Design method of extractant for liquid-liquid extraction based on elements and chemical bonds

In the petrochemical industry process, the relative volatility between the components to be separated is close to one or the azeotrope that systems are difficult to separate. Liquid-liquid extraction is a common and effective separation method, and selecting an extraction agent is the key to extraction technology research. In this paper, a design method of extractants based on elements and chemical bonds was proposed. A knowledge-based molecular design method was adopted to pre-select elements and chemical bond groups. The molecules were automatically synthesized according to specific combination rules to avoid the problem of “combination explosion” of molecules. The target properties of the extractant were set, and the extractant meeting the requirements was selected by predicting the correlation physical properties of the generated molecules. Based on the separation performance of the extractant in liquid-liquid extraction and the relative importance of each index, the fuzzy comprehensive evaluation membership function was established, the analytic hierarchy process determined the mass ratio of each index, and the consistency test results were passed. The results of case study based on quantum chemical analysis demonstrated that effective determination of extractants for the analysis of benzene-cyclohexane systems. The results unanimously prove that the method has important theoretical significance and application value.

Rare-Element Pegmatites Rocks Rich and Li of the Aïr Massif of the Tchirozerine: Mineralogy and Chemical Composition Agadez Region-Northem Niger

The lithium potential in the Aïr massif is represented by mineral index of spodumene pegmatites and, lepidolite pegmatites. The mineral deposits of lithium occur in cluster or veins that cut the host rock or are located near the contact between the greenstone belt and granitic massif. The evidence of lithium is in the form of clusters or disseminated and stockwerk. Mineralogical characteristics show similarities between the Air Massif pegmatites and indicate the same homogenous source during the magma-generation process. The pegmatite rocks attracted the attention due to their wide exposure and composition, well appearance, and economically hosting of significant rare earth metals such as Sn and W. The mineralogical and petrographical investigations on the eight pegmatites rocks samples observed have a relative similarity, while a little difference in the shapes attributed to the ratio in the pegmatite rocks of the minerals. The occurrence of the kink band indicates the influence of the tectonic processes which affected the Aïr massif after the emplacement of late magmatic or post-magmatic pegmatites by injection into fractured rocks in the upper part of the crust. The Air Massif pegmatite has higher concentrations Li and of all trace elements except Hf and occasionally Zr, Ti, Sn and Mg of for the economic exploration.

Preliminary Study of Chemical Elements Distribution in Petroleum Source Rocks Donga and Yogou Formations of the Termit Sedimentary Basin (Est-Niger)

XRF and EDX analyses were carried out on 18 batches of representative raw samples to determine the distribution of major chemical elements in the petroleum source rocks of Donga and Yogou formations of Termit sedimentary basin. The chemical composition of these formations is dominated by silicon (Si), aluminum (Al) and iron (Fe). This is consistent with the oxide composition, which is also dominated by silicon oxide (SiO2), aluminum oxide (Al2O3) and iron monoxide (FeO). No less important chemical elements are calcium (Ca), potassium (K), sulfur (S), titanium (Ti), magnesium (Mg), manganese (Mn) and barium (Ba), as well as some of their oxides. All these major chemical elements are carried by silicate detrital minerals associated with pyrite and goethite and/or clay minerals such as kaolinite and interstratified illite, smectite and chlorite. This trend is illustrated by the values of the Si/Al and SiO2/Al2O3 ratios.

The autophagy-lysosome pathway:a potential target in the chemical and gene therapeutic strategies for Parkinson’s disease

Parkinson’s disease is a common neurodegenerative disease with movement disorders associated with the intracytoplasmic deposition of aggregate proteins such asα-synuclein in neurons.As one of the major intracellular degradation pathways,the autophagy-lysosome pathway plays an important role in eliminating these proteins.Accumulating evidence has shown that upregulation of the autophagy-lysosome pathway may contribute to the clearance ofα-synuclein aggregates and protect against degeneration of dopaminergic neurons in Parkinson’s disease.Moreover,multiple genes associated with the pathogenesis of Parkinson’s disease are intimately linked to alterations in the autophagy-lysosome pathway.Thus,this pathway appears to be a promising therapeutic target for treatment of Parkinson’s disease.In this review,we briefly introduce the machinery of autophagy.Then,we provide a description of the effects of Parkinson’s disease–related genes on the autophagy-lysosome pathway.Finally,we highlight the potential chemical and genetic therapeutic strategies targeting the autophagy–lysosome pathway and their applications in Parkinson’s disease.

