Aqueous zincion capacitors(ZICs)have significant potential as energy storage systems because of their high specific capacity and superior reliability.Heteroatom-doped carbon materials were known to substantially incre...Aqueous zincion capacitors(ZICs)have significant potential as energy storage systems because of their high specific capacity and superior reliability.Heteroatom-doped carbon materials were known to substantially increase the capacitance of ZICs,however the mechanism remains poorly understood.Coal-based activated carbon was functionalized with B and N to serve as the cathode material in ZICs.This modification gave the material a high specific capacity of 371.4 mAh g^(-1)at 1 A g^(-1)and it retained 74%of its initial capacity after 10000 cycles.Experimental results and density functional theory calculations revealed that pyridinic N plays a crucial role in increasing Zn^(2+)storage,demonstrating superior electrochemical reversibility.This work gives valuable insight into the design of high-capacity and ultrafast pseudocapacitive carbon cathodes for ZICs.展开更多
For the quantitative analysis of lube oil base oil components,three oil components,mineral oil(KN4010),hydrocarbon-based synthetic oil(PAO40),and synthetic ester(PriEco 3000)were selected as quantitative analysis obje...For the quantitative analysis of lube oil base oil components,three oil components,mineral oil(KN4010),hydrocarbon-based synthetic oil(PAO40),and synthetic ester(PriEco 3000)were selected as quantitative analysis objects,and then the mid-infrared spectral data of lube oil base oil samples formulated in different ratios were collected.The synergy interval partial least squares-binary grey wolf optimization algorithm(SiPLS-BGWO)combination optimization method was used to screen the characteristic wavenumbers in the full range to eliminate redundant invalid information and reduce the search space dimension.By optimizing the selection of characteristic wavenumbers,the SiPLS-BGWO approach not only enhanced the prediction accuracy but also demonstrated its ability to address challenges associated with overlapping spectral features in complex mixtures.The test results showed that the combined optimization model’s error indexes were significantly improved for the content prediction of mineral oil,hydrocarbonbased synthetic oil,and polyol ester.The RMSE(root mean square error)was reduced by up to 60.58% compared to using all spectral wavenumbers,and the fit indexes’R^(2) values were higher than 99%.The significant reduction in RMSE underscored the method’s capability to identify and eliminate irrelevant or noisy spectral information,ensuring that the predictive model focused only on relevant features.In addition,the SiPLS-BGWO method had reduced the number of characteristic wavenumbers to less than 40,significantly reducing the operational burden and effectively improving the accuracy and applicability of the quantitative analysis model for multi-matter components.The ability to reduce the number of characteristic wavenumbers to below 40 demonstrated the algorithm’s efficiency in dimensionality reduction while retaining essential predictive information.The results affirmed that the SiPLS-BGWO model was a powerful tool for predictive modeling,providing a balance between accuracy and efficiency in the quantitative analysis of multicomponent systems.And a novel framework for bridging the gap between spectral data complexity and actionable chemical insights,setting a precedent for future developments in the field.展开更多
