A series of blue and blue‑green Ir(Ⅲ)complexes has been investigated theoretically to explore their electronic structures,photophysical properties,efficiency roll‑off effect,and thermal activation delayed fluorescenc...A series of blue and blue‑green Ir(Ⅲ)complexes has been investigated theoretically to explore their electronic structures,photophysical properties,efficiency roll‑off effect,and thermal activation delayed fluorescence(TADF)properties.All calculations were performed using density functional theory(DFT)and time‑dependent density functional theory(TDDFT).Calculations for electronic structures,frontier molecular orbital characteristics(which determine the efficiency roll‑off effect of the complexes),and photophysical properties were conducted using the Gaussian 09 software package.The calculation of spin‑orbit coupling matrix elements<T|HSOC|S>,which determine the TADF properties of the complexes,was performed using the ORCA software package.The calculation results show that the auxiliary ligand tetraphenylimidodiphosphinate(tpip),a strong electron‑withdrawing group,can mitigate the efficiency roll‑off effect of the complex.Furthermore,TADF is observed in one of the designed complexes,(F_(3)Phppy)_(2)Ir(tpip),where F_(3)Phppy=2‑[4‑(2,4,6‑trifluorophenyl)phenyl]pyridine.展开更多
Heteroatom doping is a promising strategy for designing cost-effective and stable electrocatalysts toward the oxygen evolution reaction(OER),but the enhancement mechanism remains unclear.Herein,atomic Ir-O-Cu and Ir-O...Heteroatom doping is a promising strategy for designing cost-effective and stable electrocatalysts toward the oxygen evolution reaction(OER),but the enhancement mechanism remains unclear.Herein,atomic Ir-O-Cu and Ir-O-Ir motifs are engineered into CuO nanowires via cation exchange and dehydration to elucidate the OER mechanism.Systematic characterizations confirm the atomic dispersion of Ir within the CuO lattice and the electron transfer from Ir to CuO while preserving the host structure.The asprepared single-atom Ir-doped CuO(IrSA-CuO),featuring predominant Cu-O-Ir motifs and coexisting IrO-Ir motifs,achieves a low OER overpotential of 204 mV at 10 mA cm^(-2)in 1 M KOH,coupled with a 69-fold higher mass activity than commercial IrO_(2).Furthermore,the Ir_(SA)-CuO maintains long-term stability for 300 h at 200 mA cm^(-2)with minimal overpotential alteration and an additional 120 h at500 mA cm^(-2)with overpotential increased by 15 mV.In situ Raman spectroscopy reveals that the Ir-O-Ir motifs suppress Cu^(Ⅱ) oxidation to Cu^(Ⅲ) by delaying the onset potential,enhancing the structural stability during OER.Density functional theory calculations demonstrate the Cu-O-Ir motifs lower the adsorption energy of bridged ^(*)O via asymmetric bonding,accelerating ^(*)OOH formation in the ratedetermining step.This work presents a heteroatom engineering strategy to balance electrocatalytic activity and durability,providing a blueprint for industrial electrocatalyst design.展开更多
高剂量率(High Dose Rate,HDR)近距离放射治疗在现代临床近距离放疗中得到广泛应用,临床实践依赖于^(192)Ir源的精确剂量学参数。由于不同放射源设计各异,各型号放射源需特定的剂量学参数。尽管国际上已针对^(192)Ir源进行了广泛研究,...高剂量率(High Dose Rate,HDR)近距离放射治疗在现代临床近距离放疗中得到广泛应用,临床实践依赖于^(192)Ir源的精确剂量学参数。由于不同放射源设计各异,各型号放射源需特定的剂量学参数。尽管国际上已针对^(192)Ir源进行了广泛研究,但针对原子高科股份有限公司生产的HDR ^(192)Ir源的国内研究较少。为了计算国产HDR ^(192)Ir源的剂量学参数,依据美国医学物理师协会(American Association of Physicists in Medicine,AAPM)TG43-U1推荐的剂量学参数计算方法,使用蒙特卡罗模拟软件建立^(192)Ir源的详细结构模型进行模拟计算。模拟结果显示:剂量率常数为1.105 cGy·h^(-1)·U^(-1),与文献值差异小于1.2%;单位活度空气比释动能率为9.788×10^(-8) U·Bq^(-1),差异为0.23%;径向剂量函数和各向异性函数结果与文献一致。结果表明,该模型对于国产HDR ^(192)Ir源的临床应用,具有一定的指导意义。展开更多
