The Baoshan Cu-Pb-Zn polymetallic deposit is lied in the central Nanling mineralization zone,and belongs to the junction area of the Chenzhou-Linwu fault zone and the Leiyang-Linwu fault zone.It is a significant part ...The Baoshan Cu-Pb-Zn polymetallic deposit is lied in the central Nanling mineralization zone,and belongs to the junction area of the Chenzhou-Linwu fault zone and the Leiyang-Linwu fault zone.It is a significant part of Nanling polymetallic deposit belt.The outcropping stratas consist of upper Devonian Shetianqiao,Xikuangshan Formation,Lower Carboniferous Menggong’ao,Shidengzi,Ceshui,and Zimenqiao Formation.Igneous rocks in the Baoshan ore area mainly comprise granodiorite porphyry.Furthermore,the radio isotopic age ranges from 123 Ma to 183 Ma,belonging to the early to middle Yanshanian.展开更多
The Qifengcha-Detiangou gold deposit is a medium-sized deposit recently found in Huairou County, Beijing. It belongs to the altered mylonite type with superimposed quartz vein type and is related to the early Yanshani...The Qifengcha-Detiangou gold deposit is a medium-sized deposit recently found in Huairou County, Beijing. It belongs to the altered mylonite type with superimposed quartz vein type and is related to the early Yanshanian magmatic activity. Characterized by multiperiodic activity, the NE-trending Qifengcha fault is a regional ore-controlling structure in the area, and gold mineralization develops only in its southeastern part. Meanwhile, gold mineralization is controlled by the Yunmengshan metamorphic core complex. The nearly N-S- and E-W-trending low-angle detachment faults, reformed by the Qifengcha fault in the northwestern part of the core complex, are the main ore-bearing faults. All discovered gold deposits are located within an area 1.5–4.0 km away from the boundary of the upwelling centre. The N-S- (NNE-) and E-W-trending ore-bearing faults are ductile-brittle structural zones developing in shallow positions and subjected mainly to compressive deformation. The structural ore-controlling effects are as follows. (1) The attitude, shape, and distribution of gold orebodies are controlled by faults. (2) There is a negative correlation between the gold abundance and the magnetic anisotropy (P) of the altered mylonite samples from the deposit, which shows that the gold mineralization is later than the structural deformation. (3) Quartz vein type mineralization is superimposed on altered mylonite type mineralization. (4) In mineralized mylonite, the stronger the ductile shear deformation, the easier the late-stage gold mineralization to occur and the higher the gold abundance. The richest gold mineralization occurs only around the centre of the fault subjected to the strongest deformation.展开更多
Based on quantitative and semi-quantitative mathematical and mechanical analysis of the shape, motion, structural factors, stress field and deformation field of the ore-hosting faults in the Xincheng-Hexi gold deposit...Based on quantitative and semi-quantitative mathematical and mechanical analysis of the shape, motion, structural factors, stress field and deformation field of the ore-hosting faults in the Xincheng-Hexi gold deposit, the ore-controlling features of faults and mineralization mechanism are discussed. It is concluded that the mineralization is controlled by the main faults, subsidiary fractures, joint density, mechanical features and deformation of the faults. The ore bodies are mainly located in the lower part of the convex crest and upper part of the concave trough of the main undulating fault surface. Mineralization is positively correlated to the development of subsidiary fractures and joints, which correspond to zones of low internal stress and high body strain and shear strain. They are favourable positions for mineralization and alteration.展开更多
In recent2 0 years,because of the finding ofmany large- superlargegold deposits,we re- new the theories for prospecting and gain many things and conceptions.The current geo- chemical and gold- forming theories underli...In recent2 0 years,because of the finding ofmany large- superlargegold deposits,we re- new the theories for prospecting and gain many things and conceptions.The current geo- chemical and gold- forming theories underline the importance of the early submarine volcano- sedimentation,metamorphic differention,sedimentation of terrigenous clastics,thermal spring and it’s sedimentation,syngenesis process and other hypergene supplying the source for metallogenic materials.According to the study for source bed(rock) and depsitional for- mation of gold,we find that gold will be gradually enriched and mineralized in source bed (rock) ,because of variousgeologicprocesses,such as regional metamorphism ormigmatiza- tion,geothermal bittern,volcanism. The ore- control of deep and giant fault and ductile shear beltand tectono- flash space is emphasized,especially,we should notice the long- term, succession and multistage of the展开更多
The ductile shear zone-type gold deposit is a kind that both the ore-forming mechanism and ore-controlling factors are closely related to the ductile shear zone and its evolution. Ductile shear zone develops in Beisha...The ductile shear zone-type gold deposit is a kind that both the ore-forming mechanism and ore-controlling factors are closely related to the ductile shear zone and its evolution. Ductile shear zone develops in Beishan area, Gansu of Northwest China, and develops especially well in the south belt. The controls of the ductile shear zone on gold deposits are as follows. （1） The regional distribution of gold deposits （and gold spots） is controlled by the ductile shear zone. （2） The ductile-brittle shear zone is formed in the evolution process of ductile shear zone and both are only ore-bearing structures and control the shape, attitude, scale, and distribution of mineralization zones and ore-bodies. （3） Compresso-shear ductile deformation results in that the main kind of gold mineralization is altered mylonite type and the main alteralization is metasomatic. （4） Ore-bearing fracture systems are mainly P-type ones, some D-type and R-type ones, but only individual R＇-type and T-type ones. （5） Dynamic differen- tiation and dynamic metamorphic hydrothermal solution resulting from ductile deformation is one of the sources of ore-forming fluid of gold mineralization, and this is identical with that ore-forming materials are mainly from metamorphic rocks, and ore-forming fluid is mainly composed of metamorphic water, and with the fluid inclusion and geo-chemical characteristics of the deposit. （6） There is a negative correlation between the gold abundance and susceptibility anlsotropy （P） of the altered mylonlte samples from the deposit, which shows that the gold mineralization is slightly later than the structural deformation. All above further expound the ore-forming model of the ductile shear zone type of gold deposits.展开更多
Under the guidance of the theory of mantle-branch structure-associated metallogenesis and on the basis of the geological characteristics, analysis of the ore-forming and ore-controlling structures, the geochemical cha...Under the guidance of the theory of mantle-branch structure-associated metallogenesis and on the basis of the geological characteristics, analysis of the ore-forming and ore-controlling structures, the geochemical characteristics of metallogenesis, the source of ore-forming materials, changes in the physical and chemical conditions of metallogenesis, changes in the vertical width of ore veins, and changes in gold grade of the Shihu gold deposit, the mechanism of its metallogenesis was discussed and the rules of vertical variation of ore veins were summarized in this study. It is pointed out that the orebodies under exploitation at present time should be in the middle and upper portions of gold veins in the Shihu gold mining district. Particularly on the basis of the characteristics of mantle-branch structure-associated metallogenesis, it is indicated that metallogenesis is controlled mainly by such ore-forming conditions as temperature and pressure. Deep-seated ore-forming fluids are characterized mainly by injection and precipitation. So the vein bodies in the adjacent metallogenic structures are of obvious comparability, and there would be great prospects for ore search both at depth and in the periphery of the Shihu gold deposit. Therefore, ore prospecting should be strengthened both at depth and in the peripheries.展开更多
