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| 1 | A new strategy to iteratively update scalable universal quantitative models for the testing of azithromycin by near infrared spectroscopy显示文摘The training set of a universal near infrared (NIR) model for quantitative analysis of a drug should cover as many samples of this drug in the market as possible. Inevitably the model may fail for new products that have different excipients and production processes. In such circumstances the model should be updated. We here propose a new strategy to iteratively update a universal NIR quantitative model for azithromycin. We prove that universal quantitative models generated from this new strategy are comparably effective for azithromycin injection powders and azithromycin tablets, compared to the strategy using hierarchical clustering method which we reported previously. Furthermore, we establish the correlation coefficient r between a new sample and the training set samples can be used to decide whether or not the model should be updated. | ZOU WenBo FENG YanChun DONG JiXiong SONG DanQing HU ChangQin | 2013 | Science China Chemistry2013，56，4： | 5 |
| 2 | Blue-coke production technology and the current state-of-the-art in China显示文摘Blue-coke is a kind of char obtained by the low temperature pyrolysis of non-caking or weakly-caking coal with high volatile matter.It is generally granular with high reactivity,high electrical resistivity and high in fixed carbon but low in ash,sulfur,aluminum and phosphorus content.It has low price and extensive application decided by the raw coal and the production technology.This paper reviews pyrolysis reactor,process principle,technology characteristic and application state of blue-coke production technology in China.It includes vertical oven technology,rotary kiln technology and rotary-hearth furnace technology with external-heating,and vertical oven technology,rotary-disc furnace technology and conveyor-belt furnace technology with internal-heating.According to the existing problems in industrial blue-coke production technology,perspectives in terms of dust removal from volatiles,coke quenching and breakthrough of pyrolysis technology are given. | Yanchun Feng Shaoping Xu | 2020 | Carbon Resources Conversion2020，3，1： | 5 |
| 3 | Recent progress in organic solar cells(PartⅠmaterial science)显示文摘During past several years,the photovoltaic performances of organic solar cells(OSCs)have achieved rapid progress with power conversion efficiencies(PCEs)over 18%,demonstrating a great practical application prospect.The development of material science including conjugated polymer donors,oligomer-like organic molecule donors,fused and nonfused ring acceptors,polymer acceptors,single-component organic solar cells and water/alcohol soluble interface materials are the key research topics in OSC field.Herein,the recent progress of these aspects is systematically summarized.Meanwhile,the current problems and future development are also discussed. | Yahui Liu Bowen Liu Chang-Qi Ma Fei Huang Guitao Feng Hongzheng Chen Jianhui Hou Lingpeng Yan Qingya Wei Qun Luo Qinye Bao Wei Ma Wei Liu Weiwei Li Xiangjian Wan Xiaotian Hu Yanchun Han Yaowen Li Yinhua Zhou Yingping Zou Yiwang Chen Yongfang Li Yongsheng Chen Zheng Tang Zhicheng Hu Zhi-Guo Zhang Zhishan Bo | 2022 | Science China Chemistry2022，65，2： | 5 |
| 4 | Theoretical Investigation on Mechanical and Thermal Properties of a Promising Thermal Barrier Material:Yb_3Al_5O_(12)显示文摘An investigation on the mechanical and thermal properties of Yb_3AI_5O_(12) is conducted by a combination of firstprinciples calculations and chemical bond theory calculation.Density functional theory(DFT) computations were performed for the structural,mechanical,and thermal properties,and the results are confirmed by chemical bond theory.Based on the calculated equilibrium crystal structure,heterogeneous bonding nature is revealed.The full set of elastic constants and mechanical properties of Yb_3AI_5O_(12) are presented for the first time.The thermal expansion coefficient of Yb_3AI_5O_(12) is calculated to be 7.5×10^(-6) K^(-1) by chemical bond theory.In addition,the minimum thermal conductivity of Yb_3AI_5O_(12) is estimated to be 1.22 W m^(-1)K^(-1),and the origin of such low thermal conductivity is discussed.Our theoretical results highlight the potential of Yb3AI5012 as a prospective thermal barrier coating material. | Yanchun Zhou Huimin Xiang Zhihai Feng | 2014 | Journal of Materials Science & Technology2014，30，7： | 5 |