The hydrophobic sonosensitizer IR780 iodide(IR780)was loaded into liposomes to form Liposome@IR780 nanoparticles(NPs)for triple-negative breast cancer(TNBC)to enhance SDT via low-intensity ultrasound(LIU)irradiation.T...The hydrophobic sonosensitizer IR780 iodide(IR780)was loaded into liposomes to form Liposome@IR780 nanoparticles(NPs)for triple-negative breast cancer(TNBC)to enhance SDT via low-intensity ultrasound(LIU)irradiation.The NPs were characterized using various physicochemical methods including size distribution,zeta potential,and morphology.In vitro experiments show that the Liposome@IR780 NPs can generate more reactive oxygen species(ROS)upon LIU irradiation.The apoptosis experiment results further demonstrate that Liposome@IR780 NPs show better apoptosis rate against 4T1 cells.Our results indicate that Liposome@IR780 NPs will provide a promising approach for TNBC upon SDT treatment.展开更多
Infrared(IR) optics have garnered significant attention due to growing demands in advanced optical imaging,communication, detection, and sensing. Among various IR devices, microlenses and microlens arrays offer distin...Infrared(IR) optics have garnered significant attention due to growing demands in advanced optical imaging,communication, detection, and sensing. Among various IR devices, microlenses and microlens arrays offer distinct advantages in integration capability, imaging precision, multifunctionality, and cost-effective manufacturing. We present a novel design of high-resolution achromatic microlens in the mid-IR region. Different from traditional high-refractive-index convex microlenses embedded within a low-index background medium, the current design is a low-index air concave microlens embedded within a high-index silicon medium. The designed air microlens exhibits capabilities in high-resolution imaging(~λ/6) and achromatic performance across the 3–5 μm mid-IR spectrum. The air microlens could be assembled in large-area microlens arrays or as part of multi-lens system.When combined with the HgCdTe detector system placed on the focal plane, the air microlens can find promising applications in high-resolution optical imaging and high-sensitivity photoelectric detection.展开更多
文摘A series of blue and blue‑green Ir(Ⅲ)complexes has been investigated theoretically to explore their electronic structures,photophysical properties,efficiency roll‑off effect,and thermal activation delayed fluorescence(TADF)properties.All calculations were performed using density functional theory(DFT)and time‑dependent density functional theory(TDDFT).Calculations for electronic structures,frontier molecular orbital characteristics(which determine the efficiency roll‑off effect of the complexes),and photophysical properties were conducted using the Gaussian 09 software package.The calculation of spin‑orbit coupling matrix elements<T|HSOC|S>,which determine the TADF properties of the complexes,was performed using the ORCA software package.The calculation results show that the auxiliary ligand tetraphenylimidodiphosphinate(tpip),a strong electron‑withdrawing group,can mitigate the efficiency roll‑off effect of the complex.Furthermore,TADF is observed in one of the designed complexes,(F_(3)Phppy)_(2)Ir(tpip),where F_(3)Phppy=2‑[4‑(2,4,6‑trifluorophenyl)phenyl]pyridine.
