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
Ferroelastic rare earth tantalates(RETaO_(4))are widely researched as the next-generation thermal barrier coatings(TBCs),and RETaO_(4)powders are hugely significant for synthesizing their coatings.The current research...Ferroelastic rare earth tantalates(RETaO_(4))are widely researched as the next-generation thermal barrier coatings(TBCs),and RETaO_(4)powders are hugely significant for synthesizing their coatings.The current research used chemical co-precipitation within an automated experimental device to synthesize RETaO_(4)(RE=Nd,Sm,Gd,Ho,Er)powders.The device automatically monitored and controlled the solutions'pH,improving the chemical co-precipitation efficiency.The crystal structure and microstructure of the RETaO_(4)powders can be controlled by changing the annealing temperature,and the materials undergo an m'-m phase transition.The m'-RETaO_(4)powders exhibit nano-size grains,while m-RETaO_(4)powders evince micron-size grains,altered by the annealing temperatures.A simultaneous thermal analysis es-timates the reversive ferroelastic tetragonal-monoclinic phase transition temperatures.Overall,this research focuses on the synthesis,crystal structures,microstructures,and phase transition of the fabricated RETaO_(4)powders.展开更多
Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene...Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxyacetohydrazide,H_(2)L_(2)=(E)-N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)nicotinohydrazide,Hdbm=dibenzoylmethane,have been constructed by adopting the solvothermal method.Structural characterization unveils that both complexes 1 and 2 are constituted by two Gd^(3+)ions,two dbm-ions,two CH_(3)OH molecules,and two polydentate Schiff-base ligands(HL_(1)^(2-)or L_(2)^(2-)).In addition,complex 1 contains four free methanol molecules,whereas complex 2 harbors two free methanol molecules.By investigating the interactions between complexes 1 and 2 and four types of bacteria(Bacillus subtilis,Escherichia coli,Staphylococcus aureus,Candida albicans),it was found that both complexes 1 and 2 exhibited potent antibacte-rial activities.The interaction mechanisms between the ligands H_(3)L_(1),H_(2)L_(2),complexes 1 and 2,and calf thymus DNA(CT-DNA)were studied using ultraviolet-visible spectroscopy,fluorescence titration,and cyclic voltammetry.The results demonstrated that both complexes 1 and 2 can intercalate into CT-DNA molecules,thereby inhibiting bacterial proliferation to achieve the antibacterial effects.CCDC:2401116,1;2401117,2.展开更多
A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]py...A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]pyrazine scaffold was serendipitously prepared from the reaction of the pro-ligand of H_(2)L1(N,N'-bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide) with CuSO_(4)·5H_(2O) in aqueous solution at room temperature.Complex 1 was characterized by IR,single-crystal X-ray analysis,and magnetic susceptibility measurements.Single-crystal X-ray analysis reveals that the complex consists of three Cu(Ⅱ) ions,two in situ transformed L2~-ligands,two coordinated sulfates,seven coordinated water molecules,and eight uncoordinated water molecules.Magnetic susceptibility measurement indicates that there are obvious ferromagnetic coupling interactions between the adjacent Cu(Ⅱ) ions in 1.CCDC:1852713.展开更多
The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and...The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and[Mg_(2)(L)_(2)(DMSO)_(3)(H_(2)O)](2)with a 2D(4,4)-net structure.Interestingly,the two compounds exhibit distinct luminescent responses to external mechanical stimuli.1 exhibited exceptional resistance mechanical chromic luminescence(RMCL),which can be attributed to the predominant hydrogen bonds and the presence of high-boiling-point solvent molecules within its structure.2 had a reversible MCL property,which can be attributed to the dominantπ-πweak interactions,coupled with the reversible destruction/restoration of its crystallinity under grinding/fumigation.CCDC:2410963,1;2410964,2.展开更多
Two novel lanthanide complexes,[Sm_(2)(BA)_(6)(4-OH-terpy)_(2)]·2H_(2)O·2EtOH(1)and[Pr_(2)(BA)_(6)(4-OH-terpy)_(2)(H_(2)O)_(2)]·HBA·H_(2)O(2),where HBA=benzoic acid,4-OH-terpy=4-hydroxy-2,2'∶6...Two novel lanthanide complexes,[Sm_(2)(BA)_(6)(4-OH-terpy)_(2)]·2H_(2)O·2EtOH(1)and[Pr_(2)(BA)_(6)(4-OH-terpy)_(2)(H_(2)O)_(2)]·HBA·H_(2)O(2),where HBA=benzoic acid,4-OH-terpy=4-hydroxy-2,2'∶6',2″-terpyridine,were successfully synthesized using ultrasonic dissolution and the conventional solution method with two mixed ligands HBA and 4-OH-terpy.During the synthesis,4-OH-terpy was involved in the reaction as a neutral ligand,while HBA,in its deprotonated form(BA-),coordinated with the lanthanide ions as an acidic ligand.The crystal structures of these two complexes were precisely determined by single-crystal X-ray diffraction.Elemental analysis,infrared and Raman spectroscopy,and powder X-ray diffraction techniques were also employed to further explore the physicochemical properties of the two complexes.The single-crystal X-ray diffraction data indicate that,despite their structural differences,both complexes belong to the triclinic crystal system P1 space group.The central lanthanide ions have the same coordination number but exhibit different coordination environments.To comprehensively evaluate the thermal stability of these two complexes,comprehensive tests including thermogravimetric analysis,differential thermogravimetric analysis,differential scanning calorimetry,Fourier transform infrared spectroscopy,and mass spectrometry were conducted.Meanwhile,an in-depth investigation was conducted into the 3D infrared stacked images and mass spectra of the gases emitted from the complexes.In addition,studies of the fluorescence properties of complex1 showed that it exhibited fluorescence emission matching the Sm^(3+)characteristic transition.展开更多
Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfull...Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2.展开更多
