Organic diradicaloids with unique open-shell structures and properties have been widely used in organic electronics and spintronics.However,their advantageous optical properties have been explored less in the biomedic...Organic diradicaloids with unique open-shell structures and properties have been widely used in organic electronics and spintronics.However,their advantageous optical properties have been explored less in the biomedical field.In this work,the photothermal conversion behaviors of a boron-containing organic diradicaloid(BOD)are reported.BOD can assemble with 1,2-distearoyl-sn-glycero-3-phosphoethanolamine-poly(ethylene glycol)to form rodlike nanoparticles(BOD NPs).These as-prepared BOD NPs exhibit high photothermal conversion capability and robust photothermal stability.Notably,they possess morphological superiority,which guarantees the effective photothermal therapy of tumors.This work thus demonstrates the promise of organic diradicaloids as efficient photothermal agents for biomedical applications.展开更多
A density functional theory (DFT) is used to investigate molecular orientation of hard rod fluids in a hard slit. The DFT approach combines a modified fundamental measure theory (MFMT) for excluded-volume effect w...A density functional theory (DFT) is used to investigate molecular orientation of hard rod fluids in a hard slit. The DFT approach combines a modified fundamental measure theory (MFMT) for excluded-volume effect with the first order thermodynamics perturbation theory for chain connectivity. In the DFT approach, the intra-molecular bonding orientation function is introduced. We consider the effects of molecular length (i.e. aspect ratio of rod) and packing fraction on the orientations of hard rod fluids and flexible chains. For the flexible chains, the chain length has no significant effect while the packing fraction shows slight effect on the molecular orientation distribution. In contrast, for the hard rod fluids, the chain length determines the molecular orientation distribution, while the packing fraction has no significant effect on the molecular orientation distribution. By making a comparison between molecular orientations of the flexible chain and the hard rod fluid, we find that the molecular stiffness distinctly affects the molecular orientation. In addition, partitioning coefficient indicates that the longer rodlike molecule is more difficult to enter the confined phase, especially at low bulk packing fractions.展开更多
The Cu-24 Pb-x Sn(wt%)(x=0,2,4,6)alloys with Pb-rich second-phase particles(SPPs)in different shapes show obviously differently mechanical and self-lubricating properties.The influence of the SPPs’shape difference on...The Cu-24 Pb-x Sn(wt%)(x=0,2,4,6)alloys with Pb-rich second-phase particles(SPPs)in different shapes show obviously differently mechanical and self-lubricating properties.The influence of the SPPs’shape difference on the alloys’mechanical and self-lubricating properties was revealed.Cu-24 Pb alloy with continuously netty SPPs shows much more intensive stick-slip phenomenon during dry sliding than the other three alloys with independently rodlike SPPs.That is mainly due to insufficient lubrication resulted by the netty SPPs’splitting matrix.With the SPPs transforming from netty to rodlike shape under the addition of Sn,the stick-slip phenomenon was notably weakened,which was proven to be related to the higher self-lubricating property of alloys with rodlike SPPs.Simultaneously,the simultaneous increase of ductility and tensile strength was observed in the Cu-24 Pb-x Sn alloys with increasing Sn content,which is because the netty SPPs’splitting behavior will be weakened with them replaced by the rodlike SPPs.展开更多
基金National Natural Science Foundation of China,Grant/Award Numbers:52003267,51973214,22175074Natural Science Foundation of Jilin Province,Grant/Award Numbers:YDZJ202101ZYTS027,20220101054JC。
文摘Organic diradicaloids with unique open-shell structures and properties have been widely used in organic electronics and spintronics.However,their advantageous optical properties have been explored less in the biomedical field.In this work,the photothermal conversion behaviors of a boron-containing organic diradicaloid(BOD)are reported.BOD can assemble with 1,2-distearoyl-sn-glycero-3-phosphoethanolamine-poly(ethylene glycol)to form rodlike nanoparticles(BOD NPs).These as-prepared BOD NPs exhibit high photothermal conversion capability and robust photothermal stability.Notably,they possess morphological superiority,which guarantees the effective photothermal therapy of tumors.This work thus demonstrates the promise of organic diradicaloids as efficient photothermal agents for biomedical applications.
基金Project supported by the National Natural Science Foundation of China (Grant No 20646001), the Beijing Novel Program (Grant No 2006B17), the Program for New Century Excellent Talents in University (NCET), the "Chemical Grid Program" and the Excellent Talent Fund of Beijing University of Chemical Technology.
文摘A density functional theory (DFT) is used to investigate molecular orientation of hard rod fluids in a hard slit. The DFT approach combines a modified fundamental measure theory (MFMT) for excluded-volume effect with the first order thermodynamics perturbation theory for chain connectivity. In the DFT approach, the intra-molecular bonding orientation function is introduced. We consider the effects of molecular length (i.e. aspect ratio of rod) and packing fraction on the orientations of hard rod fluids and flexible chains. For the flexible chains, the chain length has no significant effect while the packing fraction shows slight effect on the molecular orientation distribution. In contrast, for the hard rod fluids, the chain length determines the molecular orientation distribution, while the packing fraction has no significant effect on the molecular orientation distribution. By making a comparison between molecular orientations of the flexible chain and the hard rod fluid, we find that the molecular stiffness distinctly affects the molecular orientation. In addition, partitioning coefficient indicates that the longer rodlike molecule is more difficult to enter the confined phase, especially at low bulk packing fractions.
基金supported financially by the National Key Research and Development Program of China(Nos.2016YFB0301303 and 2017YFB0306105)the National Natural Science Foundation of China(Nos.51871041,51771040and51690163)the Fundamental Research Funds for the Central Universities of China(No.DUT17JC44).
文摘The Cu-24 Pb-x Sn(wt%)(x=0,2,4,6)alloys with Pb-rich second-phase particles(SPPs)in different shapes show obviously differently mechanical and self-lubricating properties.The influence of the SPPs’shape difference on the alloys’mechanical and self-lubricating properties was revealed.Cu-24 Pb alloy with continuously netty SPPs shows much more intensive stick-slip phenomenon during dry sliding than the other three alloys with independently rodlike SPPs.That is mainly due to insufficient lubrication resulted by the netty SPPs’splitting matrix.With the SPPs transforming from netty to rodlike shape under the addition of Sn,the stick-slip phenomenon was notably weakened,which was proven to be related to the higher self-lubricating property of alloys with rodlike SPPs.Simultaneously,the simultaneous increase of ductility and tensile strength was observed in the Cu-24 Pb-x Sn alloys with increasing Sn content,which is because the netty SPPs’splitting behavior will be weakened with them replaced by the rodlike SPPs.