Toward understanding the role of genomic repeat elements in neurodegenerative diseases

Neurodegenerative diseases cause great medical and economic burdens for both patients and society;however, the complex molecular mechanisms thereof are not yet well understood. With the development of high-coverage sequencing technology, researchers have started to notice that genomic repeat regions, previously neglected in search of disease culprits, are active contributors to multiple neurodegenerative diseases. In this review, we describe the association between repeat element variants and multiple degenerative diseases through genome-wide association studies and targeted sequencing. We discuss the identification of disease-relevant repeat element variants, further powered by the advancement of long-read sequencing technologies and their related tools, and summarize recent findings in the molecular mechanisms of repeat element variants in brain degeneration, such as those causing transcriptional silencing or RNA-mediated gain of toxic function. Furthermore, we describe how in silico predictions using innovative computational models, such as deep learning language models, could enhance and accelerate our understanding of the functional impact of repeat element variants. Finally, we discuss future directions to advance current findings for a better understanding of neurodegenerative diseases and the clinical applications of genomic repeat elements.

Effects of Feed Fermentation on Chemical Fractionation of Trace Elements in Feed and Pig Manure and Skatole Content in Pig Manure

[Objective] This study aimed to promote the combination of cultivation and livestock farming, and to explore an environment-protecting farming style. [Method]The effects of anaerobically fermented complete compound sow feed, added with Lactobacillus and Bacillus subtilis, on the chemical fractionation of copper, iron, zinc and manganese in feed and pig manure and skatole content in pig manure were investigated. [Result] Compared with those in the non-fermented feed, in the fermented feed and pig manure, the acetic acid-extractable copper, iron, zinc and manganese contents increased significantly（P0.05）, the reduced copper and iron contents increased significantly（P 0.05）, the oxidized copper and iron contents reduced significantly（P0.05）, and the residual copper contents remained unchangeable（P0.05）. The pH value of fermented feed decreased significantly（P0.05）, and that of pig manure increased significantly（P0.05）. The skatole content in pig manure decreased significantly（P 0.01）. The Lactobacillus abundance and amylase and cellulase activity increased significantly（P 0.05）. [Conclusion] The fermentation of feed changed the chemical fractionation of copper, iron, zinc and manganese in feed and pig manure, and reduced the manure odor.

The Background Features and Formation of Chemical Elements of Groundwater in the Region of the Middle and Lower Reaches of the Yangtze River

The paper deals with the background features, formation and distribution of the chemical el-ements K, Na, Ca, Mg, Si, Fe, Mn, Cr, Ni,V, Co, Ti, Mo, Cu, Pb, Zn, As, Hg, Cd, Be, Li, Sr, B,F, Cl, Br and I in the groundwater in the region of the middle and lower reaches of the YangtzeRiver and their relations to the composition of the water-bearing media, properties of the overly-ing rocks and soils, redox environment, and groundwater flow condition, mineralization and pHof groundwater.

Phases of Environmental Evolution Indicated by Primary Chemical Elements and Paleontological Records in the Upper Pleistocene-Holocene Series for the Salawusu River Valley,China

Studies of lithology, sedimentary facies and the distribution regularity of SiO2 and Al2O3 contents and Al2O3/SiO2 ratio allow us to divide the Upper Pleistocene-Holocene Series represented by the MUanggouwan section in China＇s Salawnsu River valley into six segments： MGS1, MGS2, MGS3, MGS4, MGS5 and MGS6. The boundary ages for MGS1 （the Dishaogouwan and Dagouwan Formations）, MGS2 （the upper Chengchuan Formation）, MGS3 （the middle Chengchuan Formation）, MGS4 （the lower Chengchuan Formation）, MGS5 （most strata of the Salawusu Formation） and MGS6 （the bottom of the Salawusu Formation and the top of the Lishi Formation） correspond to those of MIS1, MIS2, MIS3, MIS4, MISS and MIS6, respectively, from deep sea sediments or continental glaciers. MGS5 can be subdivided into five subsegments （MGS5a, MGS5b, MGS5c, MGS5d and MGS5e） and the boundary ages of these subsegments correspond to those of MISSa, MISSb, MIS5c, MIS5d and MIS5e, respectively. Based on the paleoenvironment and paleoecology indicated by the primary chemical elements, fossil vertebrates, mollusks and pollen grains, we hypothesize that MGS1, MGS2, MGS3, MGS4, MGS5 and MGS6 and the subsegments of MGS5 match the corresponding stages for oxygen isotopes in the deep sea sediments and continental glaciers, and the substages of MIS5 in terms of climatic characters, further explaining the phenomena that determined the formation of the late Quaternary strata and the paleontology of the Salawusu River valley. These phenomena relate to fluctuations in the global climate （and particularly in the East Asian monsoon） during the glacial and interglacial periods.