The Mujicun Cu (Mo) ore deposit at Laiyuan, Hebei Province, is a currently proven large-sized Cu (Mo) polymetallic ore deposit and it is located in the second-ordered fault depression basin of the ditachment belt on t...The Mujicun Cu (Mo) ore deposit at Laiyuan, Hebei Province, is a currently proven large-sized Cu (Mo) polymetallic ore deposit and it is located in the second-ordered fault depression basin of the ditachment belt on the hanging-wall on the western side at the juncture of the Laiyuan dumbell-shaped complex in the northern part of the Fuping mantle-branch structure. Metallogenesis is controlled by diorite porphyrite in intrusive relation with the fault depression basin and other relevant fault structure systems and intenstive wall-rock alteration zones. This study, in conjunction with the most recent exploration data, analyzed the geological background of metallogenesis of this deposit, summaried the geological characteristics of typical ore deposits, determined the alteration zonation of the deposit, investigated regional metallogenesis and the genesis of typical ore deposits, discussed the regional ore-forming and ore-controlling structures, and generalized the regional ore-controlling model and metallogenic model of the deposit. It is considered that the Mujicun porphry Cu (Mo) deposit, the Tieling, Futuyu, Xiaoligou and other skarn-type Fe-Cu deposits and the He'ergou hydrothermal-type Pb-Zn-Ag deposit jointly constitute a three-in-one polymetallic orefield, with the characteristics of typical metallogenic series.展开更多
Currently,the Al_(2)O_(3)content in the high-alumina slag systems within blast furnaces is generally limited to 16wt%–18.5wt%,making it challenging to overcome this limitation.Unlike most studies that concentrated on...Currently,the Al_(2)O_(3)content in the high-alumina slag systems within blast furnaces is generally limited to 16wt%–18.5wt%,making it challenging to overcome this limitation.Unlike most studies that concentrated on managing the MgO/Al_(2)O_(3)ratio or basicity,this paper explored the effect of equimolar substitution of MgO for CaO on the viscosity and structure of a high-alumina CaO-MgO-Al_(2)O_(3)-SiO_(2)slag system,providing theoretical guidance and data to facilitate the application of high-alumina ores.The results revealed that the viscosity first decreased and then increased with higher MgO substitution,reaching a minimum at 15mol%MgO concentration.Fourier transform infrared spectroscopy(FTIR)results found that the depths of the troughs representing[SiO_(4)]tetrahedra,[AlO_(4)]tetrahedra,and Si-O-Al bending became progressively deeper with increased MgO substitution.Deconvolution of the Raman spectra showed that the average number of bridging oxygens per Si atom and the X_(Q^(3))/X_(Q^(2))(X_(Q^(i))is the molar fraction of Q^(i) unit,and i is the number of bridging oxygens in a[SiO_(4)]tetrahedral unit)ratio increased from 2.30 and 1.02 to 2.52 and 2.14,respectively,indicating a progressive polymerization of the silicate structure.X-ray photoelectron spectroscopy(XPS)results highlighted that non-bridging oxygen content decreased from 77.97mol% to 63.41mol% with increasing MgO concentration,whereas bridging oxygen and free oxygen contents increased.Structural analysis demonstrated a gradual increase in the polymerization degree of the tetrahedral structure with the increase in MgO substitution.However,bond strength is another important factor affecting the slag viscosity.The occurrence of a viscosity minimum can be attributed to the complex evolution of bond strengths of non-bridging oxygens generated during depolymerization of the[SiO_(4)]and[AlO_(4)]tetrahedral structures by CaO and MgO.展开更多
The rapid development of 5G communication technology and smart electronic and electrical equipment will inevitably lead to electromagnetic radiation pollution.Enriching heterointerface polarization relaxation through ...The rapid development of 5G communication technology and smart electronic and electrical equipment will inevitably lead to electromagnetic radiation pollution.Enriching heterointerface polarization relaxation through nanostructure design and interface modifica-tion has proven to be an effective strategy to obtain efficient electromagnetic wave absorption.Here,this work implements an innovative method that combines biomimetic honeycomb superstructure to constrain hierarchical porous heterostructure composed of Co/CoO nano-particles to improve the interfacial polarization intensity.The method effectively controlled the absorption efficiency of Co^(2+)through de-lignification modification of bamboo,and combined with the bionic carbon-based natural hierarchical porous structure to achieve uniform dispersion of nanoparticles,which is conducive to the in-depth construction of heterogeneous interfaces.In addition,the multiphase struc-ture brought about by high-temperature pyrolysis provides the best dielectric loss and impedance matching for the material.Therefore,the obtained bamboo-based Co/CoO multiphase composite showed excellent electromagnetic wave absorption performance,achieving excel-lent reflection loss(RL)of-79 dB and effective absorption band width of 4.12 GHz(6.84-10.96 GHz)at low load of 15wt%.Among them,the material’s optimal radar cross-section(RCS)reduction value can reach 31.9 dB·m^(2).This work provides a new approach to the micro-control and comprehensive optimization of macro-design of microwave absorbers,and offers new ideas for the high-value utiliza-tion of biomass materials.展开更多
Point defect engineering endows catalysts with novel physical and chemical properties,elevating their electrocatalytic efficiency.The introduction of defects emerges as a promising strategy,effectively modifying the e...Point defect engineering endows catalysts with novel physical and chemical properties,elevating their electrocatalytic efficiency.The introduction of defects emerges as a promising strategy,effectively modifying the electronic structure of active sites.This optimization influences the adsorption energy of intermediates,thereby mitigating reaction energy barriers,altering paths,enhancing selectivity,and ultimately improving the catalytic efficiency of electrocatalysts.To elucidate the impact of defects on the electrocatalytic process,we comprehensively outline the roles of various point defects,their synthetic methodologies,and characterization techniques.Importantly,we consolidate insights into the relationship between point defects and catalytic activity for hydrogen/oxygen evolution and CO_(2)/O_(2)/N_(2) reduction reactions by integrating mechanisms from diverse reactions.This underscores the pivotal role of point defects in enhancing catalytic performance.At last,the principal challenges and prospects associated with point defects in current electrocatalysts are proposed,emphasizing their role in advancing the efficiency of electrochemical energy storage and conversion materials.展开更多
