Particles,including soot,aerosol and ash,usually exist as fractal aggregates.The radiative properties of the particle fractal aggregates have a great influence on studying the light or heat radiative transfer in the p...Particles,including soot,aerosol and ash,usually exist as fractal aggregates.The radiative properties of the particle fractal aggregates have a great influence on studying the light or heat radiative transfer in the particle medium.In the present work,the performance of the single-layer inversion model and the double-layer inversion model in reconstructing the geometric structure of particle fractal aggregates is studied based on the light reflectancetransmittance measurement method.An improved artificial fish-swarm algorithm(IAFSA)is proposed to solve the inverse problem.The result reveals that the accuracy of double-layer inversion model is more satisfactory as it can provide more uncorrelated information than the single-layer inversion model.Moreover,the developed IAFSA show higher accuracy and better robustness than the original artificial fish swarm algorithm(AFSA)for avoiding local optimization problems effectively.As a whole,the present work supplies a useful kind of measurement technology for predicting geometrical morphology of particle fractal aggregates.展开更多
Temperature-dependent aggregation is a key property for some donor polymers to realize favorable bulk-heterojunction(BHJ)morphologies and high-efficiency(>10%) polymer solar cells.Previous studies find that an impo...Temperature-dependent aggregation is a key property for some donor polymers to realize favorable bulk-heterojunction(BHJ)morphologies and high-efficiency(>10%) polymer solar cells.Previous studies find that an important structural feature that enables such temperature-dependent aggregation property is the 2nd position branched alkyl chains sitting between two thiophene units.In this report,we demonstrate that an optimal extent of fluorination on the polymer backbone is a second essential structural feature that enables the strong temperature-dependent aggregation property.We compare the properties of three structurally similar polymers with 0,2 or 4 fluorine substitutions in each repeating unit through an in-depth morphological study.We show that the non-fluorinated polymer does not aggregate in solution(0.02 mg mL^(-1) in chlorobenzene) at room temperature,which results in poor polymer crystallinity and extremely large polymer domains.On the other hand,the polymer with four fluorine atoms in each repeating unit exhibits an excessively strong tendency to aggregate,which makes it difficult to process and causes a large domain.Only the polymer with two fluorine atoms in each repeating unit exhibits a suitable extent of temperature-dependent aggregation property.As a result,its blend film achieves a favorable morphology and high power conversion efficiency.This provides another key design rationale for developing donor polymers with suitable temperature-dependent aggregation properties and thus high performance.展开更多
An amphiphilic polymer bearing tetraphenylethene (TPE) moiety was synthesized by convenient reactions. The polymer exhibits unique aggregation-induced emission (AIE) characteristics and can self-assemble to size-tunab...An amphiphilic polymer bearing tetraphenylethene (TPE) moiety was synthesized by convenient reactions. The polymer exhibits unique aggregation-induced emission (AIE) characteristics and can self-assemble to size-tunable particles in DMF/water mixtures. The polymer nanoparticles can be used for cell imaging, which provides a potential stable fluorescent tool to monitor the distribution of drugs and bioconjugates in living cells.展开更多
The research on aggregation-induced emission (AIE) has drawn increasing interests in the past decade. With the efforts scientists paid, a variety of AIE systems have been developed, among which the tetraphenylethelene...The research on aggregation-induced emission (AIE) has drawn increasing interests in the past decade. With the efforts scientists paid, a variety of AIE systems have been developed, among which the tetraphenylethelene and silole derivatives are the most studied. Development of new AIE systems could further enrich the AIE molecules and promote the development of AIE area. In this communication, we prepared a new AIE system based on 1,2,4,6-tetraphenylpyridinium ions according to the restriction of intramolecular rotation mechanism. These molecules could be facilely synthesized via one-step and one-pot reaction. The ionic AIE-active molecules could find wide application in sensing and optoelectronic areas.展开更多