Chemical weathering intensity and element migration features of the Xiashu loess profile in Zhenjiang, Jiangsu Province

The chemical weathering intensity and element migration features of the Xiashu loess profile in Zhenjiang are studied in this paper.（1）The Xiashu loess profile underwent moderate chemical weathering.It seems that the precipitation is a more important factor than the temperature in controlling the process of the chemical weathering.（2）The major elements such as Si,K,Na,Ca,Mg,Mn and P were migrated and leached,while the elements Fe and Ti were slightly enriched.The migration features of the major elements reveal that the Xiashu loess finished the primary process of chemical weathering characterized by leaching of Ca and Na,and almost reached the secondary process characterized by leaching of K.Except the elements Sr and Ga,other trace elements such as Th,Ba,Cu,Zn,Co,Ni,Cr and V were enriched.It might be caused by both the biogeochemical process and the adsorption of trace elements by clay mineral and organic materials.（3）The difference of element migration down the Xiashu loess profile reveals that the climate was warm and wet at the early-middle stage of the middle Pleistocene.At the end of the middle Pleistocene,it became dry and cool.At the early stage of the Late Pleistocene,the paleoclimate became warm and wet again.As a whole,the paleoclimate generally became drier and cooler in this region from the beginning of the middle Pleistocene.

THE EFFECT OF DRAINAGE ON CHEMICALELEMENTS CONTENT OF MARSH

This paper takes marsh in the Sanjiang Plain as an example in order to research the effect of draining on the chemical elements in marsh. The Sanjiang Ecological Test Station of Mire and Uetland serves as the resarch base. The authors selected soil samples in the Sanjiang Plain (the top and the end of the drain, marsh soil and degeneration marsh soil), mainly analyzed contents of main ions (HCO 3 ? , Cl?, SO 4 2? and NO 3 ? ), main heavy metals (Fe, Mn, Zn and Cu), nutritive elements (N, P, K), organic matter and pH value. By testing these samples as above, the paper initially researches the effect on chemical elements content by draining by the means of the contrast of chemical elements contents between marsh soil and degenerative marsh soil and different characteristics of marsh soil elements. Results show that a lot of chemical elements had been lost because of draining.

Estimating heat capacities of liquid organic compounds based on elements and chemical bonds contribution

Molecular property depends on the property, the number of the elements, and the interaction between elements(such as chemical bonds). Based on the above-mentioned idea, two methods to estimate the isobaric heat capacity of liquids organic compounds were developed. Ten elements groups and 32 chemical bond groups were defined by considering the structure of organic compounds. The group contribution values and correlation parameters were regressed by the ridge regression method with the experiment data of 1137 compounds. The heat capacity can be calculated by summating the contributions of the elements and chemical bond groups. The two methods were compared with existing group contribution methods, such as Chickos, Zabransky-Ruzicka, and Zdenka Kolska. The results show that those new estimation methods' overall average relative deviations were 5.81% and 5.71%, which were lower than the other three methods. Those methods were more straightforward in compound splitting.Those new methods can be used to estimate the liquid heat capacity of silicon-containing compounds,which the other three methods cannot estimate. The new methods are more accessible, broader, and more accurate. Therefore, this research has important scientific significance and vast application prospects.

