On the basis of Hauser-Feshbach theory and some approximations,parametrized formulae of isomeric cross section ratio including two adjustableparameters for(n,t)reaction at 14.6MeV are derived.By fitting these formulae...On the basis of Hauser-Feshbach theory and some approximations,parametrized formulae of isomeric cross section ratio including two adjustableparameters for(n,t)reaction at 14.6MeV are derived.By fitting these formulae to theavailable measured data,parameters are obtained and the systematic behaviour of theisomeric cross section ratio are studied.The isomeric cross section ratio predicted by thepresent work is in good agreement with the limited measured data.展开更多
The ^(nat)Mo(γ,xnp)^(95m,g)Nb photonuclear reaction was studied using the electron beam from the NSC KIPT linear accelerator LUE-40.The experiment was performed using the activation and off-line γ-ray spectrometric ...The ^(nat)Mo(γ,xnp)^(95m,g)Nb photonuclear reaction was studied using the electron beam from the NSC KIPT linear accelerator LUE-40.The experiment was performed using the activation and off-line γ-ray spectrometric technique.The experimental isomeric yield ratio(IR) was determined for the reaction products ^(95m,g)Nb at the bremsstrahlung end-point energy E_(γmax) range of 38-93 MeV.The obtained values of IR are in satisfactory agreement with the results of other studies and extend the range of previously known data.The theoretical values of the yields Y_(m,g)(E_(γmax)) and the IR for the isomeric pair ^(95m,g)Nb from the ^(nat)Mo(γ,xnp) reaction were calculated using the partial cross-sections σ(E) from the TALYS1.95 code for six different level density models.For the investigated range of E_(γmax),the theoretical dependence of IR on energy was confirmed-the IR smoothly increases with increasing energy.The comparison showed a noticeable difference(more than 3.85 times) in the experimental IR relative to all theoretical estimates.展开更多
Electrolytes hold the key to realizing reliable zinc(Zn)anodes.Divergent organic molecules have been proven effective in stabilizing Zn anodes;however,irrational comparisons exist due to the uncontrolled molecular wei...Electrolytes hold the key to realizing reliable zinc(Zn)anodes.Divergent organic molecules have been proven effective in stabilizing Zn anodes;however,irrational comparisons exist due to the uncontrolled molecular weights and functional group amounts.In this work,two“isomeric molecules”:1,2-dimethoxyethane(DME)and 1-methoxy-2-propanol(PM),with identical molecular weights but different functional groups,have been studied as co-solvents in electrolytes,which have delivered distinct electrochemical performance.Experimental and simulative study indicates the dipole moment induced by the hydroxyl groups in PM(higher molecular polarity than ether groups in DME)reconstructs the space charge region,enhances the concentration of Zn^(2+)in the vicinity of Zn anodes,and in-situ derives different solid electrolyte interphase(SEI)models and electrode-electrolyte interfaces,resulting in exceptional cycling stability.Remarkably,the Zn||Cu cell with PM worked over 2000 cycles with high Coulombic efficiency(CE)of 99.7%.The Zn||Zn symmetric cell cycled over 2000 h at 1 mA·cm^(−2),and showed excellent stability at an ultrahigh current density of 10 mA·cm^(−2)and capacity of 20 mAh·cm^(−2)over 200 h(depth of discharge,DOD of 70%).The Zn||sodium vanadate pouch cell with a high mass loading of 6.3 mg·cm^(−2)and a high capacity of 24 mAh demonstrates superior cyclability after 570 h.This work can be a good starting point to provide reliable guidance on electrolyte design for practical aqueous Zn batteries.展开更多
It remains elusive to realize the distinct catalysis of isomeric catalysts because it becomes challenging to identify structural isomers in the polydisperse nanoparticles.Herein we investigate catalysis of two geometr...It remains elusive to realize the distinct catalysis of isomeric catalysts because it becomes challenging to identify structural isomers in the polydisperse nanoparticles.Herein we investigate catalysis of two geometric isomers for 36-gold-atom nanoclusters with different Au cores arrangements but the same thiolate ligands,thereby providing access to isomer catalysts readily participate in a desired reaction.Compared to the Au_(36)(SR)_(24)with a one-dimensional(1D)layout of Au4 tetrahedral units,the Au_(36)(SR)_(24)with a two-dimensional(2D)layout of Au4 tetrahedral units is more effective for the intramolecular hydroamination of alkyne.Our study suggests that the exposed Au sties of the two Au_(36)(SR)_(24)catalysts favor different reaction intermediates and pathways.The intramolecular H transfer leads to intermediates with the C-N and with C=N for the 1D and 2D Au_(36)(SR)_(24)respectively,and hence the different on-site and off-site pathways for the successive reaction steps account for the different performances of the two Au_(36)(SR)_(24)catalysts.展开更多
We present here a series of perylene diimide(PDI)based isomeric conjugated polymers for the application as efficient electron acceptors in all-polymer solar cells(all-PSCs).By copolymerizing PDI monomers with 1,4-diet...We present here a series of perylene diimide(PDI)based isomeric conjugated polymers for the application as efficient electron acceptors in all-polymer solar cells(all-PSCs).By copolymerizing PDI monomers with 1,4-diethynylbenzene(para-linkage)and 1,3-diethynylbenzene(meta-linkage),isomeric PDI based conjugated polymers with parallel and non-parallel PDI units inside backbones were obtained.It was found that para-linked conjugated polymer(PA)showed better solubility,strongerπ-πstacking,more favorable blend morphology,and better photovoltaic performance than those of meta-linked conjugated polymers(PM)did.Device based on PTB7-Th:PA(PTB7-Th:poly{4,8-bis[5-(2-ethylhexyl)-thiophen-2-yl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl-alt-3-fluoro-2-[(2-ethylhexyl)-carbonyl]thieno[3,4-b]thiophene-4,6-diyl})showed significantly enhanced photovoltaic performance than that of PTB7-Th:MA(3.29%versus 0.92%).Moreover,the photovoltaic performance of these polymeric acceptors could be further improved via a terpolymeric strategy.By copolymerizing a small amount of meta-linkages into PA,the optimized terpolymeric acceptors enabled to enhance photovoltaic performance with improved the short-circuit current density(Jsc)and fill factor(FF),resulting in an improved power conversion efficiency(PCE)of 4.03%.展开更多
The isomeric structures,isomerization and decomposition of silylenoids H2SiMX (MX= KF,KCI,LiBr,NaBr and KBr) have been investigated by 06 initio molecular orbital theory.These silylenoids have four kinds of very simil...The isomeric structures,isomerization and decomposition of silylenoids H2SiMX (MX= KF,KCI,LiBr,NaBr and KBr) have been investigated by 06 initio molecular orbital theory.These silylenoids have four kinds of very similar equilibrium structures.The three-membered ring and p-complex structures should be stable and experimentally detectable.The lifetime of o-complex and tetrahedral structures would be very short and experimentally undetectable.展开更多
