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NatureWorks公司吸纳泰国巨头企业PTT Chemical公司1.5亿美元的股本投资
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《化工新型材料》 CAS CSCD 北大核心 2011年第10期151-151,共1页
10月12日,NatureWokrs公司宣布,泰国最大的化工品生产商-PTTChemical公司将投资1.5亿美元于NatureWorks公司。NatureWorks向全球市场提供一系列来自可再生植物资源的Ingeo生物聚合物给塑料及纤维产品市场。
关键词 chemical公司 泰国 投资 PTT 企业 生物聚合物 产品市场 植物资源
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JFE Chemical公司扩大蓄电材料用石墨粉生产
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作者 陶道敏(摘译) 《无机盐工业》 CAS 北大核心 2007年第4期60-60,共1页
日本JFE Chemical公司扩大了其石墨粉生产与销售,该石墨粉可用于锂离子可充电电池的负极材料及电子双层电容器的蓄电材料。该公司生产的石墨粉是中度微球,采用自主知识产权技术由炼焦油沥青制得。
关键词 chemical公司 负极材料 石墨粉 JFE 生产 自主知识产权 双层电容器 可充电电池
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NatureWorks公司吸纳泰国PTT Chemical公司1.5亿美元的股本投资
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《纺织导报》 CAS 北大核心 2011年第11期10-10,共1页
NatureWorks公司近日宣布,泰国最大的化工品生产商PTT Chemical公司将投资1.5亿美元于NatureWorks公司,目前该投资项目仍有待法律审批。
关键词 chemical公司 投资项目 PTT 泰国 生产商 化工品
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BrüggemannChemical公司开发出聚酰胺铜基稳定剂和液态活化剂
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作者 董超群 严谨译 《塑料助剂》 2014年第2期58-58,共1页
这家德国公司为聚酰胺开发出了BruggolenH3376和BmggolenH3386两种铜基稳定剂。良好的抗短路、漏电和热力学稳定性使它们在电子电气领域应用前景广阔。同时,该公司也为注塑聚酰胺引入一种液态活化剂以及为硫化橡胶引入一种锌基活性剂。
关键词 chemical公司 聚酰胺 活化剂 稳定剂 液态 铜基 开发 BR
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Elastogran公司收购Polymer Chemical公司
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作者 辛梅(译) 《现代橡胶技术》 2007年第3期45-45,共1页
巴斯夫集团下属的Elastogran公司计划收购Polymer Chemical公司以加强其在欧洲聚氨酯系列产品的市场领导者地位,但收购的价格双方均未对外界透露。
关键词 chemical公司 收购 巴斯夫 领导者 聚氨酯 价格
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Kumiai Chemical公司2009年出口减少
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作者 严智燕 《农药研究与应用》 2010年第3期49-50,共2页
在海外市场特别是美洲市场销售额的下降使组合化学(KumiaiChemical)公司在截止到2009年10月31日的一年里的综合农药销售额下降2%,为3922.7千万日元(43.7千万美元,在当前汇率下)。海外销售额下降4.1%,为980.5千万日元。普... 在海外市场特别是美洲市场销售额的下降使组合化学(KumiaiChemical)公司在截止到2009年10月31日的一年里的综合农药销售额下降2%,为3922.7千万日元(43.7千万美元,在当前汇率下)。海外销售额下降4.1%,为980.5千万日元。普通利润下降14%,为66.7千万日元。 展开更多
关键词 chemical公司 市场销售额 出口 海外市场 组合化学
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Polychemical公司推出零VOC可生物降解的绿色全效除油剂
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《中国洗涤用品工业》 2014年第9期78-78,共1页
美国Polychemical公司日前推出了PolychemZilch可生物降解浓缩清洁剂。PolychemZilch不易燃,不含挥发性有机化合物或HAPS,可以取代Simple Green这样的含VOC的产品在工作场所中的使用。 该产品与专门的表面活性剂混用,能够去除油脂... 美国Polychemical公司日前推出了PolychemZilch可生物降解浓缩清洁剂。PolychemZilch不易燃,不含挥发性有机化合物或HAPS,可以取代Simple Green这样的含VOC的产品在工作场所中的使用。 该产品与专门的表面活性剂混用,能够去除油脂、颜料和金属加工液,不会产生任何恶劣的烟雾、气味,不会对环境产生影响。PolychemZilch可通过人工的方式加入高压清洗机、超声波槽或喷淋式清洗机,用于清洗任何储罐、码头、地板或墙壁。可以用来清洗任何储罐、码头、地板或墙壁。现提供1加仑、5加仑和55加仑装。 展开更多
关键词 chemical公司 可生物降解 零VOC POLY 除油剂 高压清洗机 挥发性有机化合物 SIMPLE
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2003225 Enstman Chemical公司的几种附着力促进剂新品
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《上海涂料》 CAS 2003年第2期41-41,共1页
关键词 Enstmanchemical公司 附着力 促进剂 氧化型 涂料助剂
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Valorization of Camellia oleifera oil processing byproducts to value-added chemicals and biobased materials: A critical review 被引量:1
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作者 Xudong Liu Yiying Wu +11 位作者 Yang Gao Zhicheng Jiang Zicheng Zhao Wenquan Zeng Mingyu Xie Sisi Liu Rukuan Liu Yan Chao Suli Nie Aihua Zhang Changzhu Li Zhihong Xiao 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第1期28-53,共26页
The C.oleifera oil processing industry generates large amounts of solid wastes,including C.oleifera shell(COS)and C.oleifera cake(COC).Distinct from generally acknowledged lignocellulosic biomass(corn stover,bamboo,bi... The C.oleifera oil processing industry generates large amounts of solid wastes,including C.oleifera shell(COS)and C.oleifera cake(COC).Distinct from generally acknowledged lignocellulosic biomass(corn stover,bamboo,birch,etc.),Camellia wastes contain diverse bioactive substances in addition to the abundant lignocellulosic components,and thus,the biorefinery utilization of C.oleifera processing byproducts involves complicated processing technologies.This reviewfirst summarizes various technologies for extracting and converting the main components in C.oleifera oil processing byproducts into value-added chemicals and biobased materials,as well as their potential applications.Microwave,ultrasound,and Soxhlet extractions are compared for the extraction of functional bioactive components(tannin,flavonoid,saponin,etc.),while solvothermal conversion and pyrolysis are discussed for the conversion of lignocellulosic