The high-pressure phase diagram of the Nb-Ti binary system at 0 K is explored by systematic crystal structure prediction.The results highlight a novel niobium-rich bcc phase,Nb_(7)Ti,which is the only dynamically stab...The high-pressure phase diagram of the Nb-Ti binary system at 0 K is explored by systematic crystal structure prediction.The results highlight a novel niobium-rich bcc phase,Nb_(7)Ti,which is the only dynamically stable ordered Nb-Ti compound under ambient pressure.Extensive first-principles calculations have provided insights into the electronic structure,bonding and superconducting properties of Nb_(7)Ti.The superconducting transition temperature(T_(c))for Nb_(7)Ti at ambient pressure is estimated within the framework of BCS theory to be about 17.5 K,which is significantly higher—nearly double—that of the widely utilized NbTi alloy.Furthermore,the results unveil that the high T_(c) is mainly attributed to the unique ordered lattice along with the strong electron-phonon coupling driven by interatomic interactions at mid-frequency and phonon softening induced by low-frequency Fermi surface nesting.Valuable insights are provided for the subsequent synthesis of application-oriented superconductors at low pressure.展开更多
To improve the ability of diglycolamide extractants for the extraction of Sr(Ⅱ)from high-level waste liquid,N,N,N′,N′-tetracyclohexyldiglycolamide(TCHDGA)was proposed and studied to extract Sr(Ⅱ)from nitrate media...To improve the ability of diglycolamide extractants for the extraction of Sr(Ⅱ)from high-level waste liquid,N,N,N′,N′-tetracyclohexyldiglycolamide(TCHDGA)was proposed and studied to extract Sr(Ⅱ)from nitrate media.TCHDGA was prepared and characterized by 1H nuclear magnetic resonance spectroscopy(NMR),^(13)C NMR,and fourier transform infrared spectroscopy(FT-IR).Various factors affecting extraction were studied systematically.In just 20 s,the extraction rate can reach approximately 98.2%.The extraction capacity of cyclohexyl-substituted extractant TCHDGA is tens of times higher than that with linear or branched chain alkyl.The chemical structure of the complex has been demonstrated to be[Sr3TCHDGA]·(NO_(3))_(2),based on FT-IR,X-ray photoelectron spectroscopy(XPS),and crystal structure analysis.The crystal belongs to the monoclinic system,space group P21,and a strontium ion coordinates with nine oxygen atoms,all of which contribute from TCHDGA.The stripping rate can reach over 99%when using distilled water or 0.50 mol·L^(-1)oxalic acid as stripping agents.展开更多
All-inorganic perovskites based on cesium-lead-bromine(Cs-Pb-Br)have been a prominent research focus in optoelectronics in recent years.The optimisation and tunability of their macroscopic properties exploit the confo...All-inorganic perovskites based on cesium-lead-bromine(Cs-Pb-Br)have been a prominent research focus in optoelectronics in recent years.The optimisation and tunability of their macroscopic properties exploit the conformational flexibility,resulting in various crystal structures.Varying synthesis parameters can yield distinct crystal structures from Cs,Pb,and Br precursors,and manually exploring the relationship between these synthesis parameters and the resulting crystal structure is both labour-intensive and time-consuming.Machine learning(ML)can rapidly uncover insights and drive discoveries in chemical synthesis with the support of data,significantly reducing both the cost and development cycle of materials.Here,we gathered synthesis parameters from published literature(220 synthesis runs)and implemented eight distinct ML models,including eXtreme Gradient Boosting(XGB),Decision Tree(DT),Support Vector Machine(SVM),Random Forest(RF),Naïve Bayes(NB),Logistic Regression(LR),Gradient Boosting(GB),and K-Nearest(KN)to classify and predict Cs-Pb-Br crystal structures from given synthesis parameters.Validation accuracy,precision,F1 score,recall,and average area under the curve(AUC)are employed to evaluate these ML models.The XGB model exhibited the best performance,achieving a validation accuracy of 0.841.The trained XGB model was subsequently utilised to predict the structure from 10 experimental runs using a randomised set of parameters,achieving a testing accuracy of 0.8.The results indicate that the Cs/Pb molar ratio,reaction time,and the concentration of organic compounds(ligands)play crucial roles in synthesising various crystal structures of Cs-Pb-Br.This study demonstrates a significant decrease in effort required for experimental procedures and builds a foundational basis for predicting crystal structures from synthesis parameters.展开更多
As an extreme physical condition,high pressure serves as a potent means to substantially modify the interatomic distances and bonding patterns within condensed matter,thereby enabling the macroscopic manipulation of m...As an extreme physical condition,high pressure serves as a potent means to substantially modify the interatomic distances and bonding patterns within condensed matter,thereby enabling the macroscopic manipulation of material properties.We employed the CALYPSO method to predict the stable structures of RbB_(2)C_(4)across the pressure range from 0 GPa to 100 GPa and investigated its physical properties through first-principles calculations.Specially,we found four novel structures,namely,P6_(3)/mcm-,Amm2-,P1-,and I4/mmm-RbB_(2)C_(4).Under pressure conditions,electronic structure calculations reveal that all of them exhibit metallic characteristics.The calculation results of formation enthalpy show that the P6_(3)/mcm structure can be synthesized within the pressure range of 0–40 GPa.Specially,the Amm2,P1,and I4/mmm structures can be synthesized above 4 GPa,6 GPa,10 GPa,respectively.Moreover,the estimated Vickers hardness value of I4/mmm-RbB_(2)C_(4)compound is 47 GPa,suggesting that it is a superhard material.Interestingly,this study uncovers the continuous transformation of the crystal structure of RbB_(2)C_(4)from a layered configuration to folded and tubular forms,ultimately attaining a stabilized cage-like structure under the pressure span of 0–100 GPa.The application of pressure offers a formidable impetus for the advancement and innovation in condensed matter physics,facilitating the exploration of novel states and functions of matter.展开更多
