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| 1 | Application of TLSER method in predicting the aqueous solubility and n-octanol/water partition coefficient of PCBs,PCDDs and PCDFs显示文摘The theoretical linear solvation energy relationship(TLSER) approach was adopted to predict the aqueous solubility and n -octanol/water partition coefficient of three groups of environmentally important chemicals-polychlorinated biphenyls(PCBs), polychlorinated dibenzodioxins and dibenzofurans(PCDDs and PCDFs). For each compound, five quantum parameters were calculated using AM1 semiempirical molecular orbital methods and used as structure descriptors: average molecular polarizability(α), energy of the lowest unoccupied molecular orbit( E _ LUMO ), energy of the highest occupied molecular orbit( E _ HOMO ), the most positive charge on a hydrogen atom( q _+), and the most negative atomic partial charge( q _-) in the solute molecule. Then standard independent variables in TLSER equation was extracted and two series of quantitative equations between these quantum parameters and aqueous solubility and n -octanol/water partition coefficient were obtained by stepwise multiple linear regression(MLR) method. The developed equations have both quite high accuracy and explicit meanings. And the cross-validation test illustrated the good predictive power and stability of the established models. The results showed that TLSER could be used as a promising approach in the estimation of partition and solubility properties of macromolecular chemicals, such as persistent organic pollutants. | HUANGJun YUGang ZHANGZu-lin WANGYi-lei ZHUWei-hua WUGuo-shi | 2004 | Journal of Environmental Sciences2004，16，1： | 12 |
| 2 | Predicting physico-chemical properties of polychlorinated diphenyl ethers (PCDEs): potential persistent organic pollutants(POPs)显示文摘Polychlorinated diphenyl ethers(PCDEs) have received more and more concerns as a category of potential persistent organic pollutants(POPs). Modeling its environmental fate and exposure assessment require a number of fundamental physico-chemical properties. However, the experimental data are currently limited due to the difficulty in analysis caused by the complexity of PCDE congeners. As an alternative, the quantitative structure property relationship(QSPR) approach could be used. In this paper, twelve kinds of molecular connectivity indices(MCIs) of all 209 possible molecular structure patterns of PCDEs were calculated. Based on 106 PCDEs with three observed physico-chemical properties—vapour pressure(P 0 L), aqueous solubility(S w) and n-octanol/water(K ow ) and their MCIs data, a series of QSPR equations were established using multiple linear regression(MLR) method. As a result, three equations with best performance were selected mainly from the view of high regression coefficient(R) and low standard error(SE). All of them showed significant relationship and high accuracy. With these equations the properties of other 103 patterns of PCDEs without the reported observed values were predicted. Furthermore, three partition properties for PCDE congeners—Henry’s Law constants(H), partition coefficients between gas/water(K gw ) and gas/n-octanol(K go ) were calculated according to the internal relationship among these six properties. These observed and predicted values, in contrast with the criteria listed in the Stockholm treaty about POPs which has been signed by more than ninety countries in May 2001, illustrated that most of PCDEs congeners are potential persistent organic pollutants. As all descriptors/predictors are derived just from the molecular structure itself and without the import of any empirical parameters, this method is impersonal and promising for the estimation of physico-chemical properties of PCDEs. | HUANGJun YUGang YANGXi ZHANGZu-lin | 2004 | Journal of Environmental Sciences2004，16，2： | 9 |