Recent progress in microwave absorption materials stimulates the extensive exploration of rare earth oxide materials.Herein,we report the synthesis of a hollow sphere-based carbon material compounded with rare earth o...Recent progress in microwave absorption materials stimulates the extensive exploration of rare earth oxide materials.Herein,we report the synthesis of a hollow sphere-based carbon material compounded with rare earth oxides.Hollow N-doped carbon nano-spheres loaded ceria composites(H-NC@CeO_(2))were designed and prepared by the template method,combined with in-situ coating,pyrolysis and chemical etching.By controlling the loading content of H-NC@CeO_(2)and adjusting the impedance matching of the material,the H-NC@CeO_(2)/PS(polystyrene)composite exhibited a minimum reflection loss(RL)of-50.8 dB and an effective absorption band-width(EAB)of 4.64 GHz at a filler ratio of 20wt%and a thickness of 2 mm.In accordance with measured electromagnetic parameters,simulations using the high frequency structure simulator(HFSS)software were conducted to investigate the impact of the honeycomb structure on the electromagnetic wave performance of H-NC@CeO_(2)/PS.By calculating the surface electric field and the material’s bulk loss density,the mechanism of electromagnetic loss for the honeycomb structure was elaborated.A method for structural design and man-ufacturing of broadband absorbing devices was proposed and a broadband absorber with an EAB of 11.9 GHz was prepared.This study presents an innovative approach to designing advanced electromagnetic(EM)wave absorbing materials with broad absorption band-widths.展开更多
Research efforts on electromagnetic interference(EMI)shielding materials have begun to converge on green and sustainable biomass materials.These materials offer numerous advantages such as being lightweight,porous,and...Research efforts on electromagnetic interference(EMI)shielding materials have begun to converge on green and sustainable biomass materials.These materials offer numerous advantages such as being lightweight,porous,and hierarchical.Due to their porous nature,interfacial compatibility,and electrical conductivity,biomass materials hold significant potential as EMI shielding materials.Despite concerted efforts on the EMI shielding of biomass materials have been reported,this research area is still relatively new compared to traditional EMI shielding materials.In particular,a more comprehensive study and summary of the factors influencing biomass EMI shielding materials including the pore structure adjustment,preparation process,and micro-control would be valuable.The preparation methods and characteristics of wood,bamboo,cellulose and lignin in EMI shielding field are critically discussed in this paper,and similar biomass EMI materials are summarized and analyzed.The composite methods and fillers of various biomass materials were reviewed.this paper also highlights the mechanism of EMI shielding as well as existing prospects and challenges for development trends in this field.展开更多
Layer-structured Ruddlesden–Popper(RP)perovskites(RPPs)with decent stability have captured the imagination of the photovoltaic research community and bring hope for boosting the development of perovskite solar cell(P...Layer-structured Ruddlesden–Popper(RP)perovskites(RPPs)with decent stability have captured the imagination of the photovoltaic research community and bring hope for boosting the development of perovskite solar cell(PSC)technology.However,two-dimensional(2D)or quasi-2D RP PSCs are encountered with some challenges of the large exciton binding energy,blocked charge transport and poor film quality,which restrict their photovoltaic performance.Fortunately,these issues can be readily resolved by rationally designing spacer cations of RPPs.This review mainly focuses on how to design the molecular structures of organic spacers and aims to endow RPPs with outstanding photovoltaic applications.We firstly elucidated the important roles of organic spacers in impacting crystallization kinetics,charge transporting ability and stability of RPPs.Then we brought three aspects to attention for designing organic spacers.Finally,we presented the specific molecular structure design strategies for organic spacers of RPPs aiming to improve photovoltaic performance of RP PSCs.These proposed strategies in this review will provide new avenues to develop novel organic spacers for RPPs and advance the development of RPP photovoltaic technology for future applications.展开更多
Hydrogel scaffolds have numerous potential applications in the tissue engineering field.However,tough hydrogel scaffolds implanted in vivo are seldom reported because it is difficult to balance biocompatibility and hi...Hydrogel scaffolds have numerous potential applications in the tissue engineering field.However,tough hydrogel scaffolds implanted in vivo are seldom reported because it is difficult to balance biocompatibility and high mechanical properties.Inspired by Chinese ramen,we propose a universal fabricating method(printing-P,training-T,cross-linking-C,PTC&PCT)for tough hydrogel scaffolds to fill this gap.First,3D printing fabricates a hydrogel scaffold with desired structures(P).Then,the scaffold could have extraordinarily high mechanical properties and functional surface structure by cycle mechanical training with salting-out assistance(T).Finally,the training results are fixed by photo-cross-linking processing(C).The tough gelatin hydrogel scaffolds exhibit excellent tensile strength of 6.66 MPa(622-fold untreated)and have excellent biocompatibility.Furthermore,this scaffold possesses functional surface structures from nanometer to micron to millimeter,which can efficiently induce directional cell growth.Interestingly,this strategy can produce bionic human tissue with mechanical properties of 10 kPa-10 MPa by changing the type of salt,and many hydrogels,such as gelatin and silk,could be improved with PTC or PCT strategies.Animal experiments show that this scaffold can effectively promote the new generation of muscle fibers,blood vessels,and nerves within 4 weeks,prompting the rapid regeneration of large-volume muscle loss injuries.展开更多
With vigorous developments in nanotechnology,the elaborate regulation of microstructure shows attractive potential in the design of electromagnetic wave absorbers.Herein,a hierarchical porous structure and composite h...With vigorous developments in nanotechnology,the elaborate regulation of microstructure shows attractive potential in the design of electromagnetic wave absorbers.Herein,a hierarchical porous structure and composite heterogeneous interface are constructed successfully to optimize the electromagnetic loss capacity.The macro–micro-synergistic graphene aerogel formed by the ice template‑assisted 3D printing strategy is cut by silicon carbide nanowires(SiC_(nws))grown in situ,while boron nitride(BN)interfacial structure is introduced on graphene nanoplates.The unique composite structure forces multiple scattering of incident EMWs,ensuring the combined effects of interfacial polarization,conduction networks,and magnetic-dielectric synergy.Therefore,the as-prepared composites present a minimum reflection loss value of−37.8 dB and a wide effective absorption bandwidth(EAB)of 9.2 GHz(from 8.8 to 18.0 GHz)at 2.5 mm.Besides,relying on the intrinsic high-temperature resistance of SiC_(nws) and BN,the EAB also remains above 5.0 GHz after annealing in air environment at 600℃ for 10 h.展开更多
The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La a...The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.展开更多