The magnetic refrigeration(MR)based on the principle of magnetocaloric effect(MCE)in magnetic materials was recognized as an alternative cooling way to our present commercialized vapor compression cycle technology.Evi...The magnetic refrigeration(MR)based on the principle of magnetocaloric effect(MCE)in magnetic materials was recognized as an alternative cooling way to our present commercialized vapor compression cycle technology.Evidently,a vital prerequisite for practical applications is the exploration of candidate materials with prominent magnetocaloric performances.In this paper,the polycrystalline garnet RE_(3)Al_(5)O_(12)(RE=Tb,Dy and Ho)compounds with the cubic structure(space group:Ia3d)were prepared using the Pechini sol-gel method,and their crystal structure,magnetic properties and comprehensive magnetocaloric performances were studied.The analysis of magnetic susceptibility curves in a static magnetic field H=0.1 T reveal that the Dy_(3)Al_(5)O_(12)undergoes antiferromagnetic transition with Néel temperature TN≈2.6 K,whereas the Tb_(3)Al_(5)O_(12)and Ho_(3)Al_(5)O_(12)exhibit no features indicative of the magnetic ordering processes down to 1.8 K.The comprehensive magnetocaloric performances,namely the maximum magnetic entropy change and relative cooling power,are derived indirectly from the isothermal field-dependent magnetization data,which yield 11.72,10.42,7.53 J/(kg·K)and 84.56,69.52,70.35 J/kg for the Tb_(3)Al_(5)O_(12),Dy_(3)Al_(5)O_(12)and Ho_(3)Al_(5)O_(12)under a low field change(ΔH)of 0-2 T,respectively.The superior comprehensive magnetocaloric performances and wide operating temperature range of these compounds under lowΔH make them attractive for cryogenic MR technology.展开更多
In the printing industry,the common method of coloring relies on inks,which contains amounts of chemical agents,causing environment pollution.However,structural color achieves coloration through the refraction and dif...In the printing industry,the common method of coloring relies on inks,which contains amounts of chemical agents,causing environment pollution.However,structural color achieves coloration through the refraction and diffraction of light by periodic structure,offering eco-friendly and fade-resistant advantages,as well as colorful.In this study,screen printing was used to create patterned mask on paper substrates.Then,coated SiO_(2)microspheres on the mask to create structural color patterns with angle-dependent color characteristics.The patterns showed color changes from rose-red to orange to green by changing the viewing angle.By changing the color grayscale,the absorption of stray light by the substrate was enhanced,thereby the brightness and saturation of the structural color improved too.This method is simple,cost-effective,and environmentally friendly,and it has highly promising for the application in printing and anti-counterfeiting.展开更多
Understanding the evolution of microstructures in nuclear fuels under high-burn-up conditions is critical for extending fuel refueling cycles and enhancing nuclear reactor safety.In this study,a phase-field model is p...Understanding the evolution of microstructures in nuclear fuels under high-burn-up conditions is critical for extending fuel refueling cycles and enhancing nuclear reactor safety.In this study,a phase-field model is proposed to examine the evolution of high-burn-up structures in polycrystalline UO_(2).The formation and growth of recrystallized grains were initially investigated.It was demonstrated that recrystallization kinetics adhere to the Kolmogorov–Johnson–Mehl–Avrami(KJMA)equation,and that recrystallization represents a process of free-energy reduction.Subsequently,the microstructural evolution in UO_(2) was analyzed as the burn up increased.Gas bubbles acted as additional nucleation sites,thereby augmenting the recrystallization kinetics,whereas the presence of recrystallized grains accelerated bubble growth by increasing the number of grain boundaries.The observed variations in the recrystallization kinetics and porosity with burn-up closely align with experimental findings.Furthermore,the influence of grain size on microstructure evolution was investigated.Larger grain sizes were found to decrease porosity and the occurrence of high-burn-up structures.展开更多
This work proposes a bioinspired hierarchical actuation strategy based on liquid crystal elastomers(LCEs),inspired by the helical topological dynamic adaptation mechanism of plant tendrils,to overcome the bottleneck o...This work proposes a bioinspired hierarchical actuation strategy based on liquid crystal elastomers(LCEs),inspired by the helical topological dynamic adaptation mechanism of plant tendrils,to overcome the bottleneck of precise anisotropic control in LCEs.Mechanically pre-programmed hierarchical LCE structures responsive to near-infrared(NIR)light were fabricated:the oriented constrained actuator achieves asymmetric contraction under NIR irradiation,enabling reversible switching between helix and planar morphologies with multi-terrain grasping capability;the biomimetic vine-like helical actuator,composed of Ag nanowire photothermal layers combined with helical LCE,utilizes temperaturegradient-induced phase transition wave propagation to achieve NIR-controlled climbing motion;the M?bius topology actuator realizes reversible deformation or self-locking states by tuning the twist angle(180°/360°);based on these,a bioinspired koala-like concentric soft robot was constructed,successfully demonstrating tree trunk climbing.This study reveals that artificial helical stretching significantly enhances the molecular chain orientation of LCEs(surpassing uniaxial stretching),reaching up to 1000%pre-strain,and the Ag NWs/LCE/PI(Polyimide)tri-layer structure achieves efficient photothermal-mechanical energy conversion via localized surface plasmon resonance(LSPR).This study provides a new paradigm for soft robotics material design and topological programming,demonstrating the potential for remote operation and adaptive grasping.展开更多
Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled t...Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled thermomechanical fields remains insufficiently understood.In this study,transmission and scanning electron microscopy were employed to observe dislocation structures and grain boundary heterogeneities in processed aluminum alloys,suggesting stress concentrations and microstructural inhomogeneities associated with vacancy accumulation.To complement these observations,first-principles calculations and molecular dynamics simulations were conducted for seven single-vacancy configurations in face-centered cubic aluminum.The stress response,total energy,density of states(DOS),and differential charge density were examined under varying compressive strain(ε=0–0.1)and temperature(0–600 K).The results indicate that face-centered vacancies tend to reduce mechanical strength and perturb electronic states near the Fermi level,whereas corner and edge vacancies appear to have weaker effects.Elevated temperatures may partially restore electronic uniformity through thermal excitation.Overall,these findings suggest that vacancy position exerts a critical but position-dependent influence on coupled structure-property relationships,offering theoretical insights and preliminary experimental support for defect-engineered aluminum alloy design.展开更多
