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被修饰环糊精模版控制的trans-2-苯乙烯吡啶的分子内环化
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作者 马丽雅 张喜子 《煤炭与化工》 CAS 2014年第11期8-10,共3页
环糊精(CDs)是由6,7或8吡喃葡萄糖与上下环绕的羟基组成的环状低聚糖,具有内疏水外亲水的结构特征。合成了一种酰化的γ-环糊精(CDs),并将酰化的环糊精衍生物与trans-2-苯乙烯吡啶分子包合,比较了固态、液态及凝胶态中包合物的光反应结... 环糊精(CDs)是由6,7或8吡喃葡萄糖与上下环绕的羟基组成的环状低聚糖,具有内疏水外亲水的结构特征。合成了一种酰化的γ-环糊精(CDs),并将酰化的环糊精衍生物与trans-2-苯乙烯吡啶分子包合,比较了固态、液态及凝胶态中包合物的光反应结果,发现修饰的环糊精对其分子内光环化产物的生成具有选择性,其中固态产物的选择性最好,可以得到产率较高的苯并[f]喹啉。 展开更多
关键词 修饰环糊精 trans-2-苯乙烯吡啶 分子内环化
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Powdered activated carbon adsorption of two fishy odorants in water: Trans,trans-2,4-heptadienal and trans,trans-2,4-decadienal 被引量:10
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作者 Xin Li Jun Wang +1 位作者 Xiaojian Zhang Chao Chen 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2015年第6期15-25,共11页
Powdered activated carbon(PAC) adsorption of two fishy odorants, trans,trans-2,4-heptadienal(HDE) and trans,trans-2,4-decadienal(DDE), was investigated. Both the pseudo first-order and the pseudo second-order ki... Powdered activated carbon(PAC) adsorption of two fishy odorants, trans,trans-2,4-heptadienal(HDE) and trans,trans-2,4-decadienal(DDE), was investigated. Both the pseudo first-order and the pseudo second-order kinetic models well described the kinetics curves, and DDE was more readily removed by PAC. In isotherm tests, both Freundlich and Modified Freundlich isotherms fitted the experimental data well. PAC exhibited a higher adsorption capacity for DDE than for HDE, which could be ascribed to the difference in their hydrophobicity. The calculated thermodynamic parameters(ΔG^0, ΔH^0, and ΔS^0) indicated an exothermic and spontaneous adsorption process. PAC dosage, p H, and natural organic matter(NOM) presence were found to influence the adsorption process. With increasing PAC dosage, the pseudo first-order and pseudo second-order rate constants both increased. The value of p H had little influence on HDE or DDE molecules but altered the surface charge of PAC, and the maximum adsorption capacity occurred at p H 9. The presence of NOM, especially the fraction with molecular weight less than1 k Dalton, hindered the adsorption. The study showed that preloaded NOM impaired the adsorption capacity of HDE or DDE more severely than simultaneously fed NOM did. 展开更多
关键词 Adsorption mechanism Drinking water Trans trans-2 4-decadienal Trans trans-2 4-heptadienal
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Efficient Asymmetric Hydration of trans-2-Butenoic Acid Catalyzed by Wool-Palladium Complex 被引量:3
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作者 WANG Siqian WANG Ziwei +3 位作者 DONG Jinlong REN Jianguo HUANG Meiyu JIANG Yingyan 《催化学报》 SCIE CAS CSCD 北大核心 2004年第5期339-340,共2页
The hydration of olefins is one of the most im-portant processes for the production of alcohols[1].Ingeneral,the preparation methods using chiral organo-metallic complexes[2],microorganism[3]or cation-ex-changed montm... The hydration of olefins is one of the most im-portant processes for the production of alcohols[1].Ingeneral,the preparation methods using chiral organo-metallic complexes[2],microorganism[3]or cation-ex-changed montmorillonite[4]suffer from the drawbacks such as poor selectivity,separation difficulty or insta-bility.Enzymes as natural polymeric catalysts have attracted much attention in recent years due to their high activity and selectivity under mild condi-tions[5.6].In imitating the function of an enzyme,the use of natural biopolymers may be one of the ef-fective methods[7].Some natural biopolymer-metal complexes have been prepared and used as the catalyst for hydration to overcome the above disadvan-tages[8,9].Here we report the first results on the use of a wool-Pd complex for the asymmetric hydration of trans-2-butenoic acid. 展开更多