| 5 | Effects of Exogenous Trehalose on the Metabolism of Sugar and Abscisic Acid in Tomato Seedlings Under Salt Stress显示文摘Salt stress a ects the growth and development of plants, which results in a decrease in crop quality and yield. In this study, we used tomato seedlings treated with salt and trehalose as experimental materials and analyzed them using the technique for order preference by similarity to ideal solution analysis to select the optimal trehalose concentration for treatment. We also determined the contents of sugar and abscisic acid (ABA) and detected the expression of genes involved in the metabolism of sugar and ABA by quantitative real-time PCR. Results showed that the optimal trehalose concentration was 2 mmol/L for tomato seedlings under salt stress. Exogenous trehalose decreased the starch content and increased the soluble sugar con- tent by a ecting the expression of genes related to the metabolism of starch and soluble sugar. Exogenous trehalose altered the accumulation and distribution of sugar by inducing the upregulation of sugar transporter genes. Furthermore, trehalose increased the ABA content to induce salt stress response by regulating the expression of genes related to the synthesis and metabolism of ABA. In conclusion, trehalose can e ectively alleviate salt stress and enhance salt tolerance of tomato. These ndings provide a novel perspective and a better resource to investigate the salt tolerance mechanism and a new method for alleviating salt stress in tomato. | Yanchun Feng Xiuyu Chen Yulong He Xiaohong Kou Zhaohui Xue | 2019 | Transactions of Tianjin University2019，25，5： | 4 |
| 6 | Preparation,mechanical,and thermal properties of a promising thermal barrier material:Y_(4)Al_(2)O_(9)显示文摘In our previous work,anisotropic chemical bonding,low shear deformation resistance,damage tolerance ability,low thermal conductivity,and moderate thermal expansion coefficient of Y_(4)Al_(2)O_(9)(YAM)were predicted.In this work,phase-pure YAM powders were synthesized by solid-state reaction between Y2O3 and Al_(2)O_(3)and bulk YAM ceramics were prepared by hot-pressing method.Lattice parameters and a new set of X-ray powder diffraction data were obtained by Rietveld refinement.The mechanical and thermal properties of dense YAM ceramics were investigated.The measured elastic moduli are close to the theoretical predicted values and the stiffness can be maintained up to 1400℃.The flexural strength and fracture toughness are 252.1±7.3 MPa and 3.36±0.20 MPa·m^(1/2),respectively.Damage tolerance of YAM was also experimentally proved.The measured average linear thermal expansion coefficient(TEC)of YAM is 7.37×10^(-6)K^(-1),which is very close to the theoretical predicted value.Using high-temperature X-ray diffraction(XRD)analysis,volumetric TEC is determined(23.37±1.61)×10^(-6)K^(-1)and the anisotropic TEC areaa=7.34×10^(-6)K^(-1),ab=7.54×10^(-6)K^(-1),andac=7.61×10^(-6)K^(-1). | Yanchun ZHOU Xinpo LU Huimin XIANG Zhihai FENG | 2015 | Journal of Advanced Ceramics2015，4，2： | 4 |
| 7 | Theoretical prediction on mechanical and thermal properties of a promising thermal barrier material:Y_(4)Al_(2)O_(9)显示文摘The mechanical and thermal properties of Y_(4)Al_(2)O_(9)were predicted using a combination of first-principles and chemical bond theory(CBT)calculations.Density functional theory(DFT)computations were performed for the structural,mechanical,and thermal properties,and the results were confirmed by chemical bond theory.Based on the calculated equilibrium crystal structure,heterogeneous bonding nature has been revealed,i.e.,Al-O bonds are stronger than Y-O bonds.Low second-order elastic constants c44,c55,and