Design of a miniaturized lumped-element bandpass filter in multilayer liquid crystal polymer technology is proposed.Fractional bandwidth of the bandpass filter is 20%,operating at a center frequency of 500 MHz.In orde...Design of a miniaturized lumped-element bandpass filter in multilayer liquid crystal polymer technology is proposed.Fractional bandwidth of the bandpass filter is 20%,operating at a center frequency of 500 MHz.In order to further reduce the size and improve the performance of the proposed filter,defected ground structure(DGS)has been implemented in the filter.Based on this structure,the volume of the inductor is reduced by 60%eficiently compared with the inductor without DGS,and the Q-factor is increased up to 257%compared with the traditional multilayer spiral inductor.The measured results indicate that the designed filter has a very sharp stopband,an insertion loss of 2.3dB,and a return loss of 18.6dB in the passband.The whole volume of the fabricated filter is 0.032入_(g)×0.05入_(g)×0.00075入_(g),where Ag is the guided wavelength of the center frequency.The proposed filter is easily integrated into radio-frequency/microwave circuitry at a low manufacturing cost,especially wireless communication.展开更多
2-substituted-1-amino-o-carboranes 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10)(R=CH_(3),1a;R=Ph,1b)were synthesized and the reactions of these compounds with the yttrium dialkyl complex[Y(L)(CH_(2)SiMe3)_(2)](L=[2-(2,5-Me_(2)C_(...2-substituted-1-amino-o-carboranes 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10)(R=CH_(3),1a;R=Ph,1b)were synthesized and the reactions of these compounds with the yttrium dialkyl complex[Y(L)(CH_(2)SiMe3)_(2)](L=[2-(2,5-Me_(2)C_(4)H_(2)N)C_(6)H4NC(Ph)=NDipp]-,Dipp=2,6-iPr_(2)C_(6)H_(3))were investigated.The 1H NMR spectroscopy indicate that the reaction of ytrrium dialkyl complex with one equivalent of 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10) produce the mixture of ytrrium alkyl-amido complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))(CH_(2)SiMe3)](R=CH_(3),2a;R=Ph,2b)and bis(amido)complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))_(2)](R=CH_(3),3a;R=Ph,3b).The yttrium bridging imido complex[Y(L)(2-CH_(3)-1-N-o-C_(2)B_(10)H_(10))]_(2)(4a)was obtained by heating the mixture at 55℃for 12 h.Complex 3a was isolated and characterized by treating the yttrium dialkyl complex with two equivalents of 1a.The structures of complexes 3a and 4a were verified by single-crystal Xray diffraction.CCDC:2424136,3a;2424137,4a.展开更多
Poly(_(L)-lactide)(PLLA),a leading biodegradable polyester,has demonstrated potential as a sustainable alternative,owing to its excellent biodegradability and rigidity.However,their slow crystallization kinetics and p...Poly(_(L)-lactide)(PLLA),a leading biodegradable polyester,has demonstrated potential as a sustainable alternative,owing to its excellent biodegradability and rigidity.However,their slow crystallization kinetics and poor heat resistance limit their application scope.Recent advances have highlighted that the combination of extensional flow and thermal fields can achieve toughness–stiffness balance,high transparency,and good heat resistance.However,the effect of extensional flow on the post-non-isothermal crystallization of PLLA during heating and the resulting crystalline texture remains unclear.In this study,PLLA with a heterogeneous amorphous structure and oriented polymorph was prepared by extensional flow.The effect of heterogeneous amorphous structures on non-isothermal crystallization kinetics during the heating process was studied by thermal analysis,polarized optical microscopy,infrared spectroscopy,and ex situ/in situ X-ray characterization.These results clearly illustrate that extensional flow enhances the formation of oriented crystalline structures,accelerates non-isothermal crystallization,and modulates the polymorphic composition of PLLA.Moreover,an unexpected dual cold-crystallization behavior is identified in ordered PLLA samples upon extensional flow,which is from the extensional flow-induced heterogeneous amorphous phase into α' phase(low-temperature peak)and the pristine amorphous phase intoαphase(high-temperature peak).The extensional flow primarily promotes the formation of the more perfectαandα'phases,but has a negative effect on the final content ofαphase formed after cold crystallization andα'-to-αphase transformation.The findings of this work advance the understanding of PLLA non-isothermal crystallization after extensional flow and offer valuable guidance for high-performance PLLA upon heat treatment in practical processing.展开更多
For emerging renewable and sustainable energy technologies,single crystal materials have become key materials to enhance electrocatalytic performance because of their atomic-level ordered structures and tailorable sur...For emerging renewable and sustainable energy technologies,single crystal materials have become key materials to enhance electrocatalytic performance because of their atomic-level ordered structures and tailorable surface and interfacial properties.Various single crystal types,including metals,semiconductors,ceramics,organics,and nanocrystals,exhibit superior catalytic selectivity and stability in reactions such as water splitting and carbon/nitrogen cycles,benefiting from high electrical conductivity,tunable energy bands,and active sites with high surface energy.Through surface modification,interfacial atomic doping,and heterostructure construction,the distribution of active sites,electronic structure,and mass transport can be precisely regulated,significantly optimizing the catalytic kinetics of single crystal materials.In situ characterizations elucidate catalytic mechanisms at the atomic scale,while emerging methods like AI-assisted synthesis and bio-template directed growth offer pathways to overcome bottlenecks in the precision and cost of single crystal preparation.In addressing stability challenges in complex environments,strategies such as organic-inorganic hybridization and gradient interface design effectively mitigate interfacial instability.Future research should focus on cross-scale structural regulation and multidisciplinary integration to facilitate the transition of single crystal electrocatalysts from fundamental research to industrial applications,enabling efficient energy conversion.展开更多
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.
