A new boroantimonate K2SbB3O8 has been synthesized by high-temperature solidstate reactions, and its crystals have been obtained by the flux method. The crystal structure has been determined from single-crystal X-ray ...A new boroantimonate K2SbB3O8 has been synthesized by high-temperature solidstate reactions, and its crystals have been obtained by the flux method. The crystal structure has been determined from single-crystal X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P21/c with a = 5.8890（2）, b = 11.0512（4）, c = 10.8951（4）A, β =103.200（4）°, V = 690.32（4） A^3, Z = 4, F（000） = 672, ρc = 3.467 g/cm^3, Mr = 360.38 and μ = 5.215mm^-1. Its structure feature is a three-dimensional framework composed of SbO6 octahedra and isolated [B3O8]^7- groups with K＋ cations residing in the one-dimensional tunnels along the a-axis.Interestingly, the isolated [B3O8]^7- groups are distinct from the known [B3O8]^7- groups, which always connect to each other. The UV-vis-NIR absorption, thermal stability and infrared spectrum are also discussed in this paper.展开更多
Near infrared spectroscopy （NIR） is now probably the most popular process analytical technology （PAT） for pharmaceutical and some other industries. However, unlike mid-IR, NIR is known to have difficulties in moni...Near infrared spectroscopy （NIR） is now probably the most popular process analytical technology （PAT） for pharmaceutical and some other industries. However, unlike mid-IR, NIR is known to have difficulties in monitoring crystallization or precipitation processes because the existence of solids could cause distortion of the spectra. This phenomenon, seen as unfavorable previously, is however an indication that NIR spectra contain rich information about both solids and liquids, giving the possibility of using the same instrument for multiple property characterization. In this study, transflectance NIR calibration data was obtained using solutions and slurries of varied solution concentration, particle size, solid concentration and temperature. The data was used to build calibration models for prediction of the multiple properties of both phases. Predictive models were developed for this challenging application using an approach that combines genetic algorithm （GA） and support vector machine （SVM）. GA is used for wavelength selection and SVM for mode building. The new GA-SVM approach is shown to outperform other methods including GA-PLS （partial least squares） and traditional SVM. NIR is thus successfully applied to monitoring seeded and unseeded cooling crystallization processes of L-glutamic acid.展开更多
基金Supported by NSFC(21171166,21222102,21301172,21373220,21571178,21525104,51277091,51402296,51502288 and 51502290)Chunmiao Project of Haixi Institute of Chinese Academy of Sciences(CMZX-2015-003)NSF of Fujian Province(2015J01219,2015J05040)
文摘A new boroantimonate K2SbB3O8 has been synthesized by high-temperature solidstate reactions, and its crystals have been obtained by the flux method. The crystal structure has been determined from single-crystal X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P21/c with a = 5.8890（2）, b = 11.0512（4）, c = 10.8951（4）A, β =103.200（4）°, V = 690.32（4） A^3, Z = 4, F（000） = 672, ρc = 3.467 g/cm^3, Mr = 360.38 and μ = 5.215mm^-1. Its structure feature is a three-dimensional framework composed of SbO6 octahedra and isolated [B3O8]^7- groups with K＋ cations residing in the one-dimensional tunnels along the a-axis.Interestingly, the isolated [B3O8]^7- groups are distinct from the known [B3O8]^7- groups, which always connect to each other. The UV-vis-NIR absorption, thermal stability and infrared spectrum are also discussed in this paper.
基金UK Engineering and Physical Sciences Research Council for funding the research (EPSRCGrant Reference: EP/C001788/1)
文摘Near infrared spectroscopy （NIR） is now probably the most popular process analytical technology （PAT） for pharmaceutical and some other industries. However, unlike mid-IR, NIR is known to have difficulties in monitoring crystallization or precipitation processes because the existence of solids could cause distortion of the spectra. This phenomenon, seen as unfavorable previously, is however an indication that NIR spectra contain rich information about both solids and liquids, giving the possibility of using the same instrument for multiple property characterization. In this study, transflectance NIR calibration data was obtained using solutions and slurries of varied solution concentration, particle size, solid concentration and temperature. The data was used to build calibration models for prediction of the multiple properties of both phases. Predictive models were developed for this challenging application using an approach that combines genetic algorithm （GA） and support vector machine （SVM）. GA is used for wavelength selection and SVM for mode building. The new GA-SVM approach is shown to outperform other methods including GA-PLS （partial least squares） and traditional SVM. NIR is thus successfully applied to monitoring seeded and unseeded cooling crystallization processes of L-glutamic acid.