c66 demonstrate the low shear deformation resistance.Low G/B ratio suggests that Y_(4)Al_(2)O_(9)is a damage tolerant ceramic.Y_(4)Al_(2)O_(9)shows anisotropy in elastic behavior based on the discussion of direction dependence of Young’s modulus.The hardness is predicted to be 10.2 GPa from calculated elastic moduli.The thermal expansion coefficient(TEC)calculated by chemical bond theory is 7.51×10^(-6)K^(-1).In addition,the minimum thermal conductivity of Y_(4)Al_(2)O_(9)is estimated to be 1.13 W·m^(-1)·K^(-1),and the thermal conductivity decreases with temperature as 1305.6/T. | Yanchun ZHOU Huimin XIANG Xinpo LU Zhihai FENG Zhongping LI | 2015 | Journal of Advanced Ceramics2015，4，2： | 3 |
| 8 | Approach to lattice-related/content-specific spectral ranges of near-infrared diffuse reflectance spectroscopy of cefazolin sodium and the construction of a quantitative model for the determination of cefazolin sodium content in different crystal forms显示文摘Cefazolin sodium can form both - and -form crystals. It also can form dehydrated crystalline and amorphous products through different production processes. Because different polymorphic medicines usually have different physical and chemical properties, it is critical to emphasize the crystallization control of polymorphic medicines. Near-infrared (NIR) analysis, which incorporates a combination of NIR spectroscopic techniques and multivariate chemometric methods, is considered a powerful tool for the determination of the crystallinity of polymorphic drugs. The selection of optimal spectral ranges that correlate with the lattice specificity and content specificity is crucial to obtaining a specific NIR model. In the present work, near-infrared (NIR) spectra of cefazolin sodium with different crystal forms created through different processes were studied. The results suggest that wavelengths within the range of 9102.7-8597.5 cm-1 is related to the specificity of the cefazolin sodium crystal lattice and that the range of 6001.6-5496.4 cm-1 is associated with the quantitative content of cefazolin sodium. The two ab- sorptions are caused by the second overtone of the C-H stretching band (3υC-H) and the first overtone of C-H stretching band (2υC-H), respectively. Using these results, we established a suitable method of constructing a universal quantitative model by using mixed samples in different crystal forms as a calibration set, selecting a content-specific range (6001.6-5496.4 cm-1 ), and adding lattice-related spectral ranges where appropriate. This may provide a framework for the construction of prediction models for polymorphic medicines. | LIU YanYun FENG YanChun JIA YanHua HU ChangQin | 2013 | Science China Chemistry2013，56，6： | 3 |
| 9 | Recent progress in organic solar cells(PartⅡdevice engineering)显示文摘1 Introduction Organic solar cells(OSCs)belong to a multidisciplinary field composed of chemistry,materials science,physics,engineering,etc.For a better reviewing of this field,we briefly divide the research field of OSCs into two parts:material science and device engineering.In our previous review,the material science part of OSCs,including conjugated polymer donors and acceptors,small molecular donors and acceptors. | Yahui Liu Bowen Liu Chang-Qi Ma Fei Huang Guitao Feng Hongzheng Chen Jianhui Hou Lingpeng Yan Qingya Wei Qun Luo Qinye Bao Wei Ma Wei Liu Weiwei Li Xiangjian Wan Xiaotian Hu Yanchun Han Yaowen Li Yinhua Zhou Yingping Zou Yiwang Chen Yuqiang Liu Lei Meng Yongfang Li Yongsheng Chen Zheng Tang Zhicheng Hu Zhi-Guo Zhang Zhishan Bo | 2022 | Science China Chemistry2022，65，8： | 3 |