基金supported by the Fujian Science and Technology Innovation Laboratory for Optoelectronic Information of China(No.2021ZR124)。
文摘Heteroatom doping is a promising strategy for designing cost-effective and stable electrocatalysts toward the oxygen evolution reaction(OER),but the enhancement mechanism remains unclear.Herein,atomic Ir-O-Cu and Ir-O-Ir motifs are engineered into CuO nanowires via cation exchange and dehydration to elucidate the OER mechanism.Systematic characterizations confirm the atomic dispersion of Ir within the CuO lattice and the electron transfer from Ir to CuO while preserving the host structure.The asprepared single-atom Ir-doped CuO(IrSA-CuO),featuring predominant Cu-O-Ir motifs and coexisting IrO-Ir motifs,achieves a low OER overpotential of 204 mV at 10 mA cm^(-2)in 1 M KOH,coupled with a 69-fold higher mass activity than commercial IrO_(2).Furthermore,the Ir_(SA)-CuO maintains long-term stability for 300 h at 200 mA cm^(-2)with minimal overpotential alteration and an additional 120 h at500 mA cm^(-2)with overpotential increased by 15 mV.In situ Raman spectroscopy reveals that the Ir-O-Ir motifs suppress Cu^(Ⅱ) oxidation to Cu^(Ⅲ) by delaying the onset potential,enhancing the structural stability during OER.Density functional theory calculations demonstrate the Cu-O-Ir motifs lower the adsorption energy of bridged ^(*)O via asymmetric bonding,accelerating ^(*)OOH formation in the ratedetermining step.This work presents a heteroatom engineering strategy to balance electrocatalytic activity and durability,providing a blueprint for industrial electrocatalyst design.
文摘高剂量率(High Dose Rate,HDR)近距离放射治疗在现代临床近距离放疗中得到广泛应用,临床实践依赖于^(192)Ir源的精确剂量学参数。由于不同放射源设计各异,各型号放射源需特定的剂量学参数。尽管国际上已针对^(192)Ir源进行了广泛研究,但针对原子高科股份有限公司生产的HDR ^(192)Ir源的国内研究较少。为了计算国产HDR ^(192)Ir源的剂量学参数,依据美国医学物理师协会(American Association of Physicists in Medicine,AAPM)TG43-U1推荐的剂量学参数计算方法,使用蒙特卡罗模拟软件建立^(192)Ir源的详细结构模型进行模拟计算。模拟结果显示:剂量率常数为1.105 cGy·h^(-1)·U^(-1),与文献值差异小于1.2%;单位活度空气比释动能率为9.788×10^(-8) U·Bq^(-1),差异为0.23%;径向剂量函数和各向异性函数结果与文献一致。结果表明,该模型对于国产HDR ^(192)Ir源的临床应用,具有一定的指导意义。
文摘The hydrophobic sonosensitizer IR780 iodide(IR780)was loaded into liposomes to form Liposome@IR780 nanoparticles(NPs)for triple-negative breast cancer(TNBC)to enhance SDT via low-intensity ultrasound(LIU)irradiation.The NPs were characterized using various physicochemical methods including size distribution,zeta potential,and morphology.In vitro experiments show that the Liposome@IR780 NPs can generate more reactive oxygen species(ROS)upon LIU irradiation.The apoptosis experiment results further demonstrate that Liposome@IR780 NPs show better apoptosis rate against 4T1 cells.Our results indicate that Liposome@IR780 NPs will provide a promising approach for TNBC upon SDT treatment.
基金supported by the Science and Technology Project of Guangdong Province, China (Grant No. 2020B010190001)the National Natural Science Foundation of China (Grant No. 12434016)the National Key Research and Development Program of China (Grant No. 2018YFA0306200)。
文摘Infrared(IR) optics have garnered significant attention due to growing demands in advanced optical imaging,communication, detection, and sensing. Among various IR devices, microlenses and microlens arrays offer distinct advantages in integration capability, imaging precision, multifunctionality, and cost-effective manufacturing. We present a novel design of high-resolution achromatic microlens in the mid-IR region. Different from traditional high-refractive-index convex microlenses embedded within a low-index background medium, the current design is a low-index air concave microlens embedded within a high-index silicon medium. The designed air microlens exhibits capabilities in high-resolution imaging(~λ/6) and achromatic performance across the 3–5 μm mid-IR spectrum. The air microlens could be assembled in large-area microlens arrays or as part of multi-lens system.When combined with the HgCdTe detector system placed on the focal plane, the air microlens can find promising applications in high-resolution optical imaging and high-sensitivity photoelectric detection.
