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Low Mantle Perovskite:Solid Solution, Spin State of Iron and water solubility

Acta Geologica Sinica(English Edition) 2014年第6期88卷 1884-1894页

作者： LI Lin LI Qing LI Sheng-Rong State Key Laboratory of Geological Processes and Mineral Resources China University of Geosciences Beijing Institute of Science Research China University of Geosciences Beijing School of Earth Sciences and Resources China University of Geosciences School of Earth Sciences and Resources China University of Geosciences Beijing

Silicate perovskites（（Mg, Fe）SiO 3 and CaS iO 3） are believed to be the major constituent minerals in the lower mantle. The phase relation, solid solution, spin state of iron and water solubility related to the lower mantle perovskite are of great effect on the geodynamics of the Earth＇s interior and on ore mineralization. Previous studies indicate that a large amount of iron coupled with aluminum can incorporate into magnesium perovskite, but this is discordant with the disproportionation of（Mg,Fe）SiO 3 perovskite into iron-free MgS i O3 perovskite and hexagonal phase（Mg0.6Fe0.4）SiO 3 in the Earth＇s lower mantle. MnS iO 3 is the first chemical component confirmed to form wide range solid solution with Ca SiO 3 perovskite and complete solid solution with MgS i O3 perovskite at the P-T conditions in the lower mantle, and addition of Mn Si O3 will strongly affects the mutual solubility between Mg Si O3 and CaS iO 3. The spin state of iron is deeply depends on the site occupation of the Fe3＋or Fe2＋, the synthesis and the annealing conditions of the sample. It seems that the spin state of Fe2＋ in the lower mantle perovskite can be settled as high spin, however, the existence of intermediate spin or low spin state of Fe2＋ in perovskite has not been clarified. Moreover, different results have also been reported for the spin state of Fe3＋ in perovskite. The water solubility of the lower mantle perovskite is related with its composition. In pure Mg SiO 3 perovskite, only less than 500 ppm water was reported. Al–Mg Si O3 perovskite or Al–Fe–MgS iO 3 perovskite in the lower mantle accommodates water of 1100 to 1800 ppm. Further experiments are necessary to clarify the detailed conditions for perovskite solid solution, to reliably analyze the valence and spin states of iron in the coexisting iron-bearing phases, and to compare the water solubility of different phases at different layers for deeply understanding the geodynamics of the Earth＇s interior and ore mineralization.

关键词： solid solution spin state of iron water solubility perovskite low mantle

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Effect of Liquid-phase Oxidation Impurities on solubility of water in Hydrocarbon Fuels

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火炸药学报 2018年第3期41卷 230-235页

作者： A.A.Boriaev SaintPetersburgStateUniversityofArchitectureandCivilEngineering 4VtorayaKrasnoarmeyskayaSt. SaintPetersburg 199005Russia

The effect of liquid-phase oxidation impurities on the solubility of water in hydrocarbon fuels was *** results show that the concentration of polar surfactant molecules in the first region increases(true solution)during fuel oxidation,and since the oxidation groups(-COOH,-O=O,-OH,etc.)have similar dipole momentμ,the dielectric loss tangent tanδincreases linearly in this region with surfactant *** further oxidation,micelle structures begin to form at a certain *** formation leads to a sharp decrease in the dipole moment attributable to the monomer unitμ/n,where nis the number of molecules in a micelle.A several-fold decrease in the dipole moment leads to a sharp drop in tanδ.Upon further increase in the number and size of micelles,the dipole moment remains practically unchanged,and the dielectric loss tangent begins to increase linearly again with surfactant *** the critical concentration for micelle formation is achieved upon further oxidation of hydrocarbon liquids,micelle formation processes occur spontaneously in the solution,and the true solution becomes a colloidal system(sol).The resulting micelles are structured with hydrocarbon radicals of molecules toward the outside and hydrophilic(polar)groups toward the *** molecules are located inside micelles and held so securely that water molecules do not aggregate as temperature *** reason for significant differences in the equilibrium solubility of water in hydrocarbon fuels is the different oxidation factors of product samples,resulting from the accumulation of various concentrations of oxidation products,which are natural surfactants,in hydrocarbon fuels.

关键词： water solubility hydrocarbon fuels oxidation factor

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solubility of water in bridgmanite

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Acta Geochimica 2023年第6期42卷 998-1006页

作者： Wenhua Lu Yuan Li State Key Laboratory of Isotope Geochemistry Guangzhou Institute of GeochemistryChinese Academy of SciencesGuangzhou 510640China CAS Center for Excellence in Deep Earth Science Guangzhou 510640China College of Earth and Planetary Sciences University of Chinese Academy of SciencesBeijing 100049China

water in Earth's mantle plays a critical role in both geodynamic and surficial *** in the upper mantle and transition zone is widely discussed,but less is known about the water in the lower mantle despite it constituting over half of Earth's *** the water storage in Earth's lower mantle relies on comprehending the water solubility of bridgmanite,which is the most abundant mineral both in the lower mantle and throughout ***,due to limited access to the lower mantle,our understanding of water in bridgmanite mainly comes from laboratory experiments and theoretical calculations,and a huge controversy still *** this paper,we provide a review of the commonly employed research methods and current findings concerning the solubility of water in *** factors,such as pressure,temperature,compositions,etc.,that influence the water solubility of bridgmanite will be discussed,along with insights into future research directions.