| 10 | General Trends in Electronic Structure, Stability, Chemical Bonding and Mechanical Properties of Ultrahigh Temperature Ceramics TMB_2(TM=transition metal)显示文摘The electronic structure, stability, chemical bonding and mechanical properties of 3d, 4d and 5d transition metal diboride TMB2 were investigated using first-principles calculations based on density functional theory. All the primary chemical bonds, i.e., metallic, ionic and covalent have contributions to the bonding of TMB2. The number of valence electrons of transition metals or the valence electron concentration(VEC) of TMB2 has strong effects on the lattice parameters, stability and mechanical properties of TMB2. Both lattice constants a and c decrease with VEC, but c decreases faster than a, which is attributed to the enhanced TM de B p(sp2) bonding. Bulk modulus B of TMB2 increases continuously with VEC due to the enhanced TM de B p(sp2) and TM dd bonding. Shear modulus G increases with VEC,reaching a maximum at VEC=3.33, and then decreases with further increase of VEC. YB2 and Mn B2 have low Young's modulus and are predicted to have good thermal shock resistance. According to Pugh's criterion(G/B < 0.571), Mn B2, Mo B2 and WB2are predicted as ductile or damage tolerant ultrahigh temperature ceramics(UHTCs). | Yanchun Zhou Huimin Xiang Zhihai Feng Zhongping Li | 2015 | Journal of Materials Science & Technology2015，31，3： | 3 |
| 11 | Optical visualization and polarized light absorption of the single-wall carbon nanotube to verify intrinsic thermal applications显示文摘The predicted extraordinary properties of carbon nanotubes(CNTs)from theoretical calculations have great potential for many applications.However,reliable experimental determination of intrinsic properties at the single-tube level is currently a matter of concern,and many challenges remain because of the unhandled and nanoscale size of individual nanotubes.Here,we demonstrated a prototype to detect the intrinsic thermal conductivity of the single-wall carbon nanotube(SWCNT)and verify the significant non-resonant optical absorption behavior on tiny nanotubes by integrating the nanotube and ice into a new core-shell design.In particular,a reversible optical visualization method based on the individual suspended ultra-long SWCNT was first developed by wrapping a nanotube with ice in the cryogenic air environment.The light-induced thermal effect on the hybrid core-shell structure was used tomelt the ice shell,which subsequently acted as a temperature sensor to verify the intrinsic thermal conductivity of the core-like nanotube.More interestingly,we successfully determined for the first time the thermal response phenomenon of the tiny absorption cross section in SWCNT in the vertical-polarization configuration and the significant non-resonant absorption behavior in the parallel-polarization configuration.These investigations will provide a better understanding for the unique optical behaviors of CNT and enable the detection of intrinsic properties of various one-dimensional nanostructures such as nanotubes,nanowires,and nanoribbons. | Xiao Zhang Li Song Le Cai Xuezeng Tian Qiang Zhang Xiaoying Qi Wenbin Zhou Nan Zhang Feng Yang Qingxia Fan Yanchun Wang Huaping Liu Xuedong Bai Weiya Zhou Sishen Xie | 2015 | Light(Science & Applications)2015，4，1： | 2 |
| 12 | Electronic structure and mechanical properties of layered compound YB_2C_2:A promising precursor for making two dimensional(2D) B_2C_2 nets显示文摘Layered compounds play pivotal roles as precursors for producing 2D materials through mechanical exfoliation(micro-mechanical cleavage) or chemical approaches. Therefore, searching for layered compounds with sharp anisotropic chemical bonding and properties becomes emergent. In this work, the stability, electronic structure, elastic properties, and lattice dynamics of YB_2C_2 were investigated. Strong anisotropy in elastic properties is revealed, i.e., high Young's modulus in a-b plane but low Young's modulus in c direction. The maximum to minimum Young's modulus ratio is 2.41 and 2.45 for YB_2C_2 with P42/mmc and P4/mbm symmetry, respectively. The most likely systems for shear sliding or microdelaminating are(001)[100] and(001)[010]. The anisotropic elastic properties are underpinned by the anisotropic chemical bonding, i.e., strong bonding within the B_2C_2 nets and weak bonding between Y atom layers and B_2C_2 nets. YB_2C_2 is electrically conductive and the contributions to the electrical conductivity are from delocalized Y 4de_g as well as B _2p_z and _ pzelectrons. The layered crystal structure, sharp anisotropic mechanical properties, and metallic conductivity endorse YB_2C_2 promising as a precursor for new 2D B_2C_2 nets. | Yanchun Zhou Huimin Xiang Xiaohui Wang Wei Sun Fu-Zhi Dai Zhihai Feng | 2017 | Journal of Materials Science & Technology2017，33，9： | 2 |