The Taihu Lake region in East China has become prone to soil acidification, which changes heavy metals such as copper(Cu) in soil into water-soluble species and increases the mobility and contamination risks of heavy ...The Taihu Lake region in East China has become prone to soil acidification, which changes heavy metals such as copper(Cu) in soil into water-soluble species and increases the mobility and contamination risks of heavy metals in the biological environment. In this study, the kinetics of Cu2+sorption by the bulk soil and the aggregate size fractions of an acidic paddy soil collected from the Taihu Lake region, the effects of temperature on Cu2+sorption, and the p H changes of the solution were investigated by static sorption and magnetic stirring. The aggregate size fractions were prepared by low-energy ultrasonic dispersing and freeze-drying. The total sorption amounts of the bulk soil and the aggregate size fractions for Cu2+followed a descending order of clay > coarse sand > bulk soil > silt> sand, corresponding to those of organic matter content, free iron oxide content, free aluminum oxide content, and cation exchange capacity. The kinetic sorption curves of Cu2+by the bulk soil and the aggregates, which were divided into two stages(rapid and slow sequentially), were well fitted by the first-order equation, the diffusion equation, and the Elovich equation, showing significant correlations(P < 0.05). Specific and non-specific sorption dominated in the fast and slow stages, respectively, and the former was predominant throughout the sorption process. The specific sorption accelerated and the non-specific sorption decelerated with rising temperature. The p H of the solution decreased significantly during the specific sorption and remained unchanged or increased slightly during the non-specific sorption. When the specific sorption terminated, the p H of the solution was minimized nearly simultaneously.The sorption progress of Cu2+by the bulk soil significantly preceded that by the aggregates. Therefore, heavy metal contamination may be another factor reducing soil p H and metal sorption forms should be taken into consideration in studies of mitigating soil heavy metal pollution or determining environmental capacity of heavy metal in soil.展开更多
A series of new red fluorescent siloles consisting of a silole core and dimesitylboranyl substituent connected with a furan, thiophene, and selenophene bridges were synthesized and characterized. The optical propertie...A series of new red fluorescent siloles consisting of a silole core and dimesitylboranyl substituent connected with a furan, thiophene, and selenophene bridges were synthesized and characterized. The optical properties, electronic structures, and electroluminescence (EL) performances were investigated. The emission wavelengths were red-shifted from the siloles with furan, to those with thiophene, and then selenophene. The thiophene, and selenophene-containing siloles, (MesB)2DTTPS, and (MesB)zDSTPS, showed the typical aggregation-enhanced emission (AEE) feature, while furan-containing one, (MesB)2DFTPS, showed slight emission decrease as the aggregate formation. Theoretical calculations were carried out to explain the difference in the optical properties. Undoped OLEDs using these red siloles as light-emitting layers were fabricated. The device of (MesB)2DTTPS exhibited the best performance. It radiated red EL emission at 589 nm, and afforded good maximum luminance, current, power, and external quantum efficiency of 13300 cd m^-2, 4.3 cd A^-1, 2.9 lm W^-1, and 1.8%, respectively.展开更多
The generation of toxic non-native protein conformers has emerged as a unifying thread among disorders such as Alzheimer's disease, Parkinson's disease, and amyotrophic lateral sclerosis. Atomic-level detail regardi...The generation of toxic non-native protein conformers has emerged as a unifying thread among disorders such as Alzheimer's disease, Parkinson's disease, and amyotrophic lateral sclerosis. Atomic-level detail regarding dynamical changes that facilitate protein aggre- gation, as well as the structural features of large-scale ordered aggregates and soluble non-native oligomers, would contribute signifi- cantly to current understanding of these complex phenomena and offer potential strategies for inhibiting formation of cytotoxic species. However, experimental limitations often preclude the acquisition of high-resolution structural and mechanistic information for aggregating systems. Computational methods, particularly those combine both aU-atom and coarse-grained simulations to cover a wide range of time and length scales, have thus emerged as crucial tools for investigating protein aggregation. Here we review the current state of computational methodology for the study of protein self-assembly, with a focus on the application of these methods toward understanding of protein aggregates in human neurodegenerative disorders.展开更多
基金supported by the National Natural Science Foundation of China(No.51806103)the Natural Science Foundation of Jiangsu Province(No.BK20170800)Aeronautical Science Foundation of China(No.201928052002)。
文摘Particles,including soot,aerosol and ash,usually exist as fractal aggregates.The radiative properties of the particle fractal aggregates have a great influence on studying the light or heat radiative transfer in the particle medium.In the present work,the performance of the single-layer inversion model and the double-layer inversion model in reconstructing the geometric structure of particle fractal aggregates is studied based on the light reflectancetransmittance measurement method.An improved artificial fish-swarm algorithm(IAFSA)is proposed to solve the inverse problem.The result reveals that the accuracy of double-layer inversion model is more satisfactory as it can provide more uncorrelated information than the single-layer inversion model.Moreover,the developed IAFSA show higher accuracy and better robustness than the original artificial fish swarm algorithm(AFSA)for avoiding local optimization problems effectively.As a whole,the present work supplies a useful kind of measurement technology for predicting geometrical morphology of particle fractal aggregates.