Two new Mn(Ⅱ)coordination polymers,namely{[Mn_(2)(HL)(phen)_(3)(H_(2)O)_(2)]·7.5H_(2)O}_n(1)and[Mn_(4)(HL)_(2)(1,4-bib)_(3)(H_(2)O)_(2)]_n(2),were synthesized under hydrothermal conditions by using Mn(Ⅱ)ions an...Two new Mn(Ⅱ)coordination polymers,namely{[Mn_(2)(HL)(phen)_(3)(H_(2)O)_(2)]·7.5H_(2)O}_n(1)and[Mn_(4)(HL)_(2)(1,4-bib)_(3)(H_(2)O)_(2)]_n(2),were synthesized under hydrothermal conditions by using Mn(Ⅱ)ions and 6-(3',4'-dicarboxylphenoxy)-1,2,4-benzenetricarboxylic acid(H_(5)L)in the presence of N-auxiliary ligands 1,10-phenanthroline(phen)and1,4-bis(1H-imidazol-1-yl)benzene(1,4-bib).The structures of coordination polymers 1 and 2 were characterized by infrared spectroscopy,single-crystal X-ray diffraction,thermogravimetric analysis,and powder X-ray diffraction.Single-crystal X-ray diffraction reveals that 1 has a 1D chain structure based on binuclear Mn(Ⅱ)units,while 2 features a(3,8)-connected 3D network structure based on tetranuclear Mn(Ⅱ)units.Magnetic studies show that 1 and 2exhibit antiferromagnetic interactions between manganese ions.2 shows stronger antiferromagnetic interactions due to the shorter Mn…Mn distances within the tetranuclear manganese units.CCDC:2357601,1;2357602,2.展开更多
To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bisp...To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bispyridylanthrahydrazone(9,10‑PAH)were designed and synthesized.Utilizing 9‑PAH and 9,10‑PAH as promising anticancer ligands,their respective copper complexes,namely[Cu(L1)Cl_(2)]Cl(1)and{[Cu_(4)(μ_(2)‑Cl)_(3)Cl_(4)(9,10‑PAH)_(2)(DMSO)_(2)]Cl_(2)}_(n)(2),were subsequently synthesized,where the new ligand L1 is formed by coupling two 9‑PAH ligands in the coordination reaction.The chemical and crystal structures of 1 and 2 were elucidated by IR,MS,elemental analysis,and single‑crystal X‑ray diffraction.Complex 1 forms a mononuclear structure.L1 coordinates with Cu through its three N atoms,together with two Cl atoms,to form a five‑coordinated square pyramidal geometry.Complex 2 constitutes a polymeric structure,wherein each structural unit centrosymmetrically encompasses two five‑coordinated binuclear copper complexes(Cu1,Cu2)of 9,10‑PAH,with similar square pyramidal geometry.A chlorine atom(Cl_(2)),located at the symmetry center,bridges Cu1 and Cu1A to connect the two binuclear copper structures.Meanwhile,the two five‑coordinated Cu2 atoms symmetrically bridge the adjacent structural units via one coordinated Cl atom,respectively,thus forming a 1D chain‑like polymeric structure.In vitro anticancer activity assessments revealed that 1 and 2 showed significant cytotoxicity even higher than cisplatin.Specifically,the IC_(50)values of 2 against HeLa‑229 and SK‑OV‑3 cancer cell lines were determined to be(5.92±0.32)μmol·L^(-1)and(6.48±0.39)μmol·L^(-1),respectively.2 could also block the proliferation of HeLa‑229 cells in S phase and significantly induce cell apoptosis.In addition,fluorescence quenching competition experiments suggested that 2 might interact with DNA by an intercalative binding mode,offering insights into its underlying anticancer mechanism.CCDC:2388918,1;2388919,2.展开更多
Five cadmium naphthalene-diphosphonates,formulated as[Cd_(1.5)(1,4-ndpaH_(2))2(4,4'-bpyH)(4,4'-bpy)0.5(H_(2)O)_(2)]2(1),[Cd(1,4-ndpaH_(2))(1,4-bib)0.5(H_(2)O)](2),[Cd(1,4-ndpaH3)2(1,2-dpe)(H_(2)O)]·(1,2-d...Five cadmium naphthalene-diphosphonates,formulated as[Cd_(1.5)(1,4-ndpaH_(2))2(4,4'-bpyH)(4,4'-bpy)0.5(H_(2)O)_(2)]2(1),[Cd(1,4-ndpaH_(2))(1,4-bib)0.5(H_(2)O)](2),[Cd(1,4-ndpaH3)2(1,2-dpe)(H_(2)O)]·(1,2-dpe)·7H_(2)O(3),(1,2-bixH)[Cd3(1,4-ndpaH)(1,4-ndpaH_(2))2(H_(2)O)_(2)](4),and[Cd(1,4-ndpaH_(2))(H_(2)O)]·H_(2)O(5),have been synthesized from the selfassembly reactions of 1,4-naphthalenediphosphonic acid(1,4-ndpaH4)with Cd(NO3)2·4H_(2)O by introducing auxiliary ligands with variation of rigidity,such as 4,4'-bipyridine(4,4'-bpy),1,4-bis(1-imidazolyl)benzene(1,4-bib),1,2-di(4-pyridyl)ethylene(1,2-dpe),1,3-di(4-pyridyl)propane(1,3-dpp),and bis(imidazol-1-ylmethyl)benzene(1,2-bix),respectively.Structure resolution by single-crystal X-ray diffraction reveals that compound 1 possesses a layered framework,in which the{Cd3(PO2)2}trimers made up of corner-sharing two{CdO4N2}and one{CdO6}octahedra are connected by phosphonate groups,forming a ribbon,which are cross-linked by 4,4'-bipy ligands,forming a 2D layer.Compound 2 shows a 3D open-framework structure,where chains of corner-sharing{CdO4N}trigonal bipyramids and{PO3C}tetrahedra are cross-linked by 1,4-bib and/or phosphonate groups.A 1D ladder-like chain structure is found in compound 3,where the ladder-like chains made up of corner-sharing{CdO5N}octahedra and{PO3C}tetra hedra are connected by 1,4-ndpaH_(2)^(2-).Both compounds 4 and 5 obtained by the introduction of flexible ligands during the synthesis show a 2D layered structure,which is formed by ligand crosslinking double metal chains.Interestingly,In 4,flexible 1,2-bix was singly protonated,as guest molecules,filled between layer and layer,while flexible ligand 1,3-dpp is absent in 5.Photophysical measurements indicate that compounds 1-5 show ligand-centered emissions.展开更多
γ-Secretase,called“the proteasome of the membrane,”is a membrane-embedded protease complex that cleaves 150+peptide substrates with central roles in biology and medicine,including amyloid precursor protein and the ...γ-Secretase,called“the proteasome of the membrane,”is a membrane-embedded protease complex that cleaves 150+peptide substrates with central roles in biology and medicine,including amyloid precursor protein and the Notch family of cell-surface receptors.Mutations inγ-secretase and amyloid precursor protein lead to early-onset familial Alzheimer’s disease.γ-Secretase has thus served as a critical drug target for treating familial Alzheimer’s disease and the more common late-onset Alzheimer’s disease as well.However,critical gaps remain in understanding the mechanisms of processive proteolysis of substrates,the effects of familial Alzheimer’s disease mutations,and allosteric modulation of substrate cleavage byγ-secretase.In this review,we focus on recent studies of structural dynamic mechanisms ofγ-secretase.Different mechanisms,including the“Fit-Stay-Trim,”“Sliding-Unwinding,”and“Tilting-Unwinding,”have been proposed for substrate proteolysis of amyloid precursor protein byγ-secretase based on all-atom molecular dynamics simulations.While an incorrect registry of the Notch1 substrate was identified in the cryo-electron microscopy structure of Notch1-boundγ-secretase,molecular dynamics simulations on a resolved model of Notch1-boundγ-secretase that was reconstructed using the amyloid precursor protein-boundγ-secretase as a template successfully capturedγ-secretase activation for proper cleavages of both wildtype and mutant Notch,being consistent with biochemical experimental findings.The approach could be potentially applied to decipher the processing mechanisms of various substrates byγ-secretase.In addition,controversy over the effects of familial Alzheimer’s disease mutations,particularly the issue of whether they stabilize or destabilizeγ-secretase-substrate complexes,is discussed.Finally,an outlook is provided for future studies ofγ-secretase,including pathways of substrate binding and product release,effects of modulators on familial Alzheimer’s disease mutations of theγ-secretase-substrate complexes.Comprehensive understanding of the functional mechanisms ofγ-secretase will greatly facilitate the rational design of effective drug molecules for treating familial Alzheimer’s disease and perhaps Alzheimer’s disease in general.展开更多
基金Supported by the Program of Superseding Resources Prospecting in Crisis Mines in China(20089927)
文摘The Baoshan Cu-Pb-Zn polymetallic deposit is lied in the central Nanling mineralization zone,and belongs to the junction area of the Chenzhou-Linwu fault zone and the Leiyang-Linwu fault zone.It is a significant part of Nanling polymetallic deposit belt.The outcropping stratas consist of upper Devonian Shetianqiao,Xikuangshan Formation,Lower Carboniferous Menggong’ao,Shidengzi,Ceshui,and Zimenqiao Formation.Igneous rocks in the Baoshan ore area mainly comprise granodiorite porphyry.Furthermore,the radio isotopic age ranges from 123 Ma to 183 Ma,belonging to the early to middle Yanshanian.