基金the Rare and Precious Metals Material Genetic Engineering Project of Yunnan Province(202102AB080019-1)National Key Research and Development Program of China(2022YFB3708600)the National Natural Science Foundation of China(91960103).
文摘Ferroelastic rare earth tantalates(RETaO_(4))are widely researched as the next-generation thermal barrier coatings(TBCs),and RETaO_(4)powders are hugely significant for synthesizing their coatings.The current research used chemical co-precipitation within an automated experimental device to synthesize RETaO_(4)(RE=Nd,Sm,Gd,Ho,Er)powders.The device automatically monitored and controlled the solutions'pH,improving the chemical co-precipitation efficiency.The crystal structure and microstructure of the RETaO_(4)powders can be controlled by changing the annealing temperature,and the materials undergo an m'-m phase transition.The m'-RETaO_(4)powders exhibit nano-size grains,while m-RETaO_(4)powders evince micron-size grains,altered by the annealing temperatures.A simultaneous thermal analysis es-timates the reversive ferroelastic tetragonal-monoclinic phase transition temperatures.Overall,this research focuses on the synthesis,crystal structures,microstructures,and phase transition of the fabricated RETaO_(4)powders.
文摘Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxyacetohydrazide,H_(2)L_(2)=(E)-N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)nicotinohydrazide,Hdbm=dibenzoylmethane,have been constructed by adopting the solvothermal method.Structural characterization unveils that both complexes 1 and 2 are constituted by two Gd^(3+)ions,two dbm-ions,two CH_(3)OH molecules,and two polydentate Schiff-base ligands(HL_(1)^(2-)or L_(2)^(2-)).In addition,complex 1 contains four free methanol molecules,whereas complex 2 harbors two free methanol molecules.By investigating the interactions between complexes 1 and 2 and four types of bacteria(Bacillus subtilis,Escherichia coli,Staphylococcus aureus,Candida albicans),it was found that both complexes 1 and 2 exhibited potent antibacte-rial activities.The interaction mechanisms between the ligands H_(3)L_(1),H_(2)L_(2),complexes 1 and 2,and calf thymus DNA(CT-DNA)were studied using ultraviolet-visible spectroscopy,fluorescence titration,and cyclic voltammetry.The results demonstrated that both complexes 1 and 2 can intercalate into CT-DNA molecules,thereby inhibiting bacterial proliferation to achieve the antibacterial effects.CCDC:2401116,1;2401117,2.
文摘A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]pyrazine scaffold was serendipitously prepared from the reaction of the pro-ligand of H_(2)L1(N,N'-bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide) with CuSO_(4)·5H_(2O) in aqueous solution at room temperature.Complex 1 was characterized by IR,single-crystal X-ray analysis,and magnetic susceptibility measurements.Single-crystal X-ray analysis reveals that the complex consists of three Cu(Ⅱ) ions,two in situ transformed L2~-ligands,two coordinated sulfates,seven coordinated water molecules,and eight uncoordinated water molecules.Magnetic susceptibility measurement indicates that there are obvious ferromagnetic coupling interactions between the adjacent Cu(Ⅱ) ions in 1.CCDC:1852713.
文摘The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and[Mg_(2)(L)_(2)(DMSO)_(3)(H_(2)O)](2)with a 2D(4,4)-net structure.Interestingly,the two compounds exhibit distinct luminescent responses to external mechanical stimuli.1 exhibited exceptional resistance mechanical chromic luminescence(RMCL),which can be attributed to the predominant hydrogen bonds and the presence of high-boiling-point solvent molecules within its structure.2 had a reversible MCL property,which can be attributed to the dominantπ-πweak interactions,coupled with the reversible destruction/restoration of its crystallinity under grinding/fumigation.CCDC:2410963,1;2410964,2.
文摘Two novel lanthanide complexes,[Sm_(2)(BA)_(6)(4-OH-terpy)_(2)]·2H_(2)O·2EtOH(1)and[Pr_(2)(BA)_(6)(4-OH-terpy)_(2)(H_(2)O)_(2)]·HBA·H_(2)O(2),where HBA=benzoic acid,4-OH-terpy=4-hydroxy-2,2'∶6',2″-terpyridine,were successfully synthesized using ultrasonic dissolution and the conventional solution method with two mixed ligands HBA and 4-OH-terpy.During the synthesis,4-OH-terpy was involved in the reaction as a neutral ligand,while HBA,in its deprotonated form(BA-),coordinated with the lanthanide ions as an acidic ligand.The crystal structures of these two complexes were precisely determined by single-crystal X-ray diffraction.Elemental analysis,infrared and Raman spectroscopy,and powder X-ray diffraction techniques were also employed to further explore the physicochemical properties of the two complexes.The single-crystal X-ray diffraction data indicate that,despite their structural differences,both complexes belong to the triclinic crystal system P1 space group.The central lanthanide ions have the same coordination number but exhibit different coordination environments.To comprehensively evaluate the thermal stability of these two complexes,comprehensive tests including thermogravimetric analysis,differential thermogravimetric analysis,differential scanning calorimetry,Fourier transform infrared spectroscopy,and mass spectrometry were conducted.Meanwhile,an in-depth investigation was conducted into the 3D infrared stacked images and mass spectra of the gases emitted from the complexes.In addition,studies of the fluorescence properties of complex1 showed that it exhibited fluorescence emission matching the Sm^(3+)characteristic transition.
文摘Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2.