关键词 trans-2-butenoic acid asymmetric hydration hydroxybutyric acid WOOL palladium complex
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Trans-10-hydroxy-2-decenoic acid improves polycystic ovarian syndrome through autophagy-mediated mitochondrial fission dependent on the maintenance of calcium homeostasis between endoplasmic reticulum and mitochondria
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作者 Jicheng Huang Liang Yue +4 位作者 Baiyu Li Zhisong Chen Yusi Wang Zhanpeng Yue Bin Guo 《Food Science and Human Wellness》 2025年第12期4965-4983,共19页
Polycystic ovarian syndrome(PCOS)is the most principal reason for infertility in reproductive women,but no versatile treatment is feasible.Although trans-10-hydroxy-2-decenoic acid(10H2DA)exhibits the anti-inflammator... Polycystic ovarian syndrome(PCOS)is the most principal reason for infertility in reproductive women,but no versatile treatment is feasible.Although trans-10-hydroxy-2-decenoic acid(10H2DA)exhibits the anti-inflammatory,anti-cancerous and immunomodulatory properties,its role in improving PCOS remains elusive.This present study examined the effects of 10H2DA on the estrous cycle,ovarian morphology,reproductive hormone,glucose and insulin tolerances of PCOS mice,analyzed the binding between 10H2DA and free fatty acid receptor 4(FFAR4),and explored the regulation of 10H2DA on the c-Jun N-terminal kinase(JNK)/JUN(Jun proto-oncogene)signaling,cytosolic calcium ion(Ca^(2+)),endoplasmic reticulum(ER)Ca^(2+) release,mitochondrial Ca^(2+),mitochondrial function,autophagy,lysosomal acidification,mitochondrial fission,secretion function and apoptosis of ovarian granulosa cells(GCs)using enzyme-linked immunosorbent assay,flow cytometry,Western blotting,molecular docking,various fluorescent probes or plasmid,etc.The results showed that 10H2DA alleviated the symptom of PCOS mice through improving the secretion dysfunction of GCs and protecting GCs against apoptosis.After binding to FFAR4 and inactivation of JNK/JUN signaling,10H2DA restricted the release of ER Ca^(2+)through targeting ryanodine receptors(RYRs)which had been identified as the downstream targets of JUN,diminished cytosolic Ca^(2+) accumulation and prevented Ca^(2+) influx into mitochondria via adjusting the mitochondrial calcium uptake 1 and mitochondrial calcium uniporter.Concurrently,10H2DA kept the integrity of mitochondrial function through maintaining mitochondrial Ca2 homeostasis and suppressed the discharge of mitochondrial reactive oxygen species into the cytosol through blocking the mitochondrial permeability transition pore opening to avoid the lipid peroxidation and ameliorate the secretory function and apoptosis of GCs.Furthermore,1OH2DA rescued the defective autophagic flux along with the decline of autophagosomes and sequestosome 1 aggregation,restored the mitophagy flux with the abatement of mitophagosomes and Parkin recruitment to mitochondria,and accelerated the lysosomal degradation for depolarized mitochondria with the recovery of lysosomal acidification,whereas activation of JNK antagonized the amelioration of 10H2DA on above effectiveness,but this antagonism was counteracted by the attenuation of intracellular Ca^(2+).After application of 10H2DA,dynamin-related protein 1 phosphorylation was diminished and its recruitment to mitochondrial surface was impeded concomitant with the improvement of mitochondrial fragmentation,whereas inhibition of late-stage autophagy caused the failure of 10H2DA in improving mitochondrial fission.Collectively,10H2DA might ameliorate PCOS mice through modulating autophagy-mediated mitochondrial fission dependent on the maintenance of Ca^(2+) homeostasis between ER and mitochondria. 展开更多
