通讯机构：
[Wang, Yanfei] U;Univ S China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
关键词：
Dry and wet immobilized Saccharomyces cerevisiae;Adsorption;Uranium
摘要：
Immobilized Saccharomyces cerevisiae (ISC) was prepared by the sodium alginate–gelatin embedding method after dry cells had been cross-linked by formaldehyde. Adsorption of uranium(VI) by incompletely and completely dry ISC was studied. The results indicated that incompletely dry ISC had greater adsorption capacity for U(VI), with physical adsorption being the primary mechanism, whereas completely dry ISC exhibited much greater rigidity and much smaller volume. Therefore, initial absorption of U(VI) by incompletely dry ISC followed by heating could be compared with glass solidification for disposal of radioactive waste. The influence of solution pH, temperature, and contact time on U(VI) absorption was also studied, with pH being found to be the main influencing factor. The adsorption mechanism of completely dry ISC was explored by scanning electron microscopy (SEM) and Fourier-transform infrared (FTIR) spectroscopy, indicating that the main adsorption mechanism is chemical adsorption.
作者机构：
[杨雨山; 彭国文] School of Resources and Safety Engineering, Central South University, Changsha 410083, China;[王晓亮; 彭国文] School of Chemistry and Chemical Engineering, University of South China, Hengyang 421001, China;[杨雨山; 彭国文; 胡南; 丁德馨] Key Discipline Lab. for National Defence for Biotechnology in Uranium Mining and Hydrometallurgy, University of South China, Hengyang 421001, China
通讯机构：
Key Discipline Lab. for National Defence for Biotechnology in Uranium Mining and Hydrometallurgy, University of South China, China
作者机构：
[廖力夫; 聂长明; 肖锡林; 彭国文] School of Chemistry and Chemical Engineering, University South China, Hengyang 421001, Hunan, China;[杨胜园; 肖方竹] School of Public Health, University South China, Hengyang 421001, Hunan, China;[聂长明] Laboratory of Quantum Chemistry and Physics, University of Paul Sabatier(Toulouse-III), Toulouse 31077, France;[杨胜园] State Key Laboratory of Chemo-Biosensing and Chemometrics, Hunan University, Changsha 410082, Hunan, China
通讯机构：
School of Chemistry and Chemical Engineering, University South China, China
作者机构：
School of Resources and Safety Engineering, Central South University, Changsha 410083, Hunan, China;[丁德馨; 胡南] Key Discipline Lab. for National Defence for Biotechnology in Uranium Mining and Hydrometallurgy, University of South China, Hengyang 421001, Hunan, China;[王晓亮] School of Chemistry and Chemical Engineering, University of South China, Hengyang 421001, Hunan, China;[彭国文] School of Resources and Safety Engineering, Central South University, Changsha 410083, Hunan, China<&wdkj&>Key Discipline Lab. for National Defence for Biotechnology in Uranium Mining and Hydrometallurgy, University of South China, Hengyang 421001, Hunan, China<&wdkj&>School of Chemistry and Chemical Engineering, University of South China, Hengyang 421001, Hunan, China;[杨雨山] School of Resources and Safety Engineering, Central South University, Changsha 410083, Hunan, China<&wdkj&>Key Discipline Lab. for National Defence for Biotechnology in Uranium Mining and Hydrometallurgy, University of South China, Hengyang 421001, Hunan, China
通讯机构：
Key Discipline Lab. for National Defence for Biotechnology in Uranium Mining and Hydrometallurgy, University of South China, China
作者机构：
[聂长明; 肖方竹] School of Public Health, University South China, Hengyang 421001, Hunan, China;[杨胜园; 彭国文] School of Chemistry and Chemical Engineering, University South China, Hengyang 421001, Hunan, China;[聂长明] Laboratory of Quantum Chemistry and Physics, University of Paul Sabatier (Toulouse-III), Toulouse 31077, France;[杨胜园] State Key Laboratory of Chemo-Biosensing and Chemometrics, Hunan University, Changsha 410082, Hunan, China
通讯机构：
School of Chemistry and Chemical Engineering, University South China, China
关键词：
chemical behavior of topology;valence electron;QSPR;lanthanide;actinide
摘要：
We introduce the chemical behavior of topology for the first time which consists of the topological growing power and the topological blocking power. On the basis of the principle, the OET (orbital-energy topological index) was proposed by revising the valence electron distance matrix with the orbital energy. The results demonstrate that OET has good application to the physicochemical properties of lanthanide and actinide, especially to the spectral properties which have not been reported by means of QSPR (quantitative structure-property relationships). The results of LOO CV (leave-one-out cross-validation) verify the good stability and predictive ability of the models using the cross-validation parameters: PRESS/SSY, SEPCV, R CV, SPRESS and PSE with the PRESS/SSY ratio ranging between 0.000 6 and 0.114 8. Compared with the other methods, this work provides an easier way yielding results close to or better than the others. It is on the basis of the chemical behavior of topology that leads to the good and wide application of this method.