基金supported by the National Basic Research Program of China(2013CB834705)HK JEBN Limited(Hong Kong)+3 种基金the Hong Kong Research Grants Council(T23-407/13-N,N_HKUST623/13,606012)HKUST President's Office through SSTSP scheme(EP201)the National Natural Science Foundation of China(21374090,21504066,21534003,51320105014)supported by the Director,Office of Science,Office of Basic Energy Sciences,of the US Department of Energy under Contract No.DE-AC02-05CH11231
文摘Temperature-dependent aggregation is a key property for some donor polymers to realize favorable bulk-heterojunction(BHJ)morphologies and high-efficiency(>10%) polymer solar cells.Previous studies find that an important structural feature that enables such temperature-dependent aggregation property is the 2nd position branched alkyl chains sitting between two thiophene units.In this report,we demonstrate that an optimal extent of fluorination on the polymer backbone is a second essential structural feature that enables the strong temperature-dependent aggregation property.We compare the properties of three structurally similar polymers with 0,2 or 4 fluorine substitutions in each repeating unit through an in-depth morphological study.We show that the non-fluorinated polymer does not aggregate in solution(0.02 mg mL^(-1) in chlorobenzene) at room temperature,which results in poor polymer crystallinity and extremely large polymer domains.On the other hand,the polymer with four fluorine atoms in each repeating unit exhibits an excessively strong tendency to aggregate,which makes it difficult to process and causes a large domain.Only the polymer with two fluorine atoms in each repeating unit exhibits a suitable extent of temperature-dependent aggregation property.As a result,its blend film achieves a favorable morphology and high power conversion efficiency.This provides another key design rationale for developing donor polymers with suitable temperature-dependent aggregation properties and thus high performance.
基金supported by the National Natural Science Foundation of China (20974028, 20974098, and 21174120)the National Basic Research Program of China (2009CB623605)+1 种基金the Research Grants Council of Hong Kong (603509, HKUST2/CRF/10, 604711, and N_HKUST620/11)B.Z.T. thanks the support from the Cao Guangbiao Foundation of Zhejiang University
文摘An amphiphilic polymer bearing tetraphenylethene (TPE) moiety was synthesized by convenient reactions. The polymer exhibits unique aggregation-induced emission (AIE) characteristics and can self-assemble to size-tunable particles in DMF/water mixtures. The polymer nanoparticles can be used for cell imaging, which provides a potential stable fluorescent tool to monitor the distribution of drugs and bioconjugates in living cells.
基金the National Science Foundation of China (21222402, 21174120, 20974098)the National Basic Research Program of China (2013CB834702, 2009CB623605)the Research Grants Council of Hong Kong (603509, HKUST2/CRF/10, 604711, NHKUST620/11)
文摘The research on aggregation-induced emission (AIE) has drawn increasing interests in the past decade. With the efforts scientists paid, a variety of AIE systems have been developed, among which the tetraphenylethelene and silole derivatives are the most studied. Development of new AIE systems could further enrich the AIE molecules and promote the development of AIE area. In this communication, we prepared a new AIE system based on 1,2,4,6-tetraphenylpyridinium ions according to the restriction of intramolecular rotation mechanism. These molecules could be facilely synthesized via one-step and one-pot reaction. The ionic AIE-active molecules could find wide application in sensing and optoelectronic areas.