The photoneutron reaction^(18)Ta(y,3m)(178m,g)Ta was investigated with the beam from the NSC KIPT electron linear accelerator LUE-40.The measurements were performed using the residual y-activity method.The bremsstrahl...The photoneutron reaction^(18)Ta(y,3m)(178m,g)Ta was investigated with the beam from the NSC KIPT electron linear accelerator LUE-40.The measurements were performed using the residual y-activity method.The bremsstrahlung flux-averaged cross sections((E_(γmax))>.(r(E_(γmax))>m.<r(E_(γmax))g and the isomerie ratio of the re-action products d(E_(γmax))were measured.The theoretical values of the averaged cross-sections and isomeric ratio were calculated using the partial cross-sections from the TALYS1.95 code for different level density models LD 1-6..The obtained experimental d(E_(γmax))agree with the data in the lterature,but differ from the theoretical values in ab-solute magnitude and the behavior of the energy dependence.A comparison of the determined averaged cross-sec-tions with the calculated cross sections showed the best agreement for the case of the LD 5 model.展开更多
In this work two isomeric semi-rigid multi-carboxylate ligands 3,5-bi(3-carboxyphenoxy)benzoic acid(3-H_3BCP), 3,5-bi(4-carboxyphenoxy)benzoic acid(4-H_(3)BCP) and two rigid ligands(bis-triazole 4-(4-(4H-1,2,4-triazol...In this work two isomeric semi-rigid multi-carboxylate ligands 3,5-bi(3-carboxyphenoxy)benzoic acid(3-H_3BCP), 3,5-bi(4-carboxyphenoxy)benzoic acid(4-H_(3)BCP) and two rigid ligands(bis-triazole 4-(4-(4H-1,2,4-triazol-4-yl)phenyl)-4 H-1,2,4-triazole(L^(1)), 2-(1H-pyrazol-3-yl)pyrazine(L^(2))) have been employed to react with Cd(Ⅱ) salts under similar solvothermal reactions. Two novel Cd(Ⅱ) mixed-ligand coordination polymers, namely, {[Cd_3(3-BCP)_(2)(L^(1))]·3H_(2)O}n(1) and [Cd(4-HBCP)(L^(2))]_n(2), have been isolated. 1 displays a rare 2D cluster-based network while 2 displays a 3D supramolecular network through weak interactions. Solid-state luminescent properties and thermal analyses of 1 and 2 also have been determined, indicating strong fluorescent emissions and good thermal stabilities. Different coordination modes of two semi-rigid multi-carboxylate ligands and L^(1) and L^(2) also have been briefly discussed, which also reveal the great potential in the construction of these novel mixed-ligand luminescent frameworks with diverse structural motifs and unique functional properties.展开更多
The transformation of aldose to ketose or common sugars into rare saccharides,including rare ketoses and aldoses,is of great value and interest to the food industry and for saccharidic biomass utilization,medicine,and...The transformation of aldose to ketose or common sugars into rare saccharides,including rare ketoses and aldoses,is of great value and interest to the food industry and for saccharidic biomass utilization,medicine,and the synthesis of drugs.Nowadays,high-fructose corn syrup(HFCS)is industrially produced in more than 10 million tons annually using immobilized glucose isomerase.Some low-calorie saccharides such as tagatose and psicose,which are becoming popular sweeteners,have also been produced on a pilot scale in order to replace sucrose and HFCS.However,current catalysts and catalytic processes are still difficult to utilize in biomass conversion and also have strong substrate dependence in producing high-value,rare sugars.Considering the specific reaction properties of saccharides and catalysts,since the pioneering discovery by Fischer,various catalysts and catalytic systems have been discovered or developed in attempts to extend the reaction pathways,improve the reaction efficiency,and to potentially produce commercial products.In this review,we trace the history of sugar isomerization/epimerization reactions and summarize the important breakthroughs for each reaction as well as the difficulties that remain unresolved to date.展开更多
The isomeric ratio of^(184m,g)Re and the half-life of^(184g)Re were measured in the ^(185)Re(n,2n)^(184)Re reaction at 14.8 MeV,and the uncertainty was discussed in detail.The measurements were performed using the act...The isomeric ratio of^(184m,g)Re and the half-life of^(184g)Re were measured in the ^(185)Re(n,2n)^(184)Re reaction at 14.8 MeV,and the uncertainty was discussed in detail.The measurements were performed using the activation method implemented for a rhenium sample using the K-400 neutron generator at the Chinese Academy of Engineering Physics(CAEP).Isomeric state and ground state nuclei of ^(184)Re were identified by their γ-ray spectra.To eliminate the effect of the γ-ray emitted from the isomer on the counting of the ground state characteristic peaks,the isomeric ratio of^(184m,g)Re was calculated to be 0.29±0.11 according to the neutron activation cross-section formula.This result is consistent with previous data within the uncertainty and can be used to determine parameters that characterize the dependence of the level density on the excitation energy and angular momentum.Through exponential function fitting and a detailed discussion of the uncertainty evaluation,the half-life of^(184g)Re was determined as 35.43±0.16 d,which is consistent with the currently recommended value;however,the uncertainty assessment of the latter was barely documented.In addition,this study indicates that the half-life of the ground state can be obtained by eliminating the contamination of γ-rays emitted from the isomer,which provides the possibility of determining the half-lives of nuclides containing isomers.展开更多
The Pleurotus florida is recognized as a medicinal and edible mushroom and the present study intends to reveal the active isomeric molecules from this mushroom.The P.florida was cultivated using different nutrient sup...The Pleurotus florida is recognized as a medicinal and edible mushroom and the present study intends to reveal the active isomeric molecules from this mushroom.The P.florida was cultivated using different nutrient supplements:groundnut husk,maize powder,horse gram powder and coconut oil-cake powder.Horse gram supplement showed the higher mushroom yield and henceit was used for the cultivation of P.florida.Methanolic extract of P.florida was found to be efficient in antioxidant activity among ethanol,aqueous,ethyl acetate and hexane extracts.The bioactive fraction 3-methoxy-4-hydroxy cinnamic acid(PF5)was isolated and purified from the methanolic extract of P.florida by column chromatography,thin layer chromatography(TLC)and gas chromatography-mass spectrum(GC-MS)and further it was characterized by Nuclear magnetic resonance(NMR).The PF5 was tested for its DPPH and reducing power assays,and the IC_(50) values were found to be 21.7μg/mL and 105μg/mL,respectively.We found that the cytotoxic effect of 3-methoxy-4-hydroxy cinnamic acid was tested against the lung cancer cell line using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide(MTT),sulphorodamine B(SRB)and trypan blue assays which exhibited a higher cytotoxic effect(CTC_(50),645μg/mL).These results suggested that 3-methoxy-4-hydroxy cinnamic acid from P.florida could be explored as a novel and potent natural antioxidant and cancer preventive agent,alternative to existing synthetic molecules.展开更多
The m/z of characteristic ion of the mass spectra of the dichlorocarbene derivatives of dodecen-1-ols was used as a parameter to locate the position of double bond in these isomers by a new formula.