基金a partial result of the project“Characteristics and ore-searching indicators of the gold-bearing structure in the Qifengcha-Liulimiao area,Huairou,Beijing”,supported by the directional research fund of the former Ministry of Geology and Mineral Resources.
文摘The Qifengcha-Detiangou gold deposit is a medium-sized deposit recently found in Huairou County, Beijing. It belongs to the altered mylonite type with superimposed quartz vein type and is related to the early Yanshanian magmatic activity. Characterized by multiperiodic activity, the NE-trending Qifengcha fault is a regional ore-controlling structure in the area, and gold mineralization develops only in its southeastern part. Meanwhile, gold mineralization is controlled by the Yunmengshan metamorphic core complex. The nearly N-S- and E-W-trending low-angle detachment faults, reformed by the Qifengcha fault in the northwestern part of the core complex, are the main ore-bearing faults. All discovered gold deposits are located within an area 1.5–4.0 km away from the boundary of the upwelling centre. The N-S- (NNE-) and E-W-trending ore-bearing faults are ductile-brittle structural zones developing in shallow positions and subjected mainly to compressive deformation. The structural ore-controlling effects are as follows. (1) The attitude, shape, and distribution of gold orebodies are controlled by faults. (2) There is a negative correlation between the gold abundance and the magnetic anisotropy (P) of the altered mylonite samples from the deposit, which shows that the gold mineralization is later than the structural deformation. (3) Quartz vein type mineralization is superimposed on altered mylonite type mineralization. (4) In mineralized mylonite, the stronger the ductile shear deformation, the easier the late-stage gold mineralization to occur and the higher the gold abundance. The richest gold mineralization occurs only around the centre of the fault subjected to the strongest deformation.
文摘Based on quantitative and semi-quantitative mathematical and mechanical analysis of the shape, motion, structural factors, stress field and deformation field of the ore-hosting faults in the Xincheng-Hexi gold deposit, the ore-controlling features of faults and mineralization mechanism are discussed. It is concluded that the mineralization is controlled by the main faults, subsidiary fractures, joint density, mechanical features and deformation of the faults. The ore bodies are mainly located in the lower part of the convex crest and upper part of the concave trough of the main undulating fault surface. Mineralization is positively correlated to the development of subsidiary fractures and joints, which correspond to zones of low internal stress and high body strain and shear strain. They are favourable positions for mineralization and alteration.
文摘In recent2 0 years,because of the finding ofmany large- superlargegold deposits,we re- new the theories for prospecting and gain many things and conceptions.The current geo- chemical and gold- forming theories underline the importance of the early submarine volcano- sedimentation,metamorphic differention,sedimentation of terrigenous clastics,thermal spring and it’s sedimentation,syngenesis process and other hypergene supplying the source for metallogenic materials.According to the study for source bed(rock) and depsitional for- mation of gold,we find that gold will be gradually enriched and mineralized in source bed (rock) ,because of variousgeologicprocesses,such as regional metamorphism ormigmatiza- tion,geothermal bittern,volcanism. The ore- control of deep and giant fault and ductile shear beltand tectono- flash space is emphasized,especially,we should notice the long- term, succession and multistage of the
基金This paper is supported by the National 305 Program (Nos. 2001BA609A-07-02, 2006BAB07B02-04)Research Foundation of former Ministry of Geology and Mineral Re-sources of China (No.96-21)
文摘The ductile shear zone-type gold deposit is a kind that both the ore-forming mechanism and ore-controlling factors are closely related to the ductile shear zone and its evolution. Ductile shear zone develops in Beishan area, Gansu of Northwest China, and develops especially well in the south belt. The controls of the ductile shear zone on gold deposits are as follows. （1） The regional distribution of gold deposits （and gold spots） is controlled by the ductile shear zone. （2） The ductile-brittle shear zone is formed in the evolution process of ductile shear zone and both are only ore-bearing structures and control the shape, attitude, scale, and distribution of mineralization zones and ore-bodies. （3） Compresso-shear ductile deformation results in that the main kind of gold mineralization is altered mylonite type and the main alteralization is metasomatic. （4） Ore-bearing fracture systems are mainly P-type ones, some D-type and R-type ones, but only individual R＇-type and T-type ones. （5） Dynamic differen- tiation and dynamic metamorphic hydrothermal solution resulting from ductile deformation is one of the sources of ore-forming fluid of gold mineralization, and this is identical with that ore-forming materials are mainly from metamorphic rocks, and ore-forming fluid is mainly composed of metamorphic water, and with the fluid inclusion and geo-chemical characteristics of the deposit. （6） There is a negative correlation between the gold abundance and susceptibility anlsotropy （P） of the altered mylonlte samples from the deposit, which shows that the gold mineralization is slightly later than the structural deformation. All above further expound the ore-forming model of the ductile shear zone type of gold deposits.
基金This research project is financially granted jointly by the National Natural Science Foundation of China (Grant No 40872137)the Natural Science Foundation of Hebei Province (Grant Nos D2007000751, D2008000534)
文摘Under the guidance of the theory of mantle-branch structure-associated metallogenesis and on the basis of the geological characteristics, analysis of the ore-forming and ore-controlling structures, the geochemical characteristics of metallogenesis, the source of ore-forming materials, changes in the physical and chemical conditions of metallogenesis, changes in the vertical width of ore veins, and changes in gold grade of the Shihu gold deposit, the mechanism of its metallogenesis was discussed and the rules of vertical variation of ore veins were summarized in this study. It is pointed out that the orebodies under exploitation at present time should be in the middle and upper portions of gold veins in the Shihu gold mining district. Particularly on the basis of the characteristics of mantle-branch structure-associated metallogenesis, it is indicated that metallogenesis is controlled mainly by such ore-forming conditions as temperature and pressure. Deep-seated ore-forming fluids are characterized mainly by injection and precipitation. So the vein bodies in the adjacent metallogenic structures are of obvious comparability, and there would be great prospects for ore search both at depth and in the periphery of the Shihu gold deposit. Therefore, ore prospecting should be strengthened both at depth and in the peripheries.