components into value-added chemicals.The application areas of these chemicals according to their properties are introduced in detail,including utilizing antioxidant and anti-in-flammatory properties of the bioactive substances for the specific application,as well as drop-in chemicals for the substitution of unrenewable fossil fuel-derived products.In addition to chemical production,biochar fabricated from COS and its applications in thefields of adsorption,supercapacitor,soil remediation and wood composites are comprehensively reviewed and discussed.Finally,based on the compositions and structural characteristics of C.oleifera byproducts,the development of full-component valorization strategies and the expansion of the appli-cationfields are proposed. 展开更多
关键词 Camellia oleifera shell Camellia oleifera cake Value-added chemicals Bioactive components Biobased materials
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Experimental investigation into effects of the natural polymer and nanoclay particles on the EOR performance of chemical flooding in carbonate reservoirs
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作者 Amir Mohammad Zamani Ashkan Moslemi Kamran Hassani 《Petroleum Science》 SCIE EI CAS CSCD 2024年第2期951-961,共11页
This paper aims to investigate the tragacanth gum potential as a natural polymer combined with natural clay mineral(montmorillonite,kaolinite,and illite)nanoparticles(NPs)to form NP-polymer suspension for enhanced oil... This paper aims to investigate the tragacanth gum potential as a natural polymer combined with natural clay mineral(montmorillonite,kaolinite,and illite)nanoparticles(NPs)to form NP-polymer suspension for enhanced oil recovery(EOR)in carbonate reservoirs.Thermal gravimetric analysis(TGA)tests were conducted initially in order to evaluate the properties of tragacanth gum.Subsequently,scanning electron microscopy(SEM)and energy-dispersive X-ray(EDX)tests were used to detect the structure of clay particles.In various scenarios,the effects of natural NPs and polymer on the wettability alteration,interfacial tension(IFT)reduction,viscosity improvement,and oil recovery were investigated through contact angle system,ring method,Anton Paar viscometer,and core flooding tests,respectively.The entire experiment was conducted at 25,50,and 75℃,respectively.According to the experimental results,the clay minerals alone did not have a significant effect on viscosity,but the addition of minerals to the polymer solution leads to the viscosity enhancement remarkably,resulting mobility ratio improvement.Among clay NPs,the combination of natural polymer and kaolinite results in increased viscosity at all temperatures.Considerable wettability alteration was also observed in the case of natural polymer and illite NPs.Illite in combination with natural polymer showed an ability in reducing IFT.Finally,the results of displacement experiments revealed that the combination of natural polymer and kaolinite could be the best option for EOR due to its substantial ability to improve the recovery factor. 展开更多
关键词 chemical flooding Tragacanth gum Clay nanoparticle WETTABILITY IFT
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Rational design of F,N-rich artificial interphase via chemical prelithiation initiation strategy enabling high coulombic efficiency and stable micro-sized SiO anodes
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作者 Quanyan Man Hengtao Shen +3 位作者 Chuanliang Wei Baojuan Xi Shenglin Xiong Jinkui Feng 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第5期224-232,共9页
Silicon monoxide(SiO)is regarded as a potential candidate for anode materials of lithium-ion batteries(LIBs).Unfortunately,the application of SiO is limited by poor initial Coulombic efficiency(ICE)and unsteady solid ... Silicon monoxide(SiO)is regarded as a potential candidate for anode materials of lithium-ion batteries(LIBs).Unfortunately,the application of SiO is limited by poor initial Coulombic efficiency(ICE)and unsteady solid electrolyte interface(SEI),which induce low energy,short cycling life,and poor rate properties.To address these drawbacks of SiO,we achieve in-situ construction of robust and fast-ion conducting F,N-rich SEI layer on prelithiated micro-sized SiO(P-μSiO)via the simple and continuous treatment ofμSiO in mild lithium 4,4′-dimethylbiphenyl solution and nonflammable hexafluorocyclotriphosphazene solution.Chemical prelithiation eliminates irreversible capacity through pre-forming inactive lithium silicates.Meanwhile,the symbiotic F,N-rich SEI with good mechanical stability and fast Li^(+)permeability is conductive to relieve volume expansion ofμSiO and boost the Li+diffusion kinetics.Consequently,the P-μSiO realizes an impressive electrochemical performance with an elevated ICE of 99.57%and a capacity retention of 90.67%after 350 cycles.Additionally,the full cell with P-μSiO anode and commercial LiFePO_(4) cathode displays an ICE of 92.03%and a high reversible capacity of 144.97 mA h g^(-1).This work offers a general construction strategy of robust and ionically conductive SEI for advanced LIBs. 展开更多