Concentration Characteristics and Sources of Chemical Elements in Atmospheric Fine Particles (PM_(2.5)) in Autumn in Xi'an City

[Objective] The aim was to study the concentration characteristics and sources of chemical elements in atmospheric fine particles (PM2.5) in autumn in Xi’an City. [Method] By means of mini-volume sampler, PM2.5 samples in atmosphere in Xi’an were collected in October 2009, and the concentration characteristics and sources of elements in PM2.5 were analyzed. [Result] The average mass concentration of PM2.5 in atmosphere in autumn in Xi’an City was 168.44 μg/m3 which was higher than that of Beijing and Pearl River Delta area, and the minimum and maximum value were 53.29 and 358.16 μg/m3, respectively. The mass concentration of S, Zn, K, Cl, Ca and Fe in PM2.5 was above 1.0 μg/m3, being at high pollution level. In addition, K had obvious correlation with organic carbon (OC) and element carbon (EC), with the correlation coefficients of 0.76 and 0.75 (P<0.000 1), respectively, and it showed that OC and EC had the same source as K, namely biomass burning had certain contribution to OC and EC. Enrichment factors analysis revealed that K, Ca, Fe, Ti, Mn and Cr mainly came from earth crust, rock weathering and other natural sources, while anthropogenic pollution sources had great effects on S, Zn, Cl, Pb, Br, Mo, Cd and As which were affected by soil dust and other natural sources slightly, and Cd had the highest enrichment factor and mainly came from metal smelting. In a word, coal combustion, biomass burning, vehicle emissions, metallurgical, chemical industry and dust were the main sources of PM2.5 in autumn in Xi’an. [Conclusion] The study could provide theoretical foundation for the control of urban environmental pollution.

CHEMICAL BEHAVIOR OF CERIUM ELEMENT IN ROCK WEATHERING SYSTEM

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Typical Geochemical Elements in Loess Deposit in the Northeastern Tibetan Plateau and Its Paleoclimatic Implication

Widespread and thick loess deposit in the northeastern Tibetan Plateau records paleoclimatic changes over the Quaternary period. In this study, we investigate a loess section located in a high terrace of the Huangshui River in the Xining Basin, and collect samples at 20-cm intervals by digging a well of 16-m depth （including paleosol S1 and SO and several loess interlayers over the last glacial-interglacial cycle and the Holocene）. Concentration of some active elements （Sr and Ca） and inert elements （Rb, Zr, Ti） in these loess samples are measured. The results show that ratios of those elements （oxide）, such as Rb/Sr, Ti/Sr, and Zr/CaO ratios, would indicate sensitively paleoclimatic changes, especially the history of precipitation over the last glacial-interglacial and the Holocene. Moreover, the curves of Rb/Sr, Ti/Sr, and Zr/CaO ratios had almost the same variable trends from the bottom to the top and also closely correlated with values of magnetic susceptibility and the global marine δ^18O record. But compared with the curves of magnetic susceptibility, the changes of ratios of these elements （oxide） are clearer and easy to understand. Therefore, the ratios of these typical chemical elements in the loess deposit may be used as an excellent index to investigate the history of paleoclimate, particularly precipitation changes in the northeastern Tibetan Plateau.

ANALYSIS OF BIOLOGICAL GEOCHEMISTRY OFCHEMICAL ELEMENTS IN Betula ermanii FORESTIN CHANGBAI MOUNTAINS,CHINA

ABSTRACT: Based on catalogue of biology and geochemistry of chemical elements, content characteristics and variation law of the large nutrient elements, the needful trace elements, the uncertain needful elements, the non-needful elements and the toxic elements in Betula ermanii trees are analyzed. The result shows that the content of the large nutrient elements in Betula ermanii trees is higher than that of other kinds of element; the contents of all kinds of elements in foliage with vigorous metabolism are higher than those in other parts; the content variations of the large nutrient elements and the needful trace elements with similar chemical property, geochemical property and biological function in different parts of Betula ermanii trees show the similar laws; but the other three kinds of elements variations are without laws. It is indicated that the variation of the needful elements in the plant follows a certain law, they are in relative equilibrium under undisturbed condition.

DISTRIBUTIONS OF CHEMICAL ELEMENTS WITH RELATION TO MAJOR WATER CIRCULATIONS IN THE CENTRAL AND NORTHERN PARTS OF THE TAIWAN STRAIT

Data obtained from a comprehensive multidisciplinary oceanographic survey in the central and northern parts of the Taiwan Strait, 24°20′-26°00′N, 118°45°-121°00′E by the Fujian Institute of Oceanology during the period May, 1983 through May, 1984, showed that the distributions of dissolved oxygen (DO), nitrate, dissolved inorganic phosphate and silicate concentrations here had obvious areal and seasonal characteristics that were mainly influenced by the seasonal circulation ofthree major water systems in the Taiwan Strait-- the Taiwan Strait Warm Water (TSWW), theZhejiang-Fujian Coastal Water (ZFCW), and the Northeastern Strait Warm Water (NESWW).