| 3 | ANALYSES ON SYSTEMATIC CONFRONTATION OF FIGHTER AIRCRAFT显示文摘Analyses of the systematic confrontation between two military forcfes are the highest hierarchy on opera-tional effectiveness study of weapon systema.The physi-cal model for tactical many-on-many engagements of an aerial warfare with heterogeneous figher aircraft is estab-lished.On the basis of Lanchester multivariate equations of square law,a mathematical model corresponding to the established physical model is given.A superiorityh parame-ter is then derived directly from the mathematical model.With view to the high -tech condition of modern war-fare,the concept of superiority parameter which more well and truly reflects the essential of an air-to-air en-gagement is further formulated.The attrition coeffi-cients,which are key to the differential equations,are de-termined by using tactics of random target assignment and air-to-air capability index of the fighter aircraft.Hereby,taking the mathematical model and superiority parameter as cores,calculations amd analyses of complicate systemic problems such as evaluation of battle superiority,prog-mostication of combat process and optimization of colloca-tions have been accomplished.Results indicate that a clas-sical combat theory with its certain recent development has received newer applications in the military operation research for complicated confrontation analysis issues. | HuaiJinpeng WuZhe HuangJun | 2002 | Transactions of Nanjing University of Aeronautics and Astronautics2002，19，1： | 3 |
| 4 | Effects of hypoxia on promoter of telomerase reverse transcriptase and cell cycle distribution in neonatal rat cardiac myocytes显示文摘On the hypothesis that telomerase reverse transcriptase (TERT) of cardiac myocytes (CMs) is consistent with cell cycle distribution as well as tumour cells, we plan to investigate the expression of TERT in CMs and how TERT is in keeping with CMs cycle distribution after birth and under hypoxia, and roughly understand how hypoxia affects activity of TERT promoter. | XUShun-lin HUANGJun ZHUJing CAOKe-jiang DINGGui-peng ZHUYi XULu | 2005 | Chinese Medical Journal2005，，5： | 2 |
| 5 | Attention should be paid to diagnosis, prevention and treatment study of diastolic heart failure显示文摘 | HUANGJun | 2009 | ChinJ Cardiol2009，37，0： | 1 |
| 6 | 显示文摘 | JIANGDe-Sheng(姜德生) LONGSheng-Ya(龙胜亚) HUANGJun(黄俊) etal | | WeiShengWUXuebao0，，： | 1 |
| 7 | Multi-perioddynamicmodelforemergencyresourcedispatchingprobleminuncertaintrafficnetworksystems显示文摘 | RenXide ZhuJianming HuangJun | 2012 | EngineeringProcedia2012，22，5： | 1 |
| 8 | A cost-efficiency equilibrium problem of regional single emergency resource guaran- tee with multi-objective programming显示文摘 | LIU Tie BU Ru-guo HUANGJun | 2012 | Systems Engineering Procedia2012，5，： | 1 |
| 9 | Cerium oxide nanoparticles coated by surfactant sodium bis (2-ethylhexyl) sulphosuccinate (ATO):local atomic structures and X-ray absorption spectroscopic studies显示文摘 | Wu Zhonghua Robert E Benfield Guo Lin Li Huangjun Yang Qinglin Didier G Li Qianshu Zhu Hesun | 2001 | Journal of Physics:Condensed Matter2001，13，： | 1 |
| 10 | Implicit Vector Equilibrium Problems with Application显示文摘 | Li HuangJun Thopson H B | 2003 | Mathematical and Computer Modeling2003，37，： | 1 |
| 11 | High-efficiency thermally activated delayed fluorescence materials via a shamrock-shaped design strategy to enable OLEDs with external quantum efficiency over 38%显示文摘To achieve highly-efficient organic light-emitting diodes(OLEDs),great efforts have been devoted into constructing thermally activated delayed fluorescence(TADF)with high horizontal dipole ratios(Θ//).Here,we proposed a design strategy by integrating a rigid electron-accepting oxygen-bridged boron core with triple electron-donating groups,which exhibited a“shamrock-shape”,namely BO-3DMAC and BO-3DPAC.Benefiting from the rigid and large-planar skeletons brought by shamrock-shaped design,BO-3DMAC and BO-3DPAC exhibit highΘ//of 84%/70%and 93%/94%in neat/doped films,respectively,and finally furnish excellent external quantum efficiencies(EQEs)of up to 28.3%and 38.7%in 20 wt%doped OLEDs with sky-blue emission,as well as adequate EQEs of up to 21.0%and 16.7%in nondoped OLEDs.This work unveils a promising strategy to establish high-Θ//TADF emitters by constructing large-planar molecular structures using shamrock-shaped design. | Gaoyu Li Junrong Pu Zhan Yang Huangjun Deng Yanyan Liu Zhu Mao Juan Zhao Shi-Jian Su Zhenguo Chi | 2023 | Aggregate2023，4，6： | 0 |
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