基金supported by the National Natural Science Foundation of China(Grant Nos.12122405,12274169,and 11574109)the Fundamental Research Funds for the Central Universities。
文摘The high-pressure phase diagram of the Nb-Ti binary system at 0 K is explored by systematic crystal structure prediction.The results highlight a novel niobium-rich bcc phase,Nb_(7)Ti,which is the only dynamically stable ordered Nb-Ti compound under ambient pressure.Extensive first-principles calculations have provided insights into the electronic structure,bonding and superconducting properties of Nb_(7)Ti.The superconducting transition temperature(T_(c))for Nb_(7)Ti at ambient pressure is estimated within the framework of BCS theory to be about 17.5 K,which is significantly higher—nearly double—that of the widely utilized NbTi alloy.Furthermore,the results unveil that the high T_(c) is mainly attributed to the unique ordered lattice along with the strong electron-phonon coupling driven by interatomic interactions at mid-frequency and phonon softening induced by low-frequency Fermi surface nesting.Valuable insights are provided for the subsequent synthesis of application-oriented superconductors at low pressure.
基金supported by the Natural Science Foundation of Shandong Province(ZR2022QB067).
文摘To improve the ability of diglycolamide extractants for the extraction of Sr(Ⅱ)from high-level waste liquid,N,N,N′,N′-tetracyclohexyldiglycolamide(TCHDGA)was proposed and studied to extract Sr(Ⅱ)from nitrate media.TCHDGA was prepared and characterized by 1H nuclear magnetic resonance spectroscopy(NMR),^(13)C NMR,and fourier transform infrared spectroscopy(FT-IR).Various factors affecting extraction were studied systematically.In just 20 s,the extraction rate can reach approximately 98.2%.The extraction capacity of cyclohexyl-substituted extractant TCHDGA is tens of times higher than that with linear or branched chain alkyl.The chemical structure of the complex has been demonstrated to be[Sr3TCHDGA]·(NO_(3))_(2),based on FT-IR,X-ray photoelectron spectroscopy(XPS),and crystal structure analysis.The crystal belongs to the monoclinic system,space group P21,and a strontium ion coordinates with nine oxygen atoms,all of which contribute from TCHDGA.The stripping rate can reach over 99%when using distilled water or 0.50 mol·L^(-1)oxalic acid as stripping agents.
基金the Italian Space Agency(Agenzia Spaziale Italiana,ASI)in the framework of the Research Day“Giornate della Ricerca Spaziale”initiative through the contract ASI N.2023-4-U.0.
文摘All-inorganic perovskites based on cesium-lead-bromine(Cs-Pb-Br)have been a prominent research focus in optoelectronics in recent years.The optimisation and tunability of their macroscopic properties exploit the conformational flexibility,resulting in various crystal structures.Varying synthesis parameters can yield distinct crystal structures from Cs,Pb,and Br precursors,and manually exploring the relationship between these synthesis parameters and the resulting crystal structure is both labour-intensive and time-consuming.Machine learning(ML)can rapidly uncover insights and drive discoveries in chemical synthesis with the support of data,significantly reducing both the cost and development cycle of materials.Here,we gathered synthesis parameters from published literature(220 synthesis runs)and implemented eight distinct ML models,including eXtreme Gradient Boosting(XGB),Decision Tree(DT),Support Vector Machine(SVM),Random Forest(RF),Naïve Bayes(NB),Logistic Regression(LR),Gradient Boosting(GB),and K-Nearest(KN)to classify and predict Cs-Pb-Br crystal structures from given synthesis parameters.Validation accuracy,precision,F1 score,recall,and average area under the curve(AUC)are employed to evaluate these ML models.The XGB model exhibited the best performance,achieving a validation accuracy of 0.841.The trained XGB model was subsequently utilised to predict the structure from 10 experimental runs using a randomised set of parameters,achieving a testing accuracy of 0.8.The results indicate that the Cs/Pb molar ratio,reaction time,and the concentration of organic compounds(ligands)play crucial roles in synthesising various crystal structures of Cs-Pb-Br.This study demonstrates a significant decrease in effort required for experimental procedures and builds a foundational basis for predicting crystal structures from synthesis parameters.
基金Project supported by the Jilin Provincial Science and Technology Development Joint Fund Project(Grant No.YDZJ202201ZYTS581)supported by the Scientific and Technological Research Project of Jilin Provincial Education Department(Grant No.JJKH20240077KJ).
文摘As an extreme physical condition,high pressure serves as a potent means to substantially modify the interatomic distances and bonding patterns within condensed matter,thereby enabling the macroscopic manipulation of material properties.We employed the CALYPSO method to predict the stable structures of RbB_(2)C_(4)across the pressure range from 0 GPa to 100 GPa and investigated its physical properties through first-principles calculations.Specially,we found four novel structures,namely,P6_(3)/mcm-,Amm2-,P1-,and I4/mmm-RbB_(2)C_(4).Under pressure conditions,electronic structure calculations reveal that all of them exhibit metallic characteristics.The calculation results of formation enthalpy show that the P6_(3)/mcm structure can be synthesized within the pressure range of 0–40 GPa.Specially,the Amm2,P1,and I4/mmm structures can be synthesized above 4 GPa,6 GPa,10 GPa,respectively.Moreover,the estimated Vickers hardness value of I4/mmm-RbB_(2)C_(4)compound is 47 GPa,suggesting that it is a superhard material.Interestingly,this study uncovers the continuous transformation of the crystal structure of RbB_(2)C_(4)from a layered configuration to folded and tubular forms,ultimately attaining a stabilized cage-like structure under the pressure span of 0–100 GPa.The application of pressure offers a formidable impetus for the advancement and innovation in condensed matter physics,facilitating the exploration of novel states and functions of matter.