关键词 chemical prelithiation Silicon monoxide SEI Lithium-ion batteries INTERPHASE engineering
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Extraction,chemical components,bioactive functions and adulteration identification of walnut oils:A review
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作者 Yuan Gao Jia Hu +6 位作者 Xia Su Qi Li Caihong Su Yongling Li Gaiqin Ma Siyu Zhang Xiuzhu Yu 《Grain & Oil Science and Technology》 CAS 2024年第1期30-41,共12页
Walnut oil is a functional wood oil known to researchers that may potentially be a large source of Chinese edible oils.There are various extraction methods for walnut oil,including traditional(pressing,solvent-and enz... Walnut oil is a functional wood oil known to researchers that may potentially be a large source of Chinese edible oils.There are various extraction methods for walnut oil,including traditional(pressing,solvent-and enzymeassisted extraction)and novel methods(microwave,ultrasound,supercritical CO_(2),subcritical and other extraction technologies).Walnut oil is rich in nutrients,including phytosterols,tocopherols,polyphenols,squalene and minerals.It provides many health benefits,such as antioxidant,antitumor,anti-inflammatory,antidiabetic and lipid metabolism-related functions.In addition,the authentication of walnut oil has received much research attention.The present review provides detailed research on walnut oil extraction,composition,health benefits and adulteration identification methods.The path toward further walnut oil improvement in the context of the market value of walnut oil is also discussed. 展开更多
关键词 Extraction technology chemical composition Bioactive AUTHENTICATION
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The chemical environment and structural ordering in liquid Mg-Y-Zn system:An ab-initio molecular dynamics investigation of melt for the formation mechanism of LPSO structure
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作者 Tangpeng Ma Jin Wang +5 位作者 Kaiming Cheng Chengwei Zhan Jixue Zhou Jingyu Qin Guochen Zhao Xinfang Zhang 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第2期815-824,共10页
In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular... In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics simulation.In liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local structure.For Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid structure.Due to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from Zn.What is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn alloys.These results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level. 展开更多
关键词 Mg-Y-Zn chemical environment Structural ordering ab-initio molecular dynamics
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Plant Chemical Defenses against Insect Herbivores—Using theWild Tobacco as a Model
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作者 Guangwei Sun Xuanhao Zhang +4 位作者 Yi Liu Liguang Chai Daisong Liu Zhenguo Chen Shiyou Lü 《Phyton-International Journal of Experimental Botany》 SCIE 2024年第4期641-659,共19页
The Nicotiana genus, commonly known as tobacco, holds significant importance as a crucial economic crop. Confrontedwith an abundance of herbivorous insects that pose a substantial threat to yield, tobacco has develope... The Nicotiana genus, commonly known as tobacco, holds significant importance as a crucial economic crop. Confrontedwith an abundance of herbivorous insects that pose a substantial threat to yield, tobacco has developed adiverse and sophisticated array of mechanisms, establishing itself as a model of plant ecological defense. Thisreview provides a concise overview of the current understanding of tobacco’s defense strategies against herbivores.Direct defenses, exemplified by its well-known tactic of secreting the alkaloid nicotine, serve as a potent toxinagainst a broad spectrum of herbivorous pests. Moreover, in response to herbivore attacks, tobacco enhancesthe discharge of volatile compounds, harnessing an indirect strategy that attracts the predators of the herbivores.The delicate balance between defense and growth leads to the initiation of most defense strategies only after aherbivore attack. Among plant hormones, notably jasmonic acid (JA), play central roles in coordinating thesedefense processes. JA signaling interacts with other plant hormone signaling pathways to facilitate the extensivetranscriptional and metabolic adjustments in plants following herbivore assault. By shedding light on these ecologicaldefense strategies, this review emphasizes not only tobacco’s remarkable adaptability in its natural habitatbut also offers insights beneficial for enhancing the resilience of current crops. 展开更多