基金the Crisis Mine Project (20109901, 20089948) of the National Natural Science Foundation of China (40872137)Scientific Base Research Program of China's Typical Metallic Ore Deposits (200911007)
文摘The Mujicun Cu (Mo) ore deposit at Laiyuan, Hebei Province, is a currently proven large-sized Cu (Mo) polymetallic ore deposit and it is located in the second-ordered fault depression basin of the ditachment belt on the hanging-wall on the western side at the juncture of the Laiyuan dumbell-shaped complex in the northern part of the Fuping mantle-branch structure. Metallogenesis is controlled by diorite porphyrite in intrusive relation with the fault depression basin and other relevant fault structure systems and intenstive wall-rock alteration zones. This study, in conjunction with the most recent exploration data, analyzed the geological background of metallogenesis of this deposit, summaried the geological characteristics of typical ore deposits, determined the alteration zonation of the deposit, investigated regional metallogenesis and the genesis of typical ore deposits, discussed the regional ore-forming and ore-controlling structures, and generalized the regional ore-controlling model and metallogenic model of the deposit. It is considered that the Mujicun porphry Cu (Mo) deposit, the Tieling, Futuyu, Xiaoligou and other skarn-type Fe-Cu deposits and the He'ergou hydrothermal-type Pb-Zn-Ag deposit jointly constitute a three-in-one polymetallic orefield, with the characteristics of typical metallogenic series.
基金financially supported by the National Natural Science Foundation of China(Nos.52425408 and 52304345)the Fundamental Research Funds for the Central Universities,China(No.2023CDJXY-016)the Postdoctoral Science Foundation of Chongqing(No.CSTB2023NSCQ-BHX0174)。
文摘Currently,the Al_(2)O_(3)content in the high-alumina slag systems within blast furnaces is generally limited to 16wt%–18.5wt%,making it challenging to overcome this limitation.Unlike most studies that concentrated on managing the MgO/Al_(2)O_(3)ratio or basicity,this paper explored the effect of equimolar substitution of MgO for CaO on the viscosity and structure of a high-alumina CaO-MgO-Al_(2)O_(3)-SiO_(2)slag system,providing theoretical guidance and data to facilitate the application of high-alumina ores.The results revealed that the viscosity first decreased and then increased with higher MgO substitution,reaching a minimum at 15mol%MgO concentration.Fourier transform infrared spectroscopy(FTIR)results found that the depths of the troughs representing[SiO_(4)]tetrahedra,[AlO_(4)]tetrahedra,and Si-O-Al bending became progressively deeper with increased MgO substitution.Deconvolution of the Raman spectra showed that the average number of bridging oxygens per Si atom and the X_(Q^(3))/X_(Q^(2))(X_(Q^(i))is the molar fraction of Q^(i) unit,and i is the number of bridging oxygens in a[SiO_(4)]tetrahedral unit)ratio increased from 2.30 and 1.02 to 2.52 and 2.14,respectively,indicating a progressive polymerization of the silicate structure.X-ray photoelectron spectroscopy(XPS)results highlighted that non-bridging oxygen content decreased from 77.97mol% to 63.41mol% with increasing MgO concentration,whereas bridging oxygen and free oxygen contents increased.Structural analysis demonstrated a gradual increase in the polymerization degree of the tetrahedral structure with the increase in MgO substitution.However,bond strength is another important factor affecting the slag viscosity.The occurrence of a viscosity minimum can be attributed to the complex evolution of bond strengths of non-bridging oxygens generated during depolymerization of the[SiO_(4)]and[AlO_(4)]tetrahedral structures by CaO and MgO.
基金supported by the National Key R&D Program of China(Nos.2023YFE0108300 and 2023YFD2202103)the National Natural Science Foundation of China(No.32371972)+2 种基金the Natural Science Foundation of Jiangsu Province,China(No.BK20221336)Jiangsu Agricultural Science and Technology Independent Innovation Fund,China(No.CX(23)3060)Jiangxi Forestry Bureau Forestry Science and Technology Innovation Special Project,China(No.202240).
文摘The rapid development of 5G communication technology and smart electronic and electrical equipment will inevitably lead to electromagnetic radiation pollution.Enriching heterointerface polarization relaxation through nanostructure design and interface modifica-tion has proven to be an effective strategy to obtain efficient electromagnetic wave absorption.Here,this work implements an innovative method that combines biomimetic honeycomb superstructure to constrain hierarchical porous heterostructure composed of Co/CoO nano-particles to improve the interfacial polarization intensity.The method effectively controlled the absorption efficiency of Co^(2+)through de-lignification modification of bamboo,and combined with the bionic carbon-based natural hierarchical porous structure to achieve uniform dispersion of nanoparticles,which is conducive to the in-depth construction of heterogeneous interfaces.In addition,the multiphase struc-ture brought about by high-temperature pyrolysis provides the best dielectric loss and impedance matching for the material.Therefore,the obtained bamboo-based Co/CoO multiphase composite showed excellent electromagnetic wave absorption performance,achieving excel-lent reflection loss(RL)of-79 dB and effective absorption band width of 4.12 GHz(6.84-10.96 GHz)at low load of 15wt%.Among them,the material’s optimal radar cross-section(RCS)reduction value can reach 31.9 dB·m^(2).This work provides a new approach to the micro-control and comprehensive optimization of macro-design of microwave absorbers,and offers new ideas for the high-value utiliza-tion of biomass materials.
基金supported by the National Natural Science Foundation of China(U21A20281)the Special Fund for Young Teachers from Zhengzhou University(JC23557030,JC23257011)+1 种基金the Key Research Projects of Higher Education Institutions of Henan Province(24A530009)the Project of Zhongyuan Critical Metals Laboratory(GJJSGFYQ202336).
文摘Point defect engineering endows catalysts with novel physical and chemical properties,elevating their electrocatalytic efficiency.The introduction of defects emerges as a promising strategy,effectively modifying the electronic structure of active sites.This optimization influences the adsorption energy of intermediates,thereby mitigating reaction energy barriers,altering paths,enhancing selectivity,and ultimately improving the catalytic efficiency of electrocatalysts.To elucidate the impact of defects on the electrocatalytic process,we comprehensively outline the roles of various point defects,their synthetic methodologies,and characterization techniques.Importantly,we consolidate insights into the relationship between point defects and catalytic activity for hydrogen/oxygen evolution and CO_(2)/O_(2)/N_(2) reduction reactions by integrating mechanisms from diverse reactions.This underscores the pivotal role of point defects in enhancing catalytic performance.At last,the principal challenges and prospects associated with point defects in current electrocatalysts are proposed,emphasizing their role in advancing the efficiency of electrochemical energy storage and conversion materials.
基金supported by the Research Funding of Hangzhou International Innovation Institute of Beihang Uni-versity,China(No.2024KQ130)the National Natural Science Foundation of China(Nos.52073010 and 52373259).