关键词 trans-10-hydroxy-2-decenoic acid Polycystic ovarian syndrome Endoplasmic reticulum Calcium ion Mitochondrial fission AUTOPHAGY
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Dimer of Bis[trans-5-methyl-2-[2-(4-methoxylphenyl)ethenyl]-benzoxazole]di-μ-nitratosilver(I)
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作者 LIUHui-Min ZHANGWei XINYing ZHANGWen-Qin 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2004年第5期532-536,共5页
The title complex [AgNO3(C17H15NO2)2]2 was synthesized and characterized by X-ray diffraction analysis. The compound crystallizes in triclinic, space group P with a = 11.226(7), b = 11.906(7), c = 12.144(7) , = 99.79... The title complex [AgNO3(C17H15NO2)2]2 was synthesized and characterized by X-ray diffraction analysis. The compound crystallizes in triclinic, space group P with a = 11.226(7), b = 11.906(7), c = 12.144(7) , = 99.796(10), = 91.631(10), = 101.225(10), V = 1565.6(16) 3, Z = 1, Mr = 1400.96, Dc = 1.486 g/cm3, F(000) = 716 and (Mo-K? = 0.697 mm-1. The final R and wR are 0.0401 and 0.0995, respectively for 5492 independent observable reflections with I > 2(I). The results show that the central Ag atom is four-coordinated with two O atoms from two distinct NO3- anions and two N atoms from two trans-5-methyl-2-[2-(4-methoxylphenyl)ethenyl]- benzoxazole ligands, and the two Ag atoms bridged with two O atoms give an interesting Ag-O-Ag-O parallelogram structure. The coordination sphere of Ag atom exhibits a heavily distorted tetrahedral geometry and the coordination angles lie in the range of 66.73(12)~129.59(10). The intra- molecular dihedral angles between the benzoxazolyl and phenyl planes are 4.1(3) and 2.9(3), respectively. 展开更多
关键词 synthesis crystal structure trans-2-styrylbenzoxazole silver complex
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Determination of trans-4-hydroxy-2-alkenals in thermally treated soybean oil by SPE-HPLC 被引量:1
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作者 Hongying Hua Shimin Wu Xin Ma 《Grain & Oil Science and Technology》 2022年第3期107-113,共7页
Trans-4-hydroxy-2-hexenal(4-HHE) and trans-4-hydroxy-2-nonenal(4-HNE) are secondary lipid peroxidation products in edible oils, which are cytotoxic and genotoxic. They could covalently bind with protein, phospholipids... Trans-4-hydroxy-2-hexenal(4-HHE) and trans-4-hydroxy-2-nonenal(4-HNE) are secondary lipid peroxidation products in edible oils, which are cytotoxic and genotoxic. They could covalently bind with protein, phospholipids and DNA, further disrupting the normal function of liver, lung and brain.Derivation process was generally conducted during pretreatment before detection and quantification of 4-HHE and 4-HNE. However, the derivation procedures were time consuming and chemical degradation may occur during the process. Hence, this paper aims to establish a simple solid phase extractionhigh performance liquid chromatography(SPE-HPLC) method to determine the 4-HHE and 4-HNE contents in thermally treated soybean oil. C18 solid phase extraction was applied in the pretreatment process. Firstly, the reliability of the method was evaluated. Good linearity was observed in the range of 0.1–0.5 μg/m L and 0.5–10 μg/m L for 4-HHE and 4-HNE. The limit of detection(LOD) of 4-HHE and 4-HNE were 0.0486 and 0.0129 μg/m L, respectively. And the limit of quantitation(LOQ) of4-HHE and 4-HNE were 0.1458 and 0.0431 μg/m L, respectively. Recovery rate were in the range of89.11%–91.58% and 71.83%–79.40% for 4-HHE and 4-HNE, respectively. The method achieved the extraction, purification and detection of 4-HHE and 4-HNE simultaneously and had the advantages of simple operation, effectiveness, high precision, good repeatability. Then, the method was applied to monitor the concentrations of 4-HHE and 4-HNE in soybean oil heated at 180 °C for 40 h. The contents of 4-HHE and 4-HNE were 0–0.32 μg/g and 0–6.97 μg/g, respectively, which provided guidance for evaluating health risks of thermally treated soybean oil during heating. 展开更多