基金supported by the National Natural Science Foundation of China(52301240,52472274)the Fundamental Research Funds for the Provincial Universities of Zhejiang(GK259909299001-022)。
文摘The magnetic refrigeration(MR)based on the principle of magnetocaloric effect(MCE)in magnetic materials was recognized as an alternative cooling way to our present commercialized vapor compression cycle technology.Evidently,a vital prerequisite for practical applications is the exploration of candidate materials with prominent magnetocaloric performances.In this paper,the polycrystalline garnet RE_(3)Al_(5)O_(12)(RE=Tb,Dy and Ho)compounds with the cubic structure(space group:Ia3d)were prepared using the Pechini sol-gel method,and their crystal structure,magnetic properties and comprehensive magnetocaloric performances were studied.The analysis of magnetic susceptibility curves in a static magnetic field H=0.1 T reveal that the Dy_(3)Al_(5)O_(12)undergoes antiferromagnetic transition with Néel temperature TN≈2.6 K,whereas the Tb_(3)Al_(5)O_(12)and Ho_(3)Al_(5)O_(12)exhibit no features indicative of the magnetic ordering processes down to 1.8 K.The comprehensive magnetocaloric performances,namely the maximum magnetic entropy change and relative cooling power,are derived indirectly from the isothermal field-dependent magnetization data,which yield 11.72,10.42,7.53 J/(kg·K)and 84.56,69.52,70.35 J/kg for the Tb_(3)Al_(5)O_(12),Dy_(3)Al_(5)O_(12)and Ho_(3)Al_(5)O_(12)under a low field change(ΔH)of 0-2 T,respectively.The superior comprehensive magnetocaloric performances and wide operating temperature range of these compounds under lowΔH make them attractive for cryogenic MR technology.
文摘In the printing industry,the common method of coloring relies on inks,which contains amounts of chemical agents,causing environment pollution.However,structural color achieves coloration through the refraction and diffraction of light by periodic structure,offering eco-friendly and fade-resistant advantages,as well as colorful.In this study,screen printing was used to create patterned mask on paper substrates.Then,coated SiO_(2)microspheres on the mask to create structural color patterns with angle-dependent color characteristics.The patterns showed color changes from rose-red to orange to green by changing the viewing angle.By changing the color grayscale,the absorption of stray light by the substrate was enhanced,thereby the brightness and saturation of the structural color improved too.This method is simple,cost-effective,and environmentally friendly,and it has highly promising for the application in printing and anti-counterfeiting.
基金supported by the National Natural Science Foundation of China(Grant Nos.U20B2013 and 12205286)the National Key Research and Development Program of China(Grant No.2022YFB1902401)。
文摘Understanding the evolution of microstructures in nuclear fuels under high-burn-up conditions is critical for extending fuel refueling cycles and enhancing nuclear reactor safety.In this study,a phase-field model is proposed to examine the evolution of high-burn-up structures in polycrystalline UO_(2).The formation and growth of recrystallized grains were initially investigated.It was demonstrated that recrystallization kinetics adhere to the Kolmogorov–Johnson–Mehl–Avrami(KJMA)equation,and that recrystallization represents a process of free-energy reduction.Subsequently,the microstructural evolution in UO_(2) was analyzed as the burn up increased.Gas bubbles acted as additional nucleation sites,thereby augmenting the recrystallization kinetics,whereas the presence of recrystallized grains accelerated bubble growth by increasing the number of grain boundaries.The observed variations in the recrystallization kinetics and porosity with burn-up closely align with experimental findings.Furthermore,the influence of grain size on microstructure evolution was investigated.Larger grain sizes were found to decrease porosity and the occurrence of high-burn-up structures.
基金financially supported by the National Natural Science Foundation of China(Nos.52275290 and 51905222)the Research Project of the State Key Laboratory of Mechanical System and Oscillation(No.MSV202419)+2 种基金Major Program of the National Natural Science Foundation of China for Basic Theory and Key Technology of Tri-Co Robots(No.92248301)Opening Project of the Key Laboratory of Bionic Engineering(Ministry of Education),Jilin University(No.KF2023006)Postgraduate Research&Practice Innovation Program of Jiangsu Province(No.SJCX23_2091)。
文摘This work proposes a bioinspired hierarchical actuation strategy based on liquid crystal elastomers(LCEs),inspired by the helical topological dynamic adaptation mechanism of plant tendrils,to overcome the bottleneck of precise anisotropic control in LCEs.Mechanically pre-programmed hierarchical LCE structures responsive to near-infrared(NIR)light were fabricated:the oriented constrained actuator achieves asymmetric contraction under NIR irradiation,enabling reversible switching between helix and planar morphologies with multi-terrain grasping capability;the biomimetic vine-like helical actuator,composed of Ag nanowire photothermal layers combined with helical LCE,utilizes temperaturegradient-induced phase transition wave propagation to achieve NIR-controlled climbing motion;the M?bius topology actuator realizes reversible deformation or self-locking states by tuning the twist angle(180°/360°);based on these,a bioinspired koala-like concentric soft robot was constructed,successfully demonstrating tree trunk climbing.This study reveals that artificial helical stretching significantly enhances the molecular chain orientation of LCEs(surpassing uniaxial stretching),reaching up to 1000%pre-strain,and the Ag NWs/LCE/PI(Polyimide)tri-layer structure achieves efficient photothermal-mechanical energy conversion via localized surface plasmon resonance(LSPR).This study provides a new paradigm for soft robotics material design and topological programming,demonstrating the potential for remote operation and adaptive grasping.
基金supported by the Research Project on Strengthening the Construction of an Important Ecological Security Barrier in Northern China by Higher Education Institutions in the Inner Mongolia Autonomous Region(STAQZX202313)the Inner Mongolia Autonomous Region Education Science‘14th Five-Year Plan’2024 Annual Research Project(NGJGH2024635).
文摘Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled thermomechanical fields remains insufficiently understood.In this study,transmission and scanning electron microscopy were employed to observe dislocation structures and grain boundary heterogeneities in processed aluminum alloys,suggesting stress concentrations and microstructural inhomogeneities associated with vacancy accumulation.To complement these observations,first-principles calculations and molecular dynamics simulations were conducted for seven single-vacancy configurations in face-centered cubic aluminum.The stress response,total energy,density of states(DOS),and differential charge density were examined under varying compressive strain(ε=0–0.1)and temperature(0–600 K).The results indicate that face-centered vacancies tend to reduce mechanical strength and perturb electronic states near the Fermi level,whereas corner and edge vacancies appear to have weaker effects.Elevated temperatures may partially restore electronic uniformity through thermal excitation.Overall,these findings suggest that vacancy position exerts a critical but position-dependent influence on coupled structure-property relationships,offering theoretical insights and preliminary experimental support for defect-engineered aluminum alloy design.