Two novel Sn(Ⅱ) supramolecular isomeric frameworks,with the identical formula of {(NH2Me2)2[Sn(BDC)(SO4)]}n,Sn-CP-1-α(1) and Sn-CP-1-β(2)(H2BDC=terephthalic acid) were synthesized under solvothermal condition and f...Two novel Sn(Ⅱ) supramolecular isomeric frameworks,with the identical formula of {(NH2Me2)2[Sn(BDC)(SO4)]}n,Sn-CP-1-α(1) and Sn-CP-1-β(2)(H2BDC=terephthalic acid) were synthesized under solvothermal condition and fully characterized by single crystal X-ray diffraction(SCXRD),Fourier transform infrared spectroscopy(FTIR),ultraviolet-visible spectroscopy(UVVis),elemental analyses,and thermogravimetric analysis(TGA).Interestingly,the structures of 1 and 2 are governed by the temperature of the reaction,suggesting a temperature-induced supramolecular isomerism.The supramolecular isomers are primarily caused by the different bridging alignments of SO42–.Compounds 1 and 2 display 2 D layer and 3 D framework with different topologies,non-interpenetrated 44-sql and two-fold interpenetrated 4-connected dia topology,respectively.Due to Lewis acid properties of coordinatively unsaturated Sn(Ⅱ) sites in CPs,they have been utilized as heterogeneous catalyst for the cyanosilylation of aldehydes with an excellent conversion yield over 99% under solvent-free conditions.展开更多
The proliferation of adulterated health foods and beverages in the market demands a comprehensive analytical strategy to identify the adulterants,particularly those of isomeric phosphodiesterase 5(PDE5)inhibitors.An i...The proliferation of adulterated health foods and beverages in the market demands a comprehensive analytical strategy to identify the adulterants,particularly those of isomeric phosphodiesterase 5(PDE5)inhibitors.An instant coffee premix(ICP)purchased from an online retailer was flagged for suspected adulteration through PDE5 inhibition assay.The ICP was then analysed using suspected-target and non-targeted screenings of a liquid chromatography-quadrupole time-of-flight mass spectrometry.Based on these findings,a PDE5 inhibitor initially assigned as compound X was isolated from the ICP by employing a liquid chromatography-diode array detection before its structural elucidation with liquid chromatography-ultraviolet(LC-UV)spectroscopy and nuclear magnetic resonance(NMR)spectroscopy.The suspected-target screening matched the protonated molecule([MþH]þ)precursor ion of compound X at m/z 499.2310 with two suspected analytes that are structural isomers of one another.The fragmentation patterns of compound X were comparable to those analogues in the dithiocarbodenafil group through the non-targeted screening.These findings,complemented by the LC-UV and NMR spectroscopy data,together with the chromatographic separation of related structural isomers,conclude the identity of compound X.To our best knowledge,this is the first study to report the presence of 3,5-dimethylpiperazinyl-dithiodesmethylcarbodenafil in an ICP sample.展开更多
A lead-shielded HPGe detector and offlineγ-ray spectra of the residual product were used to measure the cross section(CS)and ratios of isomeric CS(σm/σg)in^(134)Xe(n,2n)^(133m),gXe reactions at different energies(1...A lead-shielded HPGe detector and offlineγ-ray spectra of the residual product were used to measure the cross section(CS)and ratios of isomeric CS(σm/σg)in^(134)Xe(n,2n)^(133m),gXe reactions at different energies(13.5 MeV,13.8 MeV,14.1 MeV,14.4 MeV,14.8 MeV)relative to the^(93)Nb(n,2n)^(92)mNb reaction CS.The target was high-purity natural Xe gas under high pressure.The T(d,n)4He reaction produces neutrons.TALYS code(version 1.95)for nuclear reactions was used for calculations,with default parameters and nuclear level density models.The uncertainties in the measured CS data were thoroughly analyzed using the covariance analysis method.The results were compared with theoretical values,evaluation data,and previous experimental findings.CS data of the 134Xe(n,2n)133mXe and 134Xe(n,2n)133gXe reactions and the corresponding isomeric CS ratios at 13.5 MeV,13.8 MeV,and 14.1 MeV neutron energies are reported for the first time.This research advances our knowledge of pre-equilibrium emission in the(n,2n)reaction channel by resolving inconsistencies in the Xe data.展开更多
Thorium-229 possesses the lowest first nuclear excited state,with an energy of approximately 8 eV.The extremely narrow linewidth of the first nuclear excited state,with an uncertainty of 53 THz,prevents direct laser e...Thorium-229 possesses the lowest first nuclear excited state,with an energy of approximately 8 eV.The extremely narrow linewidth of the first nuclear excited state,with an uncertainty of 53 THz,prevents direct laser excitation and realization of the nuclear clock.We present a proposal using the Coulomb crystal of a linear chain formed by229Th^(3+)ions,where the nuclei of229Th3+ions in the ion trap are excited by the electronic bridge(EB)process.The 7 P1∕2state of the thorium-229 nuclear ground state is chosen for EB excitation.Using the two-level optical Bloch equation under experimental conditions,we calculate that 2 out of 36 prepared thorium ions in the Coulomb crystal can be excited to the first nuclear excited state,and it takes approximately 2 h to scan over an uncertainty of 0.22 eV.Taking advantage of the transition enhancement of EB and the long stability of the Coulomb crystal,the energy uncertainty of the first excited state can be limited to the order of 1 GHz.展开更多
In this study,we theoretically investigate the feasibility of using laser-wakefield accelerated(LWFA)electrons for the photonuclear measurement of nuclear isomers according to the characteristics of the electrons obta...In this study,we theoretically investigate the feasibility of using laser-wakefield accelerated(LWFA)electrons for the photonuclear measurement of nuclear isomers according to the characteristics of the electrons obtained from LWFA experiments conducted at the Compact Laser-Plasma Accelerator(CLAPA)laboratory.The experiments at the CLAPA show that a stable electron beam with an energy of 78-135 MeV and a charge of 300-600 pC can be obtained.The bremsstrahlung spectra were simulated using Geant4,which suggests that a bremsstrahlung source with a peak intensity of 10^(19) photons/s can be generated.Theoretical calculations of isomer production cross sections from the photonuclear reactions on six target nuclei,^(197)Au,^(180)Hf,^(159)Tb,^(115)In,^(103)Rh,and ^(90)Zr,were performed and compared with the available experimental data in EXFOR,which suggest that further experiments are required for a series of photonuclear reaction channels.Flux-averaged cross sections and isomer ratios(IR)resulting from such bremsstrahlung sources are theoretically deduced.The results suggest that IR measurements can be used to constrain nuclear components,such asγstrength function and optical model potential.In addition,the detection of the decay characteristics was evaluated with Geant4 simulations.The use of the LWFA electron beam and its bremsstrahlung for photonuclear studies involving nuclear isomers is anticipated.展开更多