关键词 TOBACCO HERBIVORE chemical defense jasmonic acid REGULATION
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Expanding the Boundaries of the Chemical Space of DNA Methyltransferase 1 Modulators
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作者 Massyel S. Martínez-Cortés Diana L. Prado-Romero José L. Medina-Franco 《Computational Molecular Bioscience》 2024年第1期1-16,共16页
DNA methyltransferase 1 (DNMT1), one of the main epigenetic targets, is involved in the duplication of the DNA methylation pattern during replication, and it is essential for proper mammalian development. Small molecu... DNA methyltransferase 1 (DNMT1), one of the main epigenetic targets, is involved in the duplication of the DNA methylation pattern during replication, and it is essential for proper mammalian development. Small molecule DNMT1 modulators are attractive for biochemical epigenetic studies and have the potential to become drugs. So far, more than five hundred small molecules have been reported as DNMT1 inhibitors. However, only a limited number of DNMT1 activators have been disclosed because, at least in part, DNMT1 activators are typically regarded as negative data in virtual screening campaigns or optimization projects. This manuscript aims to report the chemical structures and biological activity of small molecules that increase the enzymatic activity of DNMT1. Results of the biochemical experimental assays are discussed. It was found that small molecule activators have a large variety of chemical scaffolds but share pharmacophore features. Visual analysis of the chemical space and multiverse based on molecular fingertips supported that activators are structurally diverse. This is the first report of eight small molecules that increase the enzymatic activity of DNMT1 by more than 400% in an enzymatic-based assay. The outcome warrants further investigation of the epigenetic activity of the compounds in a counter-screen assay, e.g., cell-based and in vivo context. 展开更多
关键词 chemical Multiverse CHEMOINFORMATICS EPIGENETICS Pharmacophore Hypothesis Small Molecules
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Some of the Chemical and Physical Characteristics of the Graff River in Kut City, Iraq
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作者 Salih Mahdi Ali Imad Kazem Ali 《Open Journal of Modern Hydrology》 CAS 2024年第1期56-67,共12页
Some of the chemical and physical water qualities of the Graff River in the city of Kut were studied, and for two sites of the river, One was at the Crimea site, the other in the Jihad district, and for the period fro... Some of the chemical and physical water qualities of the Graff River in the city of Kut were studied, and for two sites of the river, One was at the Crimea site, the other in the Jihad district, and for the period from October/2018 to March/2019, Seven variables of river water have been analyzed: temperature PH, electrical conductivity, TDS, turbidity, alkaline, and chloride. The results showed that most of the chemical and physical water properties of the river were in normal proportions and did not rise, except for the turbidity, which was at a very high level, and that the pH values were close to the basal side. The results of the statistical analysis revealed positive significant relationships between the pH and (chloride and TDS). On the other hand, between electrical conductivity and both previous variables as well. And a negative significant connection between temperature and alkaline. 展开更多
关键词 Graff River Kut City Iraq chemical Characteristics Physical Characteristics
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Jet formation and penetration performance of a double-layer charge liner with chemically-deposited tungsten as the inner liner
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作者 Bihui Hong Wenbin Li +2 位作者 Yiming Li Zhiwei Guo Binyou Yan 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第3期374-385,共12页