文摘Recent progress in microwave absorption materials stimulates the extensive exploration of rare earth oxide materials.Herein,we report the synthesis of a hollow sphere-based carbon material compounded with rare earth oxides.Hollow N-doped carbon nano-spheres loaded ceria composites(H-NC@CeO_(2))were designed and prepared by the template method,combined with in-situ coating,pyrolysis and chemical etching.By controlling the loading content of H-NC@CeO_(2)and adjusting the impedance matching of the material,the H-NC@CeO_(2)/PS(polystyrene)composite exhibited a minimum reflection loss(RL)of-50.8 dB and an effective absorption band-width(EAB)of 4.64 GHz at a filler ratio of 20wt%and a thickness of 2 mm.In accordance with measured electromagnetic parameters,simulations using the high frequency structure simulator(HFSS)software were conducted to investigate the impact of the honeycomb structure on the electromagnetic wave performance of H-NC@CeO_(2)/PS.By calculating the surface electric field and the material’s bulk loss density,the mechanism of electromagnetic loss for the honeycomb structure was elaborated.A method for structural design and man-ufacturing of broadband absorbing devices was proposed and a broadband absorber with an EAB of 11.9 GHz was prepared.This study presents an innovative approach to designing advanced electromagnetic(EM)wave absorbing materials with broad absorption band-widths.
基金National Natural Science Foundation of China(32201491)Young Elite Scientists Sponsorship Program by CAST(2023QNRC001)The authors extend their appreciation to the Deanship of Scientific Research at Northern Border University,Arar,KSA for funding this research work through the project number“NBU-FPEJ-2024-1101-02”.
文摘Research efforts on electromagnetic interference(EMI)shielding materials have begun to converge on green and sustainable biomass materials.These materials offer numerous advantages such as being lightweight,porous,and hierarchical.Due to their porous nature,interfacial compatibility,and electrical conductivity,biomass materials hold significant potential as EMI shielding materials.Despite concerted efforts on the EMI shielding of biomass materials have been reported,this research area is still relatively new compared to traditional EMI shielding materials.In particular,a more comprehensive study and summary of the factors influencing biomass EMI shielding materials including the pore structure adjustment,preparation process,and micro-control would be valuable.The preparation methods and characteristics of wood,bamboo,cellulose and lignin in EMI shielding field are critically discussed in this paper,and similar biomass EMI materials are summarized and analyzed.The composite methods and fillers of various biomass materials were reviewed.this paper also highlights the mechanism of EMI shielding as well as existing prospects and challenges for development trends in this field.
基金funding from National Science Foundation of China(52202337 and 22178015)the Young Taishan Scholars Program of Shandong Province(tsqn202211082)+1 种基金Natural Science Foundation of Shandong Province(ZR2023MB051)Independent Innovation Research Project of China University of Petroleum(East China)(22CX06023A).
文摘Layer-structured Ruddlesden–Popper(RP)perovskites(RPPs)with decent stability have captured the imagination of the photovoltaic research community and bring hope for boosting the development of perovskite solar cell(PSC)technology.However,two-dimensional(2D)or quasi-2D RP PSCs are encountered with some challenges of the large exciton binding energy,blocked charge transport and poor film quality,which restrict their photovoltaic performance.Fortunately,these issues can be readily resolved by rationally designing spacer cations of RPPs.This review mainly focuses on how to design the molecular structures of organic spacers and aims to endow RPPs with outstanding photovoltaic applications.We firstly elucidated the important roles of organic spacers in impacting crystallization kinetics,charge transporting ability and stability of RPPs.Then we brought three aspects to attention for designing organic spacers.Finally,we presented the specific molecular structure design strategies for organic spacers of RPPs aiming to improve photovoltaic performance of RP PSCs.These proposed strategies in this review will provide new avenues to develop novel organic spacers for RPPs and advance the development of RPP photovoltaic technology for future applications.
基金supported by the Innovative Research Group Project of the National Natural Science Foundation of China(T2121004)Key Programme(52235007)National Outstanding Youth Foundation of China(52325504).
文摘Hydrogel scaffolds have numerous potential applications in the tissue engineering field.However,tough hydrogel scaffolds implanted in vivo are seldom reported because it is difficult to balance biocompatibility and high mechanical properties.Inspired by Chinese ramen,we propose a universal fabricating method(printing-P,training-T,cross-linking-C,PTC&PCT)for tough hydrogel scaffolds to fill this gap.First,3D printing fabricates a hydrogel scaffold with desired structures(P).Then,the scaffold could have extraordinarily high mechanical properties and functional surface structure by cycle mechanical training with salting-out assistance(T).Finally,the training results are fixed by photo-cross-linking processing(C).The tough gelatin hydrogel scaffolds exhibit excellent tensile strength of 6.66 MPa(622-fold untreated)and have excellent biocompatibility.Furthermore,this scaffold possesses functional surface structures from nanometer to micron to millimeter,which can efficiently induce directional cell growth.Interestingly,this strategy can produce bionic human tissue with mechanical properties of 10 kPa-10 MPa by changing the type of salt,and many hydrogels,such as gelatin and silk,could be improved with PTC or PCT strategies.Animal experiments show that this scaffold can effectively promote the new generation of muscle fibers,blood vessels,and nerves within 4 weeks,prompting the rapid regeneration of large-volume muscle loss injuries.
基金sponsored by National Natural Science Foundation of China(No.52302121,No.52203386)Shanghai Sailing Program(No.23YF1454700)+1 种基金Shanghai Natural Science Foundation(No.23ZR1472700)Shanghai Post-doctoral Excellent Program(No.2022664).
文摘With vigorous developments in nanotechnology,the elaborate regulation of microstructure shows attractive potential in the design of electromagnetic wave absorbers.Herein,a hierarchical porous structure and composite heterogeneous interface are constructed successfully to optimize the electromagnetic loss capacity.The macro–micro-synergistic graphene aerogel formed by the ice template‑assisted 3D printing strategy is cut by silicon carbide nanowires(SiC_(nws))grown in situ,while boron nitride(BN)interfacial structure is introduced on graphene nanoplates.The unique composite structure forces multiple scattering of incident EMWs,ensuring the combined effects of interfacial polarization,conduction networks,and magnetic-dielectric synergy.Therefore,the as-prepared composites present a minimum reflection loss value of−37.8 dB and a wide effective absorption bandwidth(EAB)of 9.2 GHz(from 8.8 to 18.0 GHz)at 2.5 mm.Besides,relying on the intrinsic high-temperature resistance of SiC_(nws) and BN,the EAB also remains above 5.0 GHz after annealing in air environment at 600℃ for 10 h.
基金financially supported by the National Key R &D Program of China (No.2022YFB3709300)。
文摘The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.
文摘Two new Mn(Ⅱ)coordination polymers,namely{[Mn_(2)(HL)(phen)_(3)(H_(2)O)_(2)]·7.5H_(2)O}_n(1)and[Mn_(4)(HL)_(2)(1,4-bib)_(3)(H_(2)O)_(2)]_n(2),were synthesized under hydrothermal conditions by using Mn(Ⅱ)ions and 6-(3',4'-dicarboxylphenoxy)-1,2,4-benzenetricarboxylic acid(H_(5)L)in the presence of N-auxiliary ligands 1,10-phenanthroline(phen)and1,4-bis(1H-imidazol-1-yl)benzene(1,4-bib).The structures of coordination polymers 1 and 2 were characterized by infrared spectroscopy,single-crystal X-ray diffraction,thermogravimetric analysis,and powder X-ray diffraction.Single-crystal X-ray diffraction reveals that 1 has a 1D chain structure based on binuclear Mn(Ⅱ)units,while 2 features a(3,8)-connected 3D network structure based on tetranuclear Mn(Ⅱ)units.Magnetic studies show that 1 and 2exhibit antiferromagnetic interactions between manganese ions.2 shows stronger antiferromagnetic interactions due to the shorter Mn…Mn distances within the tetranuclear manganese units.CCDC:2357601,1;2357602,2.