基金the Shaanxi Provincial Key Research and Development Program(No.2020GY-040)。
文摘Design of a miniaturized lumped-element bandpass filter in multilayer liquid crystal polymer technology is proposed.Fractional bandwidth of the bandpass filter is 20%,operating at a center frequency of 500 MHz.In order to further reduce the size and improve the performance of the proposed filter,defected ground structure(DGS)has been implemented in the filter.Based on this structure,the volume of the inductor is reduced by 60%eficiently compared with the inductor without DGS,and the Q-factor is increased up to 257%compared with the traditional multilayer spiral inductor.The measured results indicate that the designed filter has a very sharp stopband,an insertion loss of 2.3dB,and a return loss of 18.6dB in the passband.The whole volume of the fabricated filter is 0.032入_(g)×0.05入_(g)×0.00075入_(g),where Ag is the guided wavelength of the center frequency.The proposed filter is easily integrated into radio-frequency/microwave circuitry at a low manufacturing cost,especially wireless communication.
文摘2-substituted-1-amino-o-carboranes 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10)(R=CH_(3),1a;R=Ph,1b)were synthesized and the reactions of these compounds with the yttrium dialkyl complex[Y(L)(CH_(2)SiMe3)_(2)](L=[2-(2,5-Me_(2)C_(4)H_(2)N)C_(6)H4NC(Ph)=NDipp]-,Dipp=2,6-iPr_(2)C_(6)H_(3))were investigated.The 1H NMR spectroscopy indicate that the reaction of ytrrium dialkyl complex with one equivalent of 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10) produce the mixture of ytrrium alkyl-amido complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))(CH_(2)SiMe3)](R=CH_(3),2a;R=Ph,2b)and bis(amido)complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))_(2)](R=CH_(3),3a;R=Ph,3b).The yttrium bridging imido complex[Y(L)(2-CH_(3)-1-N-o-C_(2)B_(10)H_(10))]_(2)(4a)was obtained by heating the mixture at 55℃for 12 h.Complex 3a was isolated and characterized by treating the yttrium dialkyl complex with two equivalents of 1a.The structures of complexes 3a and 4a were verified by single-crystal Xray diffraction.CCDC:2424136,3a;2424137,4a.
基金supported by the National Natural Science Foundation of China(Nos.U23A20583,52033005,U21A2090,and 52173040)Department of Science and Technology of Sichuan Province(No.2024NSFTD0003)。
文摘Poly(_(L)-lactide)(PLLA),a leading biodegradable polyester,has demonstrated potential as a sustainable alternative,owing to its excellent biodegradability and rigidity.However,their slow crystallization kinetics and poor heat resistance limit their application scope.Recent advances have highlighted that the combination of extensional flow and thermal fields can achieve toughness–stiffness balance,high transparency,and good heat resistance.However,the effect of extensional flow on the post-non-isothermal crystallization of PLLA during heating and the resulting crystalline texture remains unclear.In this study,PLLA with a heterogeneous amorphous structure and oriented polymorph was prepared by extensional flow.The effect of heterogeneous amorphous structures on non-isothermal crystallization kinetics during the heating process was studied by thermal analysis,polarized optical microscopy,infrared spectroscopy,and ex situ/in situ X-ray characterization.These results clearly illustrate that extensional flow enhances the formation of oriented crystalline structures,accelerates non-isothermal crystallization,and modulates the polymorphic composition of PLLA.Moreover,an unexpected dual cold-crystallization behavior is identified in ordered PLLA samples upon extensional flow,which is from the extensional flow-induced heterogeneous amorphous phase into α' phase(low-temperature peak)and the pristine amorphous phase intoαphase(high-temperature peak).The extensional flow primarily promotes the formation of the more perfectαandα'phases,but has a negative effect on the final content ofαphase formed after cold crystallization andα'-to-αphase transformation.The findings of this work advance the understanding of PLLA non-isothermal crystallization after extensional flow and offer valuable guidance for high-performance PLLA upon heat treatment in practical processing.
基金supported by National Natural Science Foundation of China(No.52202366)Taishan Scholar Project of Shandong Province(tstp20240515,tsqn202312217)+1 种基金Natural Science Foundation of Shandong Province(China,No.2025HWYQ-050,ZR2021QE011,ZR2022QH072,ZR2021QE284)the King Abdullah University of Science and Technology,the Center of Excellence for Renewable Energy and Storage Technologies.
文摘For emerging renewable and sustainable energy technologies,single crystal materials have become key materials to enhance electrocatalytic performance because of their atomic-level ordered structures and tailorable surface and interfacial properties.Various single crystal types,including metals,semiconductors,ceramics,organics,and nanocrystals,exhibit superior catalytic selectivity and stability in reactions such as water splitting and carbon/nitrogen cycles,benefiting from high electrical conductivity,tunable energy bands,and active sites with high surface energy.Through surface modification,interfacial atomic doping,and heterostructure construction,the distribution of active sites,electronic structure,and mass transport can be precisely regulated,significantly optimizing the catalytic kinetics of single crystal materials.In situ characterizations elucidate catalytic mechanisms at the atomic scale,while emerging methods like AI-assisted synthesis and bio-template directed growth offer pathways to overcome bottlenecks in the precision and cost of single crystal preparation.In addressing stability challenges in complex environments,strategies such as organic-inorganic hybridization and gradient interface design effectively mitigate interfacial instability.Future research should focus on cross-scale structural regulation and multidisciplinary integration to facilitate the transition of single crystal electrocatalysts from fundamental research to industrial applications,enabling efficient energy conversion.