Two isostructural coordination polymers[Zn(L)(HCOO)]n(Zn-LFor)and[Zn(L)Cl]n(Zn-LCl)were synthesized by a hydrothermal method based on HL·NaX(HL=2-{[(pyridin-4-yl)methyl]amino}-3,3-dimethylbutanoic acid,X-=HCOO^(-...Two isostructural coordination polymers[Zn(L)(HCOO)]n(Zn-LFor)and[Zn(L)Cl]n(Zn-LCl)were synthesized by a hydrothermal method based on HL·NaX(HL=2-{[(pyridin-4-yl)methyl]amino}-3,3-dimethylbutanoic acid,X-=HCOO^(-),Cl^(-)).Zn-LFor and Zn-LCl belong to the orthorhombic system with space group P2_(1)2_(1)2_(1),which exhibit distorted square pyramidal structures.Interestingly,the values of the trigonality factor(τ5)are distinctively different.Zn-LCl has aτ5 value of 0.144,while the value ofτ5 for Zn-LFor is only 0.089.Zn-LFor displayed an excellent fluorescence property,which can be used as a fluorescence probe to detect Cr_(2)O_(7)^(2-)in H2O solution with high selectivity and sensitivity,with a quenching constant(KSV)of 2.23×10^(4) L·mol^(-1).The detection limit of Cr_(2)O_(7)^(2-)was calculated from the experimental data,and the value was 1.03μmol·L^(-1).CCDC:2503298,Zn-LFor;2503302,Zn-LCl.展开更多
Two new complexes,[Zn_(2)(L1)(HL1)(NO_(3))]·CH_(3)OH(1)and[Zn_(3)(L2)(L3)_(3)Cl]·CH_(3)OH(2),were successfully synthesized by‘one-pot’method based on cinnoline-3-ylhydrazine ligand and zinc with 2-hydroxy-...Two new complexes,[Zn_(2)(L1)(HL1)(NO_(3))]·CH_(3)OH(1)and[Zn_(3)(L2)(L3)_(3)Cl]·CH_(3)OH(2),were successfully synthesized by‘one-pot’method based on cinnoline-3-ylhydrazine ligand and zinc with 2-hydroxy-4-methoxybenzaldehyde and 2-hydroxy-3-methoxybenzaldehyde ligands,respectively,where H_(2)L1=5-methoxy-2-(phthalazin-1-ylhydrazonomethyl)-phenol,H_(2)L2=2-methoxy-6-(phthalazin-1-yl-hydrazonomethyl)-phenol,HL3=2-(1,8-dihydro-[1,2,4]triazolo[3,4-α]phthalazin-3-yl)-6-methoxy-phenol.Complexes 1 and 2 were characterized by infrared spectroscopy,elemental analysis,single-crystal X-ray diffraction,powder X-ray diffraction,etc.It is worth noting that the cinnolin-3-yl-hydrazine ligand and 2-hydroxy-3-methoxybenzaldehyde form two types of Schiff bases(H_(2)L2 and HL3)when in situ reacting and coordinating with Zn(Ⅱ),and HL3 also has two coordination modes.In addition,the fluorescence performance showed that complex 1 can achieve selective and sensitive sensing of Al^(3+)in water with a detection limit of 6.37μmol·L^(-1).CCDC:2413978,1;2413979,2.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 tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in...A tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in detail.Xray diffraction analysis shows that complex 1 belongs to the monoclinic crystal system and its space group is P2_1/n,which contains a rhombic Dy_(4)core.Magnetic measurements of 1 suggest it possesses extraordinary single-molecule magnet(SMM)behavior.Its energy barrier U_(eff)/k_(B)was 116.7 K,and the pre-exponential coefficient τ_(0)=1.05×10~(-8)s.CCDC:2359322.展开更多
Because of an unfortunate mistake by authors,the Project(5227010679)of Foundation item was wrong.The corrected Project is shown as follows:Project(52271073).
文摘Aqueous zincion capacitors(ZICs)have significant potential as energy storage systems because of their high specific capacity and superior reliability.Heteroatom-doped carbon materials were known to substantially increase the capacitance of ZICs,however the mechanism remains poorly understood.Coal-based activated carbon was functionalized with B and N to serve as the cathode material in ZICs.This modification gave the material a high specific capacity of 371.4 mAh g^(-1)at 1 A g^(-1)and it retained 74%of its initial capacity after 10000 cycles.Experimental results and density functional theory calculations revealed that pyridinic N plays a crucial role in increasing Zn^(2+)storage,demonstrating superior electrochemical reversibility.This work gives valuable insight into the design of high-capacity and ultrafast pseudocapacitive carbon cathodes for ZICs.