文摘To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bispyridylanthrahydrazone(9,10‑PAH)were designed and synthesized.Utilizing 9‑PAH and 9,10‑PAH as promising anticancer ligands,their respective copper complexes,namely[Cu(L1)Cl_(2)]Cl(1)and{[Cu_(4)(μ_(2)‑Cl)_(3)Cl_(4)(9,10‑PAH)_(2)(DMSO)_(2)]Cl_(2)}_(n)(2),were subsequently synthesized,where the new ligand L1 is formed by coupling two 9‑PAH ligands in the coordination reaction.The chemical and crystal structures of 1 and 2 were elucidated by IR,MS,elemental analysis,and single‑crystal X‑ray diffraction.Complex 1 forms a mononuclear structure.L1 coordinates with Cu through its three N atoms,together with two Cl atoms,to form a five‑coordinated square pyramidal geometry.Complex 2 constitutes a polymeric structure,wherein each structural unit centrosymmetrically encompasses two five‑coordinated binuclear copper complexes(Cu1,Cu2)of 9,10‑PAH,with similar square pyramidal geometry.A chlorine atom(Cl_(2)),located at the symmetry center,bridges Cu1 and Cu1A to connect the two binuclear copper structures.Meanwhile,the two five‑coordinated Cu2 atoms symmetrically bridge the adjacent structural units via one coordinated Cl atom,respectively,thus forming a 1D chain‑like polymeric structure.In vitro anticancer activity assessments revealed that 1 and 2 showed significant cytotoxicity even higher than cisplatin.Specifically,the IC_(50)values of 2 against HeLa‑229 and SK‑OV‑3 cancer cell lines were determined to be(5.92±0.32)μmol·L^(-1)and(6.48±0.39)μmol·L^(-1),respectively.2 could also block the proliferation of HeLa‑229 cells in S phase and significantly induce cell apoptosis.In addition,fluorescence quenching competition experiments suggested that 2 might interact with DNA by an intercalative binding mode,offering insights into its underlying anticancer mechanism.CCDC:2388918,1;2388919,2.
文摘Five cadmium naphthalene-diphosphonates,formulated as[Cd_(1.5)(1,4-ndpaH_(2))2(4,4'-bpyH)(4,4'-bpy)0.5(H_(2)O)_(2)]2(1),[Cd(1,4-ndpaH_(2))(1,4-bib)0.5(H_(2)O)](2),[Cd(1,4-ndpaH3)2(1,2-dpe)(H_(2)O)]·(1,2-dpe)·7H_(2)O(3),(1,2-bixH)[Cd3(1,4-ndpaH)(1,4-ndpaH_(2))2(H_(2)O)_(2)](4),and[Cd(1,4-ndpaH_(2))(H_(2)O)]·H_(2)O(5),have been synthesized from the selfassembly reactions of 1,4-naphthalenediphosphonic acid(1,4-ndpaH4)with Cd(NO3)2·4H_(2)O by introducing auxiliary ligands with variation of rigidity,such as 4,4'-bipyridine(4,4'-bpy),1,4-bis(1-imidazolyl)benzene(1,4-bib),1,2-di(4-pyridyl)ethylene(1,2-dpe),1,3-di(4-pyridyl)propane(1,3-dpp),and bis(imidazol-1-ylmethyl)benzene(1,2-bix),respectively.Structure resolution by single-crystal X-ray diffraction reveals that compound 1 possesses a layered framework,in which the{Cd3(PO2)2}trimers made up of corner-sharing two{CdO4N2}and one{CdO6}octahedra are connected by phosphonate groups,forming a ribbon,which are cross-linked by 4,4'-bipy ligands,forming a 2D layer.Compound 2 shows a 3D open-framework structure,where chains of corner-sharing{CdO4N}trigonal bipyramids and{PO3C}tetrahedra are cross-linked by 1,4-bib and/or phosphonate groups.A 1D ladder-like chain structure is found in compound 3,where the ladder-like chains made up of corner-sharing{CdO5N}octahedra and{PO3C}tetra hedra are connected by 1,4-ndpaH_(2)^(2-).Both compounds 4 and 5 obtained by the introduction of flexible ligands during the synthesis show a 2D layered structure,which is formed by ligand crosslinking double metal chains.Interestingly,In 4,flexible 1,2-bix was singly protonated,as guest molecules,filled between layer and layer,while flexible ligand 1,3-dpp is absent in 5.Photophysical measurements indicate that compounds 1-5 show ligand-centered emissions.
基金supported in part by Award 2121063 from National Science Foundation(to YM)AG66986 from the National Institutes of Health(to MSW).
文摘γ-Secretase,called“the proteasome of the membrane,”is a membrane-embedded protease complex that cleaves 150+peptide substrates with central roles in biology and medicine,including amyloid precursor protein and the Notch family of cell-surface receptors.Mutations inγ-secretase and amyloid precursor protein lead to early-onset familial Alzheimer’s disease.γ-Secretase has thus served as a critical drug target for treating familial Alzheimer’s disease and the more common late-onset Alzheimer’s disease as well.However,critical gaps remain in understanding the mechanisms of processive proteolysis of substrates,the effects of familial Alzheimer’s disease mutations,and allosteric modulation of substrate cleavage byγ-secretase.In this review,we focus on recent studies of structural dynamic mechanisms ofγ-secretase.Different mechanisms,including the“Fit-Stay-Trim,”“Sliding-Unwinding,”and“Tilting-Unwinding,”have been proposed for substrate proteolysis of amyloid precursor protein byγ-secretase based on all-atom molecular dynamics simulations.While an incorrect registry of the Notch1 substrate was identified in the cryo-electron microscopy structure of Notch1-boundγ-secretase,molecular dynamics simulations on a resolved model of Notch1-boundγ-secretase that was reconstructed using the amyloid precursor protein-boundγ-secretase as a template successfully capturedγ-secretase activation for proper cleavages of both wildtype and mutant Notch,being consistent with biochemical experimental findings.The approach could be potentially applied to decipher the processing mechanisms of various substrates byγ-secretase.In addition,controversy over the effects of familial Alzheimer’s disease mutations,particularly the issue of whether they stabilize or destabilizeγ-secretase-substrate complexes,is discussed.Finally,an outlook is provided for future studies ofγ-secretase,including pathways of substrate binding and product release,effects of modulators on familial Alzheimer’s disease mutations of theγ-secretase-substrate complexes.Comprehensive understanding of the functional mechanisms ofγ-secretase will greatly facilitate the rational design of effective drug molecules for treating familial Alzheimer’s disease and perhaps Alzheimer’s disease in general.