Aims:Evidence is emerging that,in the setting of isomerism,the atrial and bronchial arrangement are not always concordant,nor are these patterns always harmonious with the arrangement of the abdominal organs.We aimed ...Aims:Evidence is emerging that,in the setting of isomerism,the atrial and bronchial arrangement are not always concordant,nor are these patterns always harmonious with the arrangement of the abdominal organs.We aimed to evaluate the concordance between these features in a cohort of patients with cardiac malformations in the setting of known isomerism,seeking to determine whether it was feasible to assess complexity on this basis,in this regard taking note of the potential value of bronchial as opposed to appendage morphology.Methods and Results:We studied 78 patients known to have isomerism of the bronchuses,43 with right and 35 with left isomerism.Appendage anatomy could be determined in 49 cases(63%),all but one of these being concordant with bronchial anatomy.When assessing abdominal features,in only 59 cases(76%)was splenic morphology in keeping with the thoracic findings.As expected,right isomerism was associated with greater complexity of cardiac malformations,with an odds ratio of 6.53,with confidence intervals from 2.2–19.3(p<0.001).The odds were slightly decreased with thoraco-abdominal disharmony,when lesions shown to carry higher risk were then found in the setting of left isomerism.Conclusion:Harmony is excellent between bronchial and appendage isomerism,but less so with the arrangement of the abdominal organs.Right isomerism in our cohort,was indicative of a sixfold increase in intracardiac complexity.When discordance was found between the systems,however,the cardiac anomalies were less typical of the anticipated findings for right vs.left isomerism of the appendages.展开更多
In-situ MgO-doped ordered mesoporous carbon(OMC@MgO)was fabricated by formaldehyde-free self-assembly method,in which biomass-derived tannin was used as carbon precursor replacing fossil-based phenolics,Mg^(2+)as both...In-situ MgO-doped ordered mesoporous carbon(OMC@MgO)was fabricated by formaldehyde-free self-assembly method,in which biomass-derived tannin was used as carbon precursor replacing fossil-based phenolics,Mg^(2+)as both cross-linker and precursor of catalytic sites.Up to~20 wt% MgO could be doped in the carbon skeleton with good dispersion retaining well-ordered mesoporous structures,while more MgO content(35 wt%)led to the failing in the formation of ordered mesoporous structure.The OMC@MgO possessed a high specific surface area(298.8 m^(2) g^(-1)),uniform pore size distribution(4.8 nm)and small crystallite size of MgO(1.73 nm)due to the confinement effect of ordered mesoporous structure.Using OMC@MgO as the heterogeneous catalyst,a maximum fructose yield of 32.4% with a selectivity up to 81.1%was achieved from glucose in water(90℃,60 min),which is much higher than that obtained using the MgO doped active carbon via conventional post-impregnation method(26.5%yield with 58.3% selectivity).Higher reaction temperature(>90℃)resulted in decrease of selectivity due to the formation of humins.The designed OMC@MgO displayed tolerant to high initial glucose concentrations(10 wt%)and could remain good recyclability without significant loss of activity for three cycles.展开更多
Drug adulteration and contamination are serious threats to human health therefore,their accurate monitoring is very important.Allopurinol(Alp)and theophylline(Thp)are commonly used drugs for the treatment of gout and ...Drug adulteration and contamination are serious threats to human health therefore,their accurate monitoring is very important.Allopurinol(Alp)and theophylline(Thp)are commonly used drugs for the treatment of gout and bronchitis,while their isomers hypoxanthine(Hyt)and theobromine(Thm)have no effect and affect the efficacy of the drug.In this work,the drug isomers of Alp/Hyt and Thp/Thm are simply mixed withα-,β-,γ-cyclodextrin(CD)and metal ions and separated using trapped ion mobility spectrometry-mass spectrometry(TIMS-MS).TIMS-MS results showed that Alp/Hyt and Thp/Thm isomers could interact with CD and metal ions and form corresponding binary or ternary complexes to achieve their TIMS separation.Different metal ions and CDs showed different separation effect for the isomers,among which Alp and Hyt could be successfully distinguished from the complexes of[Alp/Hyt+γ-CD+Cu–H]^(+)with separation resolution(RP–P)of 1.51;whereas Thp and Thm could be baseline separated by[Thp/Thm+γ-CD+Ca–H]^(+)with RP–P of 1.96.Besides,chemical calculations revealed that the complexes were in the inclusion forms,and microscopic interactions were somewhat different,making their mobility separation.Moreover,relative and absolute quantification was investigated with an internal standard to determine the precise isomers content,and good linearity(R^(2)>0.99)was obtained.Finally,the method was applied for the adulteration detection where different drugs and urine were analyzed.In addition,due to the advantages of fast speed,simple operation,high sensitivity,and no chromatographic separation required,the proposed method provides an effective strategy for the drug adulteration detection of isomers.展开更多
文摘On the basis of Hauser-Feshbach theory and some approximations,parametrized formulae of isomeric cross section ratio including two adjustableparameters for(n,t)reaction at 14.6MeV are derived.By fitting these formulae to theavailable measured data,parameters are obtained and the systematic behaviour of theisomeric cross section ratio are studied.The isomeric cross section ratio predicted by thepresent work is in good agreement with the limited measured data.