关键词： water solubility Bridgmanite Lower mantle Habitability

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Quantitative structure-property relationship of aromatic sulfur-containing carboxylates

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Journal of Environmental Sciences 2003年第6期15卷 721-727页

作者： LIUXin-hui YANGZhi-feng WANGLian-sheng StateKeyLaboratoryofEnvironmentalSimulationandPollutionControl InstituteofEnvironmentalSciencesBeijingNormalUniversityBeijing100875China. SchooloftheEnvironment NanjingUniversityNanjing210093China

Based on quantum chemical calculations, TLSER model(theoretical linear solvation energy relationships) and atomic charge approach were applied to model the partition properties(water solubility and octanol/water partition coefficient) of 96 aromatic sulfur-containing carboxylates, including phenylthio, phenylsulfinyl and phenylsulfonyl carboxylates. In comparison with TLSER models, the atomic charge models are more accurate and reliable to predict the partition properties of the kind of compounds. For the atomic charge models, the molecular descriptors are molecular surface area(S), molecular shape(O), weight(M W), net charges on carboxyl group(Q OC), net charges of nitrogen atoms(Q N), and the most negative atomic charge(q -) of the solute molecule. For water solubility(log S W) and octanol/water partition coefficient(log K OW), the correction coefficients r 2 adj(adjusted for degrees of freedom) are 0.936 and 0.938, and the standard deviations are 0.364 and 0.223, respectively.

关键词： octanol/water partition coefficient water solubility atomic charge model TLSER quantum chemical descriptor

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SYNTHESIS OF POLYELECTROLYTIC POLYACETYLENE DERIVATIVES BY QUATERNIZATION OF POLY(PYRIDYLACETYLENE)

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Chinese Journal of Polymer Science 2011年第2期29卷 133-140页

作者：孙景志唐本忠 Department of Polymer Science and Engineering MOE of Key Laboratory of Macromolecular Synthesis and FunctionalizationZhejiang University Department of Chemistry The Hong Kong University of Science & TechnologyClear Water BayKowloonHong KongChina

Functional polyacetylenes containing pyridinium side groups（PPyA-MX,X = Br and I） were successfully *** techniques such as ^1H-NMR,^（13）C-NMR,and FTIR spectroscopy were used to characterize the structure of the obtained *** characterization data were well consistent with the expected macromolecular ***-MI had good solubility in polar organic solvents and low solubility in water,while PPyA-MBr had good solubility in both polar organic solvents and water.

关键词： Polyacetylene derivative Polyelectrolyte Characterization water solubility Thermal stability

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Facile and Scalable Synthesis of a Highly Hydroxylated water-Soluble Fullerenol as a Single Nanoparticle

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Nano Research 2011年第2期4卷 204-215页

作者： Ken Kokubo Shogo Shirakawa Naoki Kobayashi Hisae Aoshima Takumi Oshima Division of Applied Chemistry Graduate School of Engineering Osaka University Suita Osaka 565-0871 Japan Vitamin C60 BioResearch Corporation 1-3-19 Yaesu Chuo-ku Tokyo 103-0028 Japan

A water-soluble polyhydroxylated fullerene, i.e., a fullerenol, with 44 hydroxyl groups and 8 secondary bound water molecules, C60（OH）44·8H2O （estimated average structure）, has been synthesized in a facile one step reaction from pristine C60 by hydroxylation with hydrogen peroxide in the presence of a phase-transfer catalyst, tetra-n-butylammonium hydroxide （TBAH）, under organic/aqueous bilayer conditions. The fullerenol exhibited high water solubility, up to 64.9 mg/mL, under neutral （pH = 7） conditions. Dynamic light-scattering （DES） analysis showed a narrow particle size distribution, of 1-2 nm, indicating that the fullerenol had high dispersion properties in water. The results of particle size analyses, which botll focused on a single nanoregion and were conducted using a novel induced grating （IG） method and a scanning probe microscope （SPM）, were consistent with the DES results. A plausible reaction mechanism, which includes fullerene oxide intermediates detected by liquid chromatography-mass spectrometry （LC-MS）, has been proposed.