This paper proposes a type of double-layer charge liner fabricated using chemical vapor deposition(CVD)that has tungsten as its inner liner.The feasibility of this design was evaluated through penetration tests.Double... This paper proposes a type of double-layer charge liner fabricated using chemical vapor deposition(CVD)that has tungsten as its inner liner.The feasibility of this design was evaluated through penetration tests.Double-layer charge liners were fabricated by using CVD to deposit tungsten layers on the inner surfaces of pure T2 copper liners.The microstructures of the tungsten layers were analyzed using a scanning electron microscope(SEM).The feasibility analysis was carried out by pulsed X-rays,slug-retrieval test and static penetration tests.The shaped charge jet forming and penetration law of inner tungsten-coated double-layer liner were studied by numerical simulation method.The results showed that the double-layer liners could form well-shaped jets.The errors between the X-ray test results and the numerical results were within 11.07%.A slug-retrieval test was found that the retrieved slug was similar to a numerically simulated slug.Compared with the traditional pure copper shaped charge jet,the penetration depth of the double-layer shaped charge liner increased by 11.4% and>10.8% respectively.In summary,the test results are good,and the numerical simulation is in good agreement with the test,which verified the feasibility of using the CVD method to fabricate double-layer charge liners with a high-density and high-strength refractory metal as the inner liner. 展开更多
关键词 Shaped charge chemical vapor deposition TUNGSTEN Double-layer charge liner X-ray PENETRATION
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Effects of dietary Clostridium butyricum and rumen protected fat on meat quality,oxidative stability,and chemical composition of finishing goats
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作者 Meimei Zhang Zhiyue Zhang +9 位作者 Xinlong Zhang Changming Lu Wenzhu Yang Xiaolai Xie Hangshu Xin Xiaotan Lu Mingbo Ni Xinyue Yang Xiaoyang Lv Peixin Jiao 《Journal of Animal Science and Biotechnology》 SCIE CAS CSCD 2024年第2期911-924,共14页
Background Clostridium butyricum(CB)is a probiotic that can regulate intestinal microbial composition and improve meat quality.Rumen protected fat(RPF)has been shown to increase the dietary energy density and provide ... Background Clostridium butyricum(CB)is a probiotic that can regulate intestinal microbial composition and improve meat quality.Rumen protected fat(RPF)has been shown to increase the dietary energy density and provide essential fatty acids.However,it is still unknown whether dietary supplementation with CB and RPF exerts beneficial effects on growth performance and nutritional value of goat meat.This study aimed to investigate the effects of dietary CB and RPF supplementation on growth performance,meat quality,oxidative stability,and meat nutritional value of finishing goats.Thirty-two goats(initial body weight,20.5±0.82 kg)were used in a completely randomized block design with a 2 RPF supplementation(0 vs.30 g/d)×2 CB supplementation(0 vs.1.0 g/d)factorial treatment arrangement.The experiment included a 14-d adaptation and 70-d data and sample collection period.The goats were fed a diet consisted of 400 g/kg peanut seedling and 600 g/kg corn-based concentrate(dry matter basis).Result Interaction between CB and RPF was rarely observed on the variables measured,except that shear force was reduced(P<0.05)by adding CB or RPF alone or their combination;the increased intramuscular fat(IMF)content with adding RPF was more pronounced(P<0.05)with CB than without CB addition.The pH24h(P=0.009),a*values(P=0.007),total antioxidant capacity(P=0.050),glutathione peroxidase activities(P=0.006),concentrations of 18:3(P<0.001),20:5(P=0.003)and total polyunsaturated fatty acids(P=0.048)were increased,whereas the L*values(P<0.001),shear force(P=0.050)and malondialdehyde content(P=0.044)were decreased by adding CB.Furthermore,CB supplementation increased essential amino acid(P=0.027),flavor amino acid(P=0.010)and total amino acid contents(P=0.024)as well as upregulated the expression of lipoprotein lipase(P=0.034)and peroxisome proliferator-activated receptorγ(PPARγ)(P=0.012),and downregulated the expression of stearoyl-CoA desaturase(SCD)(P=0.034).The RPF supplementation increased dry matter intake(P=0.005),averaged daily gain(trend,P=0.058),hot carcass weight(P=0.046),backfat thickness(P=0.006),concentrations of 16:0(P<0.001)and c9-18:1(P=0.002),and decreased the shear force(P<0.001),isoleucine(P=0.049)and lysine content(P=0.003)of meat.In addition,the expressions of acetyl-CoA carboxylase(P=0.003),fatty acid synthase(P=0.038),SCD(P<0.001)and PPARγ(P=0.022)were upregulated due to RPF supplementation,resulting in higher(P<0.001)content of IMF.Conclusions CB and RPF could be fed to goats for improving the growth performance,carcass traits and meat quality,and promote fat deposition by upregulating the expression of lipogenic genes of Longissimus thoracis muscle. 展开更多