文摘For the quantitative analysis of lube oil base oil components,three oil components,mineral oil(KN4010),hydrocarbon-based synthetic oil(PAO40),and synthetic ester(PriEco 3000)were selected as quantitative analysis objects,and then the mid-infrared spectral data of lube oil base oil samples formulated in different ratios were collected.The synergy interval partial least squares-binary grey wolf optimization algorithm(SiPLS-BGWO)combination optimization method was used to screen the characteristic wavenumbers in the full range to eliminate redundant invalid information and reduce the search space dimension.By optimizing the selection of characteristic wavenumbers,the SiPLS-BGWO approach not only enhanced the prediction accuracy but also demonstrated its ability to address challenges associated with overlapping spectral features in complex mixtures.The test results showed that the combined optimization model’s error indexes were significantly improved for the content prediction of mineral oil,hydrocarbonbased synthetic oil,and polyol ester.The RMSE(root mean square error)was reduced by up to 60.58% compared to using all spectral wavenumbers,and the fit indexes’R^(2) values were higher than 99%.The significant reduction in RMSE underscored the method’s capability to identify and eliminate irrelevant or noisy spectral information,ensuring that the predictive model focused only on relevant features.In addition,the SiPLS-BGWO method had reduced the number of characteristic wavenumbers to less than 40,significantly reducing the operational burden and effectively improving the accuracy and applicability of the quantitative analysis model for multi-matter components.The ability to reduce the number of characteristic wavenumbers to below 40 demonstrated the algorithm’s efficiency in dimensionality reduction while retaining essential predictive information.The results affirmed that the SiPLS-BGWO model was a powerful tool for predictive modeling,providing a balance between accuracy and efficiency in the quantitative analysis of multicomponent systems.And a novel framework for bridging the gap between spectral data complexity and actionable chemical insights,setting a precedent for future developments in the field.
文摘Two isostructural coordination polymers[Zn(L)(HCOO)]n(Zn-LFor)and[Zn(L)Cl]n(Zn-LCl)were synthesized by a hydrothermal method based on HL·NaX(HL=2-{[(pyridin-4-yl)methyl]amino}-3,3-dimethylbutanoic acid,X-=HCOO^(-),Cl^(-)).Zn-LFor and Zn-LCl belong to the orthorhombic system with space group P2_(1)2_(1)2_(1),which exhibit distorted square pyramidal structures.Interestingly,the values of the trigonality factor(τ5)are distinctively different.Zn-LCl has aτ5 value of 0.144,while the value ofτ5 for Zn-LFor is only 0.089.Zn-LFor displayed an excellent fluorescence property,which can be used as a fluorescence probe to detect Cr_(2)O_(7)^(2-)in H2O solution with high selectivity and sensitivity,with a quenching constant(KSV)of 2.23×10^(4) L·mol^(-1).The detection limit of Cr_(2)O_(7)^(2-)was calculated from the experimental data,and the value was 1.03μmol·L^(-1).CCDC:2503298,Zn-LFor;2503302,Zn-LCl.
文摘Two new complexes,[Zn_(2)(L1)(HL1)(NO_(3))]·CH_(3)OH(1)and[Zn_(3)(L2)(L3)_(3)Cl]·CH_(3)OH(2),were successfully synthesized by‘one-pot’method based on cinnoline-3-ylhydrazine ligand and zinc with 2-hydroxy-4-methoxybenzaldehyde and 2-hydroxy-3-methoxybenzaldehyde ligands,respectively,where H_(2)L1=5-methoxy-2-(phthalazin-1-ylhydrazonomethyl)-phenol,H_(2)L2=2-methoxy-6-(phthalazin-1-yl-hydrazonomethyl)-phenol,HL3=2-(1,8-dihydro-[1,2,4]triazolo[3,4-α]phthalazin-3-yl)-6-methoxy-phenol.Complexes 1 and 2 were characterized by infrared spectroscopy,elemental analysis,single-crystal X-ray diffraction,powder X-ray diffraction,etc.It is worth noting that the cinnolin-3-yl-hydrazine ligand and 2-hydroxy-3-methoxybenzaldehyde form two types of Schiff bases(H_(2)L2 and HL3)when in situ reacting and coordinating with Zn(Ⅱ),and HL3 also has two coordination modes.In addition,the fluorescence performance showed that complex 1 can achieve selective and sensitive sensing of Al^(3+)in water with a detection limit of 6.37μmol·L^(-1).CCDC:2413978,1;2413979,2.
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 tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in detail.Xray diffraction analysis shows that complex 1 belongs to the monoclinic crystal system and its space group is P2_1/n,which contains a rhombic Dy_(4)core.Magnetic measurements of 1 suggest it possesses extraordinary single-molecule magnet(SMM)behavior.Its energy barrier U_(eff)/k_(B)was 116.7 K,and the pre-exponential coefficient τ_(0)=1.05×10~(-8)s.CCDC:2359322.
文摘Because of an unfortunate mistake by authors,the Project(5227010679)of Foundation item was wrong.The corrected Project is shown as follows:Project(52271073).