基金the Science and Technology Support Project of Jiangsu Province(Project No.BE2013711)for financially supporting this study
文摘The Taihu Lake region in East China has become prone to soil acidification, which changes heavy metals such as copper(Cu) in soil into water-soluble species and increases the mobility and contamination risks of heavy metals in the biological environment. In this study, the kinetics of Cu2+sorption by the bulk soil and the aggregate size fractions of an acidic paddy soil collected from the Taihu Lake region, the effects of temperature on Cu2+sorption, and the p H changes of the solution were investigated by static sorption and magnetic stirring. The aggregate size fractions were prepared by low-energy ultrasonic dispersing and freeze-drying. The total sorption amounts of the bulk soil and the aggregate size fractions for Cu2+followed a descending order of clay > coarse sand > bulk soil > silt> sand, corresponding to those of organic matter content, free iron oxide content, free aluminum oxide content, and cation exchange capacity. The kinetic sorption curves of Cu2+by the bulk soil and the aggregates, which were divided into two stages(rapid and slow sequentially), were well fitted by the first-order equation, the diffusion equation, and the Elovich equation, showing significant correlations(P < 0.05). Specific and non-specific sorption dominated in the fast and slow stages, respectively, and the former was predominant throughout the sorption process. The specific sorption accelerated and the non-specific sorption decelerated with rising temperature. The p H of the solution decreased significantly during the specific sorption and remained unchanged or increased slightly during the non-specific sorption. When the specific sorption terminated, the p H of the solution was minimized nearly simultaneously.The sorption progress of Cu2+by the bulk soil significantly preceded that by the aggregates. Therefore, heavy metal contamination may be another factor reducing soil p H and metal sorption forms should be taken into consideration in studies of mitigating soil heavy metal pollution or determining environmental capacity of heavy metal in soil.
基金supported by the National Natural Sci-ence Foundation of China (51273053)the National Basic Research Program of China (2015CB655004,2013CB834702)+3 种基金the Guangdong Natural Science Funds for Distinguished Young Scholar (2014A 030306035)the Guangdong Innovative R esearch Team Program o f China (201101C0105067115)ITC-CN ERC14S01the Fundam ental Research Funds for the Central Univer- sities (2015PT020, 2015ZY013)
文摘A series of new red fluorescent siloles consisting of a silole core and dimesitylboranyl substituent connected with a furan, thiophene, and selenophene bridges were synthesized and characterized. The optical properties, electronic structures, and electroluminescence (EL) performances were investigated. The emission wavelengths were red-shifted from the siloles with furan, to those with thiophene, and then selenophene. The thiophene, and selenophene-containing siloles, (MesB)2DTTPS, and (MesB)zDSTPS, showed the typical aggregation-enhanced emission (AEE) feature, while furan-containing one, (MesB)2DFTPS, showed slight emission decrease as the aggregate formation. Theoretical calculations were carried out to explain the difference in the optical properties. Undoped OLEDs using these red siloles as light-emitting layers were fabricated. The device of (MesB)2DTTPS exhibited the best performance. It radiated red EL emission at 589 nm, and afforded good maximum luminance, current, power, and external quantum efficiency of 13300 cd m^-2, 4.3 cd A^-1, 2.9 lm W^-1, and 1.8%, respectively.
文摘The generation of toxic non-native protein conformers has emerged as a unifying thread among disorders such as Alzheimer's disease, Parkinson's disease, and amyotrophic lateral sclerosis. Atomic-level detail regarding dynamical changes that facilitate protein aggre- gation, as well as the structural features of large-scale ordered aggregates and soluble non-native oligomers, would contribute signifi- cantly to current understanding of these complex phenomena and offer potential strategies for inhibiting formation of cytotoxic species. However, experimental limitations often preclude the acquisition of high-resolution structural and mechanistic information for aggregating systems. Computational methods, particularly those combine both aU-atom and coarse-grained simulations to cover a wide range of time and length scales, have thus emerged as crucial tools for investigating protein aggregation. Here we review the current state of computational methodology for the study of protein self-assembly, with a focus on the application of these methods toward understanding of protein aggregates in human neurodegenerative disorders.