| 13 | Artificial neural network approach to predict the flow stress in the isothermal compression of as-cast TC21 titanium alloy显示文摘 | Yanchun Zhu Weidong Zeng Yu Sun Fei Feng Yigang Zhou | 2011 | Computational Materials Science2011，，5： | 2 |
| 14 | Shear anisotropy: Tuning high temperature metal hexaborides from soft to extremely hard显示文摘Easy machining into sharp lending edge, nose tip and complex shape components plays a pivotal role in the application of ultrahigh temperature ceramics in hypersonic vehicles, wherein low and controllable hardness is a necessary parameter to ensure the easy machinability. However, the mechanism that driving the hardness of metal hexaborides is not clear. Here, using a combination of the empirical hardness model for polycrystalline materials and density functional theory investigation, the hardness dependence on shear anisotropic factors of high temperature metal hexaborides has been established. It has come to light that through controlling the shear anisotropic factors the hardness of polycrystalline metal hexaborides can be tailored from soft and ductile to extremely hard and brittle, which is underpinned by the degree of chemical bonding anisotropy, i.e., the difference of B-B bond within the B_6 octahedron and that connecting the B_6 octahedra. | Yanchun Zhou Fuzhi Dai Huimin Xiang Bin Liu Zhihai Feng | 2017 | Journal of Materials Science & Technology2017，33，11： | 2 |
| 15 | Cr5Si3B and Hf5Si3B:New MAB phases with anisotropic electrical,mechanical properties and damage tolerance显示文摘Through a combination of electronic structure,chemical bonding and mechanical property investigations,anisotropic electrical and mechanical properties,and damage tolerant ability of MAB phases Cr_5Si_3B and Hf_5Si_3B are predicted.The anisotropic electrical conductivity is due to the anisotropic distribution of Cr in Cr_5Si_3B and Hf in Hf_5Si_3B,which mainly contribute to the electrical conductivity.The anisotropic mechanical properties are underpinned by the anisotropic chemical bonding within the crystal structures of Cr_5Si_3B and Hf_5Si_3B.The high stiffness is determined by the strong covalent-ionic Cr1 B Cr1 and Cr1 Si bonds in Cr_5Si_3B and the ionic-covalent Hf1 B Hf1 and Si B bonds in Hf_5Si_3B;while the low shear deformation resistance is attributed to the presence of metallic Cr Cr,Hf Hf and Si Si bond.Based on the low Pugh’s ratio,Cr_5Si_3B and Hf_5Si_3B are predicted tolerant to damage.The possible cleavage plane is(0001)and the possible slip systems are<1 100>|{11 20}and<11 20>|{0001}for both Cr_5Si_3B and Hf_5Si_3B. | Yanchun Zhou Huimin Xiang Fu-Zhi Dai Zhihai Feng | 2018 | Journal of Materials Science & Technology2018，34，8： | 1 |
| 16 | Successive Approxi- mation Training Algorithm for Feed Forward Neural Networks显示文摘 | Liang Yanchun Feng D P Lee H P | 2002 | Neurocomputing2002，42，14： | 1 |
| 17 | A Training Set Selection Strategy for a Universal Near Infrared Quanti- tative Model 显示文摘 | Jia Yanhua Liu Xuping Feng Yanchun | 2011 | AAPS PharmSciTech2011，12，2： | 1 |
| 18 | Construction of a universal quantitative model for the determination of azithro- mycin in granules using near-infrared diffuse reflectance spectros- copy 显示文摘 | Zou Wenbo Feng Yanchun Song Danqing | 2012 | Joumal of Chinese Pharmaceutical Sciences2012，21，005： | 1 |
| 19 | Identification and control of nonlinear systems by a dissimilation particle swarm optimization-based Elman neural network显示文摘 | GE Hongwei QIAN Feng LIANG Yanchun | 2008 | Nonlinear Analysis: Ileal World Applieations2008，9，： | 1 |
| 20 | Studies on composite coatings prepared by plasma spraying Fe 2 O 3 –Al self-reaction composite powders显示文摘 | Yanchun Dong Dianran Yan Jining He Xiangzhi Li Wenran Feng Hai Liu | 2003 | Surface & Coatings Technology2003，，2： | 1 |
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