文摘The ^(nat)Mo(γ,xnp)^(95m,g)Nb photonuclear reaction was studied using the electron beam from the NSC KIPT linear accelerator LUE-40.The experiment was performed using the activation and off-line γ-ray spectrometric technique.The experimental isomeric yield ratio(IR) was determined for the reaction products ^(95m,g)Nb at the bremsstrahlung end-point energy E_(γmax) range of 38-93 MeV.The obtained values of IR are in satisfactory agreement with the results of other studies and extend the range of previously known data.The theoretical values of the yields Y_(m,g)(E_(γmax)) and the IR for the isomeric pair ^(95m,g)Nb from the ^(nat)Mo(γ,xnp) reaction were calculated using the partial cross-sections σ(E) from the TALYS1.95 code for six different level density models.For the investigated range of E_(γmax),the theoretical dependence of IR on energy was confirmed-the IR smoothly increases with increasing energy.The comparison showed a noticeable difference(more than 3.85 times) in the experimental IR relative to all theoretical estimates.
基金We acknowledge the financial support from the Open Research Fund of Songshan Lake Materials Laboratory(No.2021SLABFN04)the National Natural Science Foundation of China(Nos.22005207 and U20A20249)the Regional Innovation and Development Joint Fund,and the Science and Technology Program of Guangdong Province of China(No.2022A0505030028).
文摘Electrolytes hold the key to realizing reliable zinc(Zn)anodes.Divergent organic molecules have been proven effective in stabilizing Zn anodes;however,irrational comparisons exist due to the uncontrolled molecular weights and functional group amounts.In this work,two“isomeric molecules”:1,2-dimethoxyethane(DME)and 1-methoxy-2-propanol(PM),with identical molecular weights but different functional groups,have been studied as co-solvents in electrolytes,which have delivered distinct electrochemical performance.Experimental and simulative study indicates the dipole moment induced by the hydroxyl groups in PM(higher molecular polarity than ether groups in DME)reconstructs the space charge region,enhances the concentration of Zn^(2+)in the vicinity of Zn anodes,and in-situ derives different solid electrolyte interphase(SEI)models and electrode-electrolyte interfaces,resulting in exceptional cycling stability.Remarkably,the Zn||Cu cell with PM worked over 2000 cycles with high Coulombic efficiency(CE)of 99.7%.The Zn||Zn symmetric cell cycled over 2000 h at 1 mA·cm^(−2),and showed excellent stability at an ultrahigh current density of 10 mA·cm^(−2)and capacity of 20 mAh·cm^(−2)over 200 h(depth of discharge,DOD of 70%).The Zn||sodium vanadate pouch cell with a high mass loading of 6.3 mg·cm^(−2)and a high capacity of 24 mAh demonstrates superior cyclability after 570 h.This work can be a good starting point to provide reliable guidance on electrolyte design for practical aqueous Zn batteries.
基金supports from Fundamental Research Funds for the Central Universities,Programs for high-level entrepreneurial and innovative talents introduction of Jiangsu Province,and Scientific and Technological Innovation Foundation of Shunde Graduate School of USTB(No.BK19BE024).
文摘It remains elusive to realize the distinct catalysis of isomeric catalysts because it becomes challenging to identify structural isomers in the polydisperse nanoparticles.Herein we investigate catalysis of two geometric isomers for 36-gold-atom nanoclusters with different Au cores arrangements but the same thiolate ligands,thereby providing access to isomer catalysts readily participate in a desired reaction.Compared to the Au_(36)(SR)_(24)with a one-dimensional(1D)layout of Au4 tetrahedral units,the Au_(36)(SR)_(24)with a two-dimensional(2D)layout of Au4 tetrahedral units is more effective for the intramolecular hydroamination of alkyne.Our study suggests that the exposed Au sties of the two Au_(36)(SR)_(24)catalysts favor different reaction intermediates and pathways.The intramolecular H transfer leads to intermediates with the C-N and with C=N for the 1D and 2D Au_(36)(SR)_(24)respectively,and hence the different on-site and off-site pathways for the successive reaction steps account for the different performances of the two Au_(36)(SR)_(24)catalysts.
基金financially supported by the Ministry of Science and Technology of China (No. 2014CB643501)the National Natural Science Foundation of China (Nos. 21634004 and 51403070)+1 种基金the Foundation of Guangzhou Science and Technology Project (No. 201707020019)Zhi-Cheng Hu thanks the financial support from China Postdoctoral Science Foundation (No. 2017M622684)
文摘We present here a series of perylene diimide(PDI)based isomeric conjugated polymers for the application as efficient electron acceptors in all-polymer solar cells(all-PSCs).By copolymerizing PDI monomers with 1,4-diethynylbenzene(para-linkage)and 1,3-diethynylbenzene(meta-linkage),isomeric PDI based conjugated polymers with parallel and non-parallel PDI units inside backbones were obtained.It was found that para-linked conjugated polymer(PA)showed better solubility,strongerπ-πstacking,more favorable blend morphology,and better photovoltaic performance than those of meta-linked conjugated polymers(PM)did.Device based on PTB7-Th:PA(PTB7-Th:poly{4,8-bis[5-(2-ethylhexyl)-thiophen-2-yl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl-alt-3-fluoro-2-[(2-ethylhexyl)-carbonyl]thieno[3,4-b]thiophene-4,6-diyl})showed significantly enhanced photovoltaic performance than that of PTB7-Th:MA(3.29%versus 0.92%).Moreover,the photovoltaic performance of these polymeric acceptors could be further improved via a terpolymeric strategy.By copolymerizing a small amount of meta-linkages into PA,the optimized terpolymeric acceptors enabled to enhance photovoltaic performance with improved the short-circuit current density(Jsc)and fill factor(FF),resulting in an improved power conversion efficiency(PCE)of 4.03%.