Chemical characteristics of aerosols at coastal station in Hong Kong.Ⅱ. Environmental behavior of trace elements during the April 1995 to April 1996

An one-year of sampling aerosol program was carried out during the period of April 1995 to April 1996 at coastal region, Cape D′Aguilar, in Hong Kong. The trace element composition of aerosol particles(TSP and PM 10 ) were measured and analyzed by using the Instrumental Neutron Activation Analysis(INAA) and Inductive Couple Plasma-Mass Spectrometry(ICP-MS) techniques. The results showed that the polluted elements such as: V, Zn, As, Pb, Cd, Sb, I, Se, Bi, with high enrichment factor(E.F) values, are derived from anthropogenic sources, while Sc, Al, Fe, Mn, Sm, La, Sr are less than 10 in E.F, these elements are related the crust and soil. The concentration of the trace elements are present seasonal variation i.e. summer low and winter high, whereas the V or noncrustal V(V *) present summer high and winter low, this phenomenon might be explained by local or regional oil combustion sources. Use three type of elemental ratio, e.g. La/Sm, Mn */V * and Bi/Al indicate that both TSP and PM 10 of La/Sm ratios are mainly related to soil and dust, Mn */V * are probably represent fossil combustion and Bi/Al are possibly associated with refuse incineration, ferromanganese alloys and aluminum production. The varimax rotation factor analysis for trace elements was performed. By means of the absolute principal component analysis(APCA) and multiple regression, the contribution of trace elements to possible sources and overall means of trace elements were estimated. The results showed that the present station is impacted by the anthropogenic species, although the quantities are different during the summertime and wintertime.

Elemental geochemical records of seafloor hydrothermal activities in the sediments from the Okinawa Trough

The major and minor element contents in the sediment core H9 from the hydrothermal fields of the Okinawa Trough show a sharp change at the depth of 80 cm. The elements enriched in the upper 80 cm core are those enriched in the hydrothermal deposits and in the surface sediments recovered from the hydrothermal fields in the trough, which indicates the input of hydrothermal materials. Comparing with other hydrothermal sediments from Mid-ocean Ridges or the Lau Basin, the degree of the enrichment of elements iron, copper,cobah, and nickel is relatively low. However, the enrichment of elements manganese, lead, arsenic, antimony and mercury is remarkable. The average contents of these elements in the upper 80 cm core sediments are three to six times those in the lower section, and 3 - 12 times those in the surface sediments which are not influenced by hydrothermal activities. Hydrothermal activities have contributed significant manganese, lead, arsenic, antimony and mercury to the sediments, and these elements are distinct indicators for the hydrothermal activity in the Okinawa Trough. The significant enrichment of these elements in Core H9 upward from the depth 80 cm indicates the start or the significant enhancing of the hydrothermal activity in this area at about 5 740 aB. P. The average accumulation rate of manganese during this period is about 40 461μg/（ cm^2·ka） , which is similar to the hydrothermal sediments in the Lau Basin or the East Pacific Rise.

Abundances of chemical elements in granitoids of different geological ages and their characteristics in China

Actual granitoid analytical data of 767 composited samples are presented here. The data source is 6080 samples collected mainly from 750 large- to middle-sized granitoid bodies across China. Data from the composited samples, which includes that of 70 elements, is analyzed according to geological age - Archeozoic （Ar）, Proterozoic （Pt）, Eopaleozoic （PZl）, Neopaleozoic （Pz2）, Mesozoic （Mz）, and Cenozoic （Cz） - and three major compositional varieties, e.g. alkali-feldspar granite, syenogranite and adamellite. Petrochemical parameters, trace-element content and rare-earth element （REE） distribu- tions of the different rock types and geological ages are characterized, and change tendencies through Archean to Cenozoic time are recorded. The comprehensive analytical data presented here has not been previously published. This significant data set can be used as fundamental information in studies of basic China geology, magma petrogenesis, ore exploration and geochemistry.