关键词： Fullerene fullerenol hydroxyl group nanoparticle water solubility

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Preparation and Properties of water-based Conducting Polyaniline

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Chemical Research in Chinese Universities 1998年第3期14卷 87-92页

作者： WANG Xian-hong GENG Yan-hou YU Lei SUN Zai-cheng Li Ji JING Xia-bin WANG Fo-song LEE Chang-jin RHEE Suh-bong Polymer Chemistry Lab Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun130022 Korea Research Institute of Chemical Technology Taejeon 305-600Korea

A convenient way to prepare water soluble or water dispersible conducting polyaniline was developed by employing protonic acid dopants containing hydrophilic ethyleneoxide oligomer as counter-ion. The conducting polyaniline possesses electrical conductivity in the range of 10^(-3) to 10^(-2)S/cm depending on the chosen dopant, and it displays an excellent electrochemical redox reversibility in non aqueous systems.

关键词： Conducting polyaniline water solubility water dispersibility

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Synthesis of Fullerene-Acrylamide Copolymer Nanoball and Its Lubrication Properties

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Chinese Journal of Chemistry 2004年第8期22卷 877-881页

作者：江贵长官文超郑启新 Department of Chemistry Huazhong University of Science and Technology Wuhan Hubei 430074 China Department of Chemistry Huainan Teachers college Huainan Anhui 232001 China Department of Chemistry Huazhong University of Science and Technology Wuhan Hubei 430074 China

A novel fullerene-acrylamide copolymer was synthesized via radical polymerization. It is soluble in polar sol- vents such as water, dimethyl sulfoxide etc. The product was characterized by FTIR, UV-Vis and GPC. TEM analy- sis shows that the average particle diameter is about 46 nm. Four-ball tests show that the addition of a certain con- centration of the fullerene copolymer to base stock (2 wt% triethanolamine and 0.5 wt% OPZ aqueous solution) can effectively raise the load-carrying capacity (PB value) and the antiwear ability. SEM analysis shows that the addition results in reducing diameter of wear scar and decreasing wear.

关键词： fullerene-acrylamide copolymer water solubility lubrication property nanoball

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Strong dual-state emission of unsymmetrical and symmetrical thiazolothiazole-bridged imidazolium salts

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Chinese Chemical Letters 2023年第3期34卷 415-418页

作者： Puhui Xie Ying Zhou Xiaochuan Li Xiaojing Liu Lijie Liu Zhanqi Cao Jianji Wang Xin Zheng College of Sciences Henan Agricultural UniversityZhengzhou 450002China Henan Institute of Advanced Technology Zhengzhou UniversityZhengzhou 450003China Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals Key Laboratory of Green Chemical Media and ReactionsMinistry of EducationSchool of Chemistry and Chemical EngineeringHenan Normal UniversityXinxiang 453007China

A novel thiazolothiazole-bridged imidazole derivative(1) was found to exhibit blue fluorescence in gaseous state or in methanol and yellow fluorescence in solid state. The N-alkylation of imidazole subunit(s) in 1 using n-propyl iodide generated unsymmetrically or symmetrically alkylated thiazolothiazolebridged imidazolium salts with good water solubility and remarkably strong emission in solution. Furthermore, the replacement of iodide counter-anion by triflate or bis(trifluoromethane sulfonyl)imide achieved remarkably strong emission in solid state and in solution as well as good water solubility. The strong fluorescence of dicationic salts with triflate and NTf_(2)^(-)counter-anions in solid state can be ascribed to their twisted and rigid structures induced by interionic C-H···F hydrogen bonding.

关键词： Dual-state fluorescence Unsymmetrical TTz-bridged imidazolium water solubility N-Alkylation of imidazole Twisted and rigid structures

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Hydrophilic phytosterol derivatives: A short review on structural modifications, cholesterol-lowering activity and safety

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Grain & Oil Science and Technology 2022年第3期5卷 146-155页

作者： Yuyuan Hu Chuanguo Ma Xiaowei Chen Ge Bai Shujing Guo College of Food Science and Engineering Henan University of TechnologyZhengzhou 450001China

Phytosterols have received extensive attention owing to their excellent cholesterol-lowering activity and the role in cardiovascular diseases prevention. However, poor solubility in both oil and water limited the application of free phytosterols in the food industry. Chemical or enzymatic modifications were effective to improve the physicochemical properties as well as the bioavailability and cholesterollowering activity of phytosterols. Higher oil solubility and lower melting point of phytosterols have been achieved by esterification and transesterification with fatty acids and triacylglycerols so as to enhance the bioavailability, reduce formation of precipitates, and improve the sensory quality of *** the researches on the improvement on its water solubility is a hot topic. Hydrophilic phytosterol derivatives have promising applications in the food industry because most of foods belong to aqueous matrix. Hydrophilic modification is useful and meaningful for phytosterols in both industrial and commercial applications. This review mainly highlights the hydrophilic phytosterol derivatives in the following aspects:(i) hydrophilic modifications of phytosterols by coupling with various polar components;(ii) cholesterol-lowering activity and possible molecular mechanisms of hydrophilic phytosterol derivatives on reducing serum cholesterol level;and(iii) safety evaluation of hydrophilic phytosterol derivatives in cell-culture studies, animal models and clinical trials.

关键词： Hydrophilic modification Hydrophilic phytosterol derivatives water solubility Cholesterol-lowering Mechanism

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