基金Project supported by the National Natural Science Fundaion of China.
文摘The isomeric structures,isomerization and decomposition of silylenoids H2SiMX (MX= KF,KCI,LiBr,NaBr and KBr) have been investigated by 06 initio molecular orbital theory.These silylenoids have four kinds of very similar equilibrium structures.The three-membered ring and p-complex structures should be stable and experimentally detectable.The lifetime of o-complex and tetrahedral structures would be very short and experimentally undetectable.
文摘The photoneutron reaction^(18)Ta(y,3m)(178m,g)Ta was investigated with the beam from the NSC KIPT electron linear accelerator LUE-40.The measurements were performed using the residual y-activity method.The bremsstrahlung flux-averaged cross sections((E_(γmax))>.(r(E_(γmax))>m.<r(E_(γmax))g and the isomerie ratio of the re-action products d(E_(γmax))were measured.The theoretical values of the averaged cross-sections and isomeric ratio were calculated using the partial cross-sections from the TALYS1.95 code for different level density models LD 1-6..The obtained experimental d(E_(γmax))agree with the data in the lterature,but differ from the theoretical values in ab-solute magnitude and the behavior of the energy dependence.A comparison of the determined averaged cross-sec-tions with the calculated cross sections showed the best agreement for the case of the LD 5 model.
基金Scientific Research Project of Tianjin Education Commission(2018KJ250)National Natural Science Foundation of China(21501196)。
文摘In this work two isomeric semi-rigid multi-carboxylate ligands 3,5-bi(3-carboxyphenoxy)benzoic acid(3-H_3BCP), 3,5-bi(4-carboxyphenoxy)benzoic acid(4-H_(3)BCP) and two rigid ligands(bis-triazole 4-(4-(4H-1,2,4-triazol-4-yl)phenyl)-4 H-1,2,4-triazole(L^(1)), 2-(1H-pyrazol-3-yl)pyrazine(L^(2))) have been employed to react with Cd(Ⅱ) salts under similar solvothermal reactions. Two novel Cd(Ⅱ) mixed-ligand coordination polymers, namely, {[Cd_3(3-BCP)_(2)(L^(1))]·3H_(2)O}n(1) and [Cd(4-HBCP)(L^(2))]_n(2), have been isolated. 1 displays a rare 2D cluster-based network while 2 displays a 3D supramolecular network through weak interactions. Solid-state luminescent properties and thermal analyses of 1 and 2 also have been determined, indicating strong fluorescent emissions and good thermal stabilities. Different coordination modes of two semi-rigid multi-carboxylate ligands and L^(1) and L^(2) also have been briefly discussed, which also reveal the great potential in the construction of these novel mixed-ligand luminescent frameworks with diverse structural motifs and unique functional properties.
基金Financial support by Dual Initiative Project of Jiangsu Province and Changzhou University is gratefully acknowledgedSample analysis supported by Analysis and Testing Center,NERC Biomass of Changzhou University was also greatly acknowledged.
文摘The transformation of aldose to ketose or common sugars into rare saccharides,including rare ketoses and aldoses,is of great value and interest to the food industry and for saccharidic biomass utilization,medicine,and the synthesis of drugs.Nowadays,high-fructose corn syrup(HFCS)is industrially produced in more than 10 million tons annually using immobilized glucose isomerase.Some low-calorie saccharides such as tagatose and psicose,which are becoming popular sweeteners,have also been produced on a pilot scale in order to replace sucrose and HFCS.However,current catalysts and catalytic processes are still difficult to utilize in biomass conversion and also have strong substrate dependence in producing high-value,rare sugars.Considering the specific reaction properties of saccharides and catalysts,since the pioneering discovery by Fischer,various catalysts and catalytic systems have been discovered or developed in attempts to extend the reaction pathways,improve the reaction efficiency,and to potentially produce commercial products.In this review,we trace the history of sugar isomerization/epimerization reactions and summarize the important breakthroughs for each reaction as well as the difficulties that remain unresolved to date.
基金Supported by the National Natural Science Foundation of China(11975113)。
文摘The isomeric ratio of^(184m,g)Re and the half-life of^(184g)Re were measured in the ^(185)Re(n,2n)^(184)Re reaction at 14.8 MeV,and the uncertainty was discussed in detail.The measurements were performed using the activation method implemented for a rhenium sample using the K-400 neutron generator at the Chinese Academy of Engineering Physics(CAEP).Isomeric state and ground state nuclei of ^(184)Re were identified by their γ-ray spectra.To eliminate the effect of the γ-ray emitted from the isomer on the counting of the ground state characteristic peaks,the isomeric ratio of^(184m,g)Re was calculated to be 0.29±0.11 according to the neutron activation cross-section formula.This result is consistent with previous data within the uncertainty and can be used to determine parameters that characterize the dependence of the level density on the excitation energy and angular momentum.Through exponential function fitting and a detailed discussion of the uncertainty evaluation,the half-life of^(184g)Re was determined as 35.43±0.16 d,which is consistent with the currently recommended value;however,the uncertainty assessment of the latter was barely documented.In addition,this study indicates that the half-life of the ground state can be obtained by eliminating the contamination of γ-rays emitted from the isomer,which provides the possibility of determining the half-lives of nuclides containing isomers.