关键词 chemical composition Clostridium butyricum Goats Meat quality Oxidative stability Rumen protected fat
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Design method of extractant for liquideliquid extraction based on elements and chemical bonds
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作者 Yuwen Wei Chunling Zhang +4 位作者 Yue Zhang Lili Wang Li Xia Xiaoyan Sun Shuguang Xiang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第4期193-202,共10页
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.Liquideliquid extraction is a common and eff... 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.Liquideliquid 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 liquideliquid 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 benzeneecyclohexane systems.The results unanimously prove that the method has important theoretical significance and application value. 展开更多
关键词 Molecular design Element and chemical bonds Molecular simulation THERMODYNAMICS Solvent extraction
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Shock-induced energy localization and reaction growth considering chemical-inclusions effects for crystalline explosives
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作者 Ruqin Liu Yanqing Wu +3 位作者 Xinjie Wang Fenglei Huang Xiaona Huang Yushi Wen 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第3期278-294,共17页
Chemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear.Herein shock-induced energy localization,overall phy... Chemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear.Herein shock-induced energy localization,overall physical responses,and reactions in a-1,3,5-trinitro-1,3,5-triazinane(a-RDX)crystal entrained various chemical inclusions were investigated by the multi-scale shock technique implemented in the reactive molecular dynamics method.Results indicated that energy localization and shock reaction were affected by the intrinsic factors within chemical inclusions,i.e.,phase states,chemical compositions,and concentrations.The atomic origin of chemical-inclusions effects on energy localization is dependent on the dynamics mechanism of interfacial molecules with free space volume,which includes homogeneous intermolecular compression,interfacial impact and shear,and void collapse and jet.As introducing various chemical inclusions,the initiation of those dynamics mechanisms triggers diverse decay rates of bulk RDX molecules and hereby impacts on growth speeds of final reactions.Adding chemical inclusions can reduce the effectiveness of the void during the shock impacting.Under the shockwave velocity of 9 km/s,the parent RDX decay rate in RDX entrained amorphous carbon decreases the most and is about one fourth of that in RDX with a vacuum void,and solid HMX and TATB inclusions are more reactive than amorphous carbon but less reactive than dry air or acetone inclusions.The lessdense shocking system denotes the greater increases in local temperature and stress,the faster energy liberation,and the earlier final reaction into equilibrium,revealing more pronounced responses to the present intense shockwave.The quantitative models associated with the relative system density(RD_(sys))were proposed for indicating energy-localization mechanisms and evaluating initiation safety in the shocked crystalline explosive.RD_(sys)is defined by the density ratio of defective RDX to perfect crystal after dynamics relaxation and reveals the global density characteristic in shocked systems filled with chemical inclusions.When RD_(sys)is below 0.9,local hydrodynamic jet initiated by void collapse dominates upon energy localization instead of interfacial impact.This study sheds light on novel insights for understanding the shock chemistry and physical-based atomic origin in crystalline explosives considering chemical-inclusions effects. 展开更多
关键词 Shock responses Energy localization Crystalline explosives chemical inclusions Reactive molecular dynamics
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