles of RhB degradation. .
文摘Herein, the K<sub>3</sub>MoO<sub>2</sub>F<sub>5</sub><sup>.</sup>2H<sub>2</sub>O:Mn<sup>4+</sup> phosphor was synthesized by using low toxic NH<sub>4</sub>HF<sub>2</sub> and HCl instead of highly toxic HF. The K3</sub>MoO2</sub>F<sub>5</sub><sup>.</sup><sub></sub>2H2</sub>O:Mn4+</sup> phosphor has a blocky structure and exhibits sharp red emission at the range of 580 to 670 nm excited by the blue light at 470 nm. The fabricated WLED device at 20 mA current has low correlation color temperature (CCT = 3608 K) and high color rendering index (Ra = 90.1), which can significantly improve the electroluminescence performance of cold WLED devices. These results indicate that the K3</sub>MoO2</sub>F5</sub><sup>.</sup>2H2</sub>O:Mn4+</sup> phosphor has potential application value in warm WLED excited by blue light chip. .
基金supported by the National Key R&D Program of China(2021YFA1501700)the National Natural Science Foundation of China(22425012,22072178,22293013,21821002)+3 种基金the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB0610000)the CAS Project for Young Scientists in Basic Research(YSBR-094)the CAS Youth Interdisciplinary Team(JCTD-2021-11)Science and Technology Commission of Shanghai Municipality(23JC1404400).
文摘Synthesis of valuable(Z)-1;2-dialkyl alkenes via cis-semihydrogenation of alkynes is often plagued by side reactions such as alkene isomerization and over-reduction.Here we report a catalyst-state induced color-change(CatSICC)strategy for precise detection of reaction endpoint of transfer hydrogenation(TH);enabling highly efficient and cis-selective semihydrogenation of dialkyl alkynes with EtOH as H-donor.A series of NHC carbene-containing pincer iridium complexes(PCC_(NHC))IrHX(X=Br or I)have been prepared and applied to the TH reaction.Monitoring the TH process reveals a vibrant color-change of the solution from purple to yellow-orange as a result of transition of the catalyst-state from(PCC_(NHC))Ir(alkyne)to(PCC_(NHC))IrHMe(CO);signifying the complete conversion of alkyne substrate.Quenching the reaction timely according to the color-change allows access to(Z)-1;2-dialkyl alkenes with very high efficiency;exquisite precision;and broad functional group tolerance.The reliability and practicability of this protocol is demonstrated by cis-semihydrogenation of complex polyfunctionalized bioactive molecules.Mechanistic studies establish that the propensity of(PCC_(NHC))Ir to undergo facile EtOH decarbonylation to form isomerization-inactive species(PCC_(NHC))IrHMe(CO)only when the semihydrogenation reaction is completed is important to stereo-and chemoselectivity control.
基金support for this research by the National Key R&D Program of China(grant no.2021YFA1501700)the National Natural Science Foundation of China(grant nos.21825109,21821002,22072178,22293013,and 22272114)+1 种基金the CAS Youth Interdisciplinary Team(grant no.JCTD-2021-11)the Fundamental Research Funds from Sichuan University(grant no.2022SCUNL103)is gratefully acknowledged.
文摘Polyolefins(POs,i.e.,polyethylenes,ethylene/α-olefin copolymers,and polypropylenes)are the most ubiquitous synthetic macromolecular materials in modern life.Their widespread use and low recovery rate after extensive usage have caused significant resource waste and environmental concerns.Chemical recycling of POs provides an efficient approach to unravelling the polymer chain to various chemicals.However,conventional chemical recycling methods,including pyrolysis,hydrocracking,and oxidation,require high-energy input(typically>500℃)and/or the use of environmentally unfriendly chemicals,leading to complex product distribution.In this minireview,based on recent representative works,we summarize and highlight catalytic strategies addressing these issues in PO recycling from two perspectives:(1)employing advanced catalysts or technique designs to overcome the challenges in conventional chemical deconstruction approaches;and(2)developing novel tandem/cascade catalytic systems for highly selective PO upcycling under relatively mild conditions.We hope that this minireview will help researchers better understand the state of the art of PO chemical recycling and inspire more innovative and efficient ideas for this fast-developing field.