文摘The Pleurotus florida is recognized as a medicinal and edible mushroom and the present study intends to reveal the active isomeric molecules from this mushroom.The P.florida was cultivated using different nutrient supplements:groundnut husk,maize powder,horse gram powder and coconut oil-cake powder.Horse gram supplement showed the higher mushroom yield and henceit was used for the cultivation of P.florida.Methanolic extract of P.florida was found to be efficient in antioxidant activity among ethanol,aqueous,ethyl acetate and hexane extracts.The bioactive fraction 3-methoxy-4-hydroxy cinnamic acid(PF5)was isolated and purified from the methanolic extract of P.florida by column chromatography,thin layer chromatography(TLC)and gas chromatography-mass spectrum(GC-MS)and further it was characterized by Nuclear magnetic resonance(NMR).The PF5 was tested for its DPPH and reducing power assays,and the IC_(50) values were found to be 21.7μg/mL and 105μg/mL,respectively.We found that the cytotoxic effect of 3-methoxy-4-hydroxy cinnamic acid was tested against the lung cancer cell line using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide(MTT),sulphorodamine B(SRB)and trypan blue assays which exhibited a higher cytotoxic effect(CTC_(50),645μg/mL).These results suggested that 3-methoxy-4-hydroxy cinnamic acid from P.florida could be explored as a novel and potent natural antioxidant and cancer preventive agent,alternative to existing synthetic molecules.
基金Project supported by the National Natural Science Foundation of China (No. 29575190) and the Foundation of Bioorganee and Molecular Engineering Laboratory.
文摘The m/z of characteristic ion of the mass spectra of the dichlorocarbene derivatives of dodecen-1-ols was used as a parameter to locate the position of double bond in these isomers by a new formula.
基金supported by the National Natural Science Foundation of China(21822107,21571115,21827801,21671172)the Natural Science Foundation of Shandong Province(JQ201803,ZR2017MB061,ZR2017ZF003)+2 种基金the Taishan Scholar Project of Shandong Province of China(tsqn201812003)the Qilu Youth Scholar Funding of Shandong University and the Fundamental Research Funds of Shandong University(104.205.2.5)the State Key Laboratory of Pollution Control and Resource Reuse Foundation(PCRRF18019)
文摘Two novel Sn(Ⅱ) supramolecular isomeric frameworks,with the identical formula of {(NH2Me2)2[Sn(BDC)(SO4)]}n,Sn-CP-1-α(1) and Sn-CP-1-β(2)(H2BDC=terephthalic acid) were synthesized under solvothermal condition and fully characterized by single crystal X-ray diffraction(SCXRD),Fourier transform infrared spectroscopy(FTIR),ultraviolet-visible spectroscopy(UVVis),elemental analyses,and thermogravimetric analysis(TGA).Interestingly,the structures of 1 and 2 are governed by the temperature of the reaction,suggesting a temperature-induced supramolecular isomerism.The supramolecular isomers are primarily caused by the different bridging alignments of SO42–.Compounds 1 and 2 display 2 D layer and 3 D framework with different topologies,non-interpenetrated 44-sql and two-fold interpenetrated 4-connected dia topology,respectively.Due to Lewis acid properties of coordinatively unsaturated Sn(Ⅱ) sites in CPs,they have been utilized as heterogeneous catalyst for the cyanosilylation of aldehydes with an excellent conversion yield over 99% under solvent-free conditions.
文摘The proliferation of adulterated health foods and beverages in the market demands a comprehensive analytical strategy to identify the adulterants,particularly those of isomeric phosphodiesterase 5(PDE5)inhibitors.An instant coffee premix(ICP)purchased from an online retailer was flagged for suspected adulteration through PDE5 inhibition assay.The ICP was then analysed using suspected-target and non-targeted screenings of a liquid chromatography-quadrupole time-of-flight mass spectrometry.Based on these findings,a PDE5 inhibitor initially assigned as compound X was isolated from the ICP by employing a liquid chromatography-diode array detection before its structural elucidation with liquid chromatography-ultraviolet(LC-UV)spectroscopy and nuclear magnetic resonance(NMR)spectroscopy.The suspected-target screening matched the protonated molecule([MþH]þ)precursor ion of compound X at m/z 499.2310 with two suspected analytes that are structural isomers of one another.The fragmentation patterns of compound X were comparable to those analogues in the dithiocarbodenafil group through the non-targeted screening.These findings,complemented by the LC-UV and NMR spectroscopy data,together with the chromatographic separation of related structural isomers,conclude the identity of compound X.To our best knowledge,this is the first study to report the presence of 3,5-dimethylpiperazinyl-dithiodesmethylcarbodenafil in an ICP sample.
基金supported by the National Natural science Foundation of China(Nos.11875016,12165006).
文摘A lead-shielded HPGe detector and offlineγ-ray spectra of the residual product were used to measure the cross section(CS)and ratios of isomeric CS(σm/σg)in^(134)Xe(n,2n)^(133m),gXe reactions at different energies(13.5 MeV,13.8 MeV,14.1 MeV,14.4 MeV,14.8 MeV)relative to the^(93)Nb(n,2n)^(92)mNb reaction CS.The target was high-purity natural Xe gas under high pressure.The T(d,n)4He reaction produces neutrons.TALYS code(version 1.95)for nuclear reactions was used for calculations,with default parameters and nuclear level density models.The uncertainties in the measured CS data were thoroughly analyzed using the covariance analysis method.The results were compared with theoretical values,evaluation data,and previous experimental findings.CS data of the 134Xe(n,2n)133mXe and 134Xe(n,2n)133gXe reactions and the corresponding isomeric CS ratios at 13.5 MeV,13.8 MeV,and 14.1 MeV neutron energies are reported for the first time.This research advances our knowledge of pre-equilibrium emission in the(n,2n)reaction channel by resolving inconsistencies in the Xe data.
基金the National Natural Science Foundation of China(No.11804372).
文摘Thorium-229 possesses the lowest first nuclear excited state,with an energy of approximately 8 eV.The extremely narrow linewidth of the first nuclear excited state,with an uncertainty of 53 THz,prevents direct laser excitation and realization of the nuclear clock.We present a proposal using the Coulomb crystal of a linear chain formed by229Th^(3+)ions,where the nuclei of229Th3+ions in the ion trap are excited by the electronic bridge(EB)process.The 7 P1∕2state of the thorium-229 nuclear ground state is chosen for EB excitation.Using the two-level optical Bloch equation under experimental conditions,we calculate that 2 out of 36 prepared thorium ions in the Coulomb crystal can be excited to the first nuclear excited state,and it takes approximately 2 h to scan over an uncertainty of 0.22 eV.Taking advantage of the transition enhancement of EB and the long stability of the Coulomb crystal,the energy uncertainty of the first excited state can be limited to the order of 1 GHz.