基金the National Natural Science Foundation of China(Nos.21825109,21821002,21732006)the National Basic Research Program of China(No.2016YFA0202900)+2 种基金the Strategic Priority Research Program of Chinese Academy of Sciences(No.XDB20000000)the Chinese Academy of Sciences Key Research Program of Frontier Sciences(No.QYZDB-SSW-SLH016)the K.C.Wong Education Foundation,and the Science and Technology Commission of Shanghai Municipality(No.17JC1401200)is gratefully acknowledged.
文摘Main observation and conclusion Stereoselective isomerization of a-alkyl styrenes is accomplished using a new iron catalyst supported by phosphine-pyridine-oxazoline(PPO)ligand.The protocol provides an atom-efficient and operationally simple approach to trisubstituted alkenes in high yields with excellent regio-and stereoselectivities under mild conditions.The results of deuterium-labelling and radical trap experiments are consistent with an iron-hydride pathway involving reversible alkene insertion andβ-H elimination.
基金This work was supported by the National Basic Research Program of China(No.2016YFA0202900)the National Natural Science Foundation of China(Nos.21825109,21821002,21572255,21732006)+2 种基金the Chinese Academy of Sciences Key Research Pro-gram of Frontier Sciences(No.QYZDB-SSW-SLH016)the Scienceand Technology Commission of Shanghai Municipality(No.17JC1401200)K.C.Wong Education Foundation,and the NingboMunicipal Bureau of Science and Technology(No.2019B10096).
文摘Increasing demand for polar functionalized polyolefins has motivated the development of new polymerization chemistry to introduce functional groups into polyolefins,which is industrially important but scientifically challenging.Coordination-insertion copolymerization of ethylene and polar comonomers offers a direct and economic way to synthesize functionalized polyethylenes and great achievements have been gained by employing catalytic systems based on transition metals and rare earth metals.Continuous efforts have been devoted to developing novel catalytic systems and strategies to introduce chemically diverse functionalities at specific positions,control over the microstructures and get high molecular weight functionalized polyethylenes with high activity and good enchainment capacity.This article summarizes some important advances in the past three years in this field,focusing on the studies using chemically diverse polar comonomers to afford functionalized polyethylenes with novel microstructures.
基金supported by the National Key R&D Program of China (2016YFA0202900, 2015CB856600)the National Natural Science Foundation of China (21825109, 21432011, 21572255, 21732006)+1 种基金Chinese Academy of Sciences (XDB20000000, QYZDB-SSWSLH016)Science and Technology Commission Shanghai Municipality (17JC1401200)
文摘Regiodivergent 1,2-hydroboration of 1,3-dienes with pinacolborane has been accomplished by well-defined cobalt complexes of different bidentate ligands. The iminopyridine-cobalt system is selective for Markovnikov 1,2-hydroboration to form allylboronates, while the FOXAP-cobalt(FOXAP=(S)-1-(diphenylphosphino)-2-[(S)-4-isopropyloxazolin-2-yl]ferrocene) catalyst effects the complementary anti-Markonikv 1,2-hydroboration to afford homoallyboronates with high regioselectivity.
基金This work was supported by the National Basic Research Program of China(No.2016YFA0202900)the National Natural Science Foundation of China(Nos.21825109,21821002,21572255,21732006)+1 种基金the Chinese Academy of Sciences Key Research Pro-gram of Frontier Sciences(No.QYZDB-SSw-SLHO16)the Sci-ence and Technology Commission of Shanghai Municipality(No.17JC1401200).
文摘A series of NCP-type pincer iridium complexes,(RNCCp)IrHCl(2a-2c)and(BQ-NCOP)IrHCl 3,have been studied for catalytic transfer alkane dehydrogenation.Complex 3 containing a rigid benzoquinoline backbone exhibits high activity and robustness in dehydrogenation of alkanes to form alkenes.Even more importantly,this catalyst system was also highly effective in the dehydrogenation of a wide range of heterocycles to furnish heteroarenes.