基金supported by the National Natural Science Foundation of China (Nos.11921006,U2230133)Beijing Outstanding Young Scientists Program+2 种基金National Grand Instrument Project (No.2019YFF01014400)National Key R&D Program of China (No.2022YFA1603303)Open Foundation of Key Laboratory of High Power Laser and Physics,Chinese Academy of Sciences (No.SGKF202104)。
文摘In this study,we theoretically investigate the feasibility of using laser-wakefield accelerated(LWFA)electrons for the photonuclear measurement of nuclear isomers according to the characteristics of the electrons obtained from LWFA experiments conducted at the Compact Laser-Plasma Accelerator(CLAPA)laboratory.The experiments at the CLAPA show that a stable electron beam with an energy of 78-135 MeV and a charge of 300-600 pC can be obtained.The bremsstrahlung spectra were simulated using Geant4,which suggests that a bremsstrahlung source with a peak intensity of 10^(19) photons/s can be generated.Theoretical calculations of isomer production cross sections from the photonuclear reactions on six target nuclei,^(197)Au,^(180)Hf,^(159)Tb,^(115)In,^(103)Rh,and ^(90)Zr,were performed and compared with the available experimental data in EXFOR,which suggest that further experiments are required for a series of photonuclear reaction channels.Flux-averaged cross sections and isomer ratios(IR)resulting from such bremsstrahlung sources are theoretically deduced.The results suggest that IR measurements can be used to constrain nuclear components,such asγstrength function and optical model potential.In addition,the detection of the decay characteristics was evaluated with Geant4 simulations.The use of the LWFA electron beam and its bremsstrahlung for photonuclear studies involving nuclear isomers is anticipated.
文摘Aims:Evidence is emerging that,in the setting of isomerism,the atrial and bronchial arrangement are not always concordant,nor are these patterns always harmonious with the arrangement of the abdominal organs.We aimed to evaluate the concordance between these features in a cohort of patients with cardiac malformations in the setting of known isomerism,seeking to determine whether it was feasible to assess complexity on this basis,in this regard taking note of the potential value of bronchial as opposed to appendage morphology.Methods and Results:We studied 78 patients known to have isomerism of the bronchuses,43 with right and 35 with left isomerism.Appendage anatomy could be determined in 49 cases(63%),all but one of these being concordant with bronchial anatomy.When assessing abdominal features,in only 59 cases(76%)was splenic morphology in keeping with the thoracic findings.As expected,right isomerism was associated with greater complexity of cardiac malformations,with an odds ratio of 6.53,with confidence intervals from 2.2–19.3(p<0.001).The odds were slightly decreased with thoraco-abdominal disharmony,when lesions shown to carry higher risk were then found in the setting of left isomerism.Conclusion:Harmony is excellent between bronchial and appendage isomerism,but less so with the arrangement of the abdominal organs.Right isomerism in our cohort,was indicative of a sixfold increase in intracardiac complexity.When discordance was found between the systems,however,the cardiac anomalies were less typical of the anticipated findings for right vs.left isomerism of the appendages.
基金supported by the Natural Science Fund for Distinguished Young Scholars of Tianjin (17JCJQJC45500)the National Natural Science Foundation of China (NSFC,21876091 and 22178181)Tianjin Municipal Science and Technology Project (18PTZWHZ00150).
文摘In-situ MgO-doped ordered mesoporous carbon(OMC@MgO)was fabricated by formaldehyde-free self-assembly method,in which biomass-derived tannin was used as carbon precursor replacing fossil-based phenolics,Mg^(2+)as both cross-linker and precursor of catalytic sites.Up to~20 wt% MgO could be doped in the carbon skeleton with good dispersion retaining well-ordered mesoporous structures,while more MgO content(35 wt%)led to the failing in the formation of ordered mesoporous structure.The OMC@MgO possessed a high specific surface area(298.8 m^(2) g^(-1)),uniform pore size distribution(4.8 nm)and small crystallite size of MgO(1.73 nm)due to the confinement effect of ordered mesoporous structure.Using OMC@MgO as the heterogeneous catalyst,a maximum fructose yield of 32.4% with a selectivity up to 81.1%was achieved from glucose in water(90℃,60 min),which is much higher than that obtained using the MgO doped active carbon via conventional post-impregnation method(26.5%yield with 58.3% selectivity).Higher reaction temperature(>90℃)resulted in decrease of selectivity due to the formation of humins.The designed OMC@MgO displayed tolerant to high initial glucose concentrations(10 wt%)and could remain good recyclability without significant loss of activity for three cycles.
基金supported by the National Natural Science Foundation of China(Grant Nos.:22004074 and 21927805)Zhejiang Natural Science Foundation(Grant No.:LY22B050006)Foundation of Zhejiang Provincial Key Laboratory of Advanced Mass Spectrometry Technology and Molecular Detection(Grant No.:AMSMAKF2102).
文摘Drug adulteration and contamination are serious threats to human health therefore,their accurate monitoring is very important.Allopurinol(Alp)and theophylline(Thp)are commonly used drugs for the treatment of gout and bronchitis,while their isomers hypoxanthine(Hyt)and theobromine(Thm)have no effect and affect the efficacy of the drug.In this work,the drug isomers of Alp/Hyt and Thp/Thm are simply mixed withα-,β-,γ-cyclodextrin(CD)and metal ions and separated using trapped ion mobility spectrometry-mass spectrometry(TIMS-MS).TIMS-MS results showed that Alp/Hyt and Thp/Thm isomers could interact with CD and metal ions and form corresponding binary or ternary complexes to achieve their TIMS separation.Different metal ions and CDs showed different separation effect for the isomers,among which Alp and Hyt could be successfully distinguished from the complexes of[Alp/Hyt+γ-CD+Cu–H]^(+)with separation resolution(RP–P)of 1.51;whereas Thp and Thm could be baseline separated by[Thp/Thm+γ-CD+Ca–H]^(+)with RP–P of 1.96.Besides,chemical calculations revealed that the complexes were in the inclusion forms,and microscopic interactions were somewhat different,making their mobility separation.Moreover,relative and absolute quantification was investigated with an internal standard to determine the precise isomers content,and good linearity(R^(2)>0.99)was obtained.Finally,the method was applied for the adulteration detection where different drugs and urine were analyzed.In addition,due to the advantages of fast speed,simple operation,high sensitivity,and no chromatographic separation required,the proposed method provides an effective strategy for the drug adulteration detection of isomers.