关键词 trans-4-hydroxy-2-hexenal trans-4-hydroxy-2-nonenal Soybean oil
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Mechanistic Study on the Monofunctional Binding of Hydrolysis Products of Non-planar Heterocyclic Complexes Trans-[PtCl_2NH_3(piperidine)] and Trans-[PtCl_2(piperidine)_2] to DNA Purine Bases
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作者 陈鋆晖 周立新 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第10期1536-1546,共11页
The monofunctional substitution reactions between trans-[PtCl(H2O)(NH3)(pip)]+,trans-[Pt(H2O)2(NH3)(pip)]2+,trans-[PtCl(H2O)(pip)2]+,trans-[Pt(H2O)2(pip)2]2+ (pip = piperidine) and adenine/gu... The monofunctional substitution reactions between trans-[PtCl(H2O)(NH3)(pip)]+,trans-[Pt(H2O)2(NH3)(pip)]2+,trans-[PtCl(H2O)(pip)2]+,trans-[Pt(H2O)2(pip)2]2+ (pip = piperidine) and adenine/guanine nucleotides are explored by using B3LYP hybrid functional and IEF-PCM salvation models. For the trans-[Pt(H2O)2(NH3)(pip)]2+ and trans-[PtCl(H2O)(NH3)(pip)]+ complexes,the computed barrier heights in aqueous solution are 13.5/13.5 and 11.6/11.6 kcal/mol from trans-Pt-chloroaqua complex to trans/cis-monoadduct for adenine and guanine,and the corresponding values are 20.7/20.7 and 18.8/18.8 kcal/mol from trans-Pt-diaqua complex to trans/cis-monoadduct for adenine and guanine,respectively. For trans-[PtCl(H2O)(pip)2]+ and trans-[Pt(H2O)2(pip)2]2+,the corresponding values are 21.5/21.3 and 19.4/19.4 kcal/mol,and 26.0/26.0 and 20.7/20.8 kal/mol for adenine and guanine,respectively. Our calculations demonstrate that the barrier heights of chloroaqua are lower than the corresponding values of diaqua for adenine and guanine. In addition,the free energies of activation for guanine in aqueous solution are all smaller than that for adenine,which predicts a preference of 1.9 kcal/mol when trans-[PtCl(H2O)(NH3)(pip)]+ and trans-[Pt(H2O)2(NH3)(pip)]2+ are the active agents and ~1.9 and ~ 5.3 kcal/mol when trans-[PtCl(H2O)(pip)2]+ and trans-[Pt(H2O)2(pip)2]2+ are the active agents,respectively. For the reaction of trans-Pt-chloroaqua (or diaqua) to cis-monoadduct,we obtain the same transition-state structure as from the reaction of trans-Pt-chloroaqua (or diaqua) to trans-monoadduct,which seems that the trans-Pt-chloroaqua (or diaqua) complex can generate trans-or cis-monoadduct via the same transition-state. 展开更多
关键词 DFT trans-[PtCl2NH3(piperidine)] and trans-[PtCl2(piperidine)2] DNA bases transition state activation energy
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Crystal structure of trans-3-phenyl-2-propenoic acid
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作者 Yucui Ma Liang Xu +1 位作者 Cui Wu Zhimao Chao 《Journal of Chinese Pharmaceutical Sciences》 CAS CSCD 2018年第9期644-648,共5页
The title compound of trans-3-phenyl-2-propenoic acid (C9H802), a main active organic acid of cinnamon bark and styrax, was obtained by oxidization from trans-3-phenyl-2-propenaldehyde and characterized by X-ray dif... The title compound of trans-3-phenyl-2-propenoic acid (C9H802), a main active organic acid of cinnamon bark and styrax, was obtained by oxidization from trans-3-phenyl-2-propenaldehyde and characterized by X-ray diffraction analysis. It crystallizes in monoclinic system, space group P21/n with a = 5.55916(10), b = 17.4870(3), c = 7.70677(13) A, V = 744.89(2) A3, Z= 4, Dc= 1.321 g/cm3, Mr = 148.15, F(000) = 312, and/t μ=0.764 mm-1. A total of 2661 reflections with 1447 unique ones (Rint = 0.0137) were collected, in which 1447 were observed (I〉2σ(/)). There were two C9H802 molecules in an asymmetric unit. The structural unit was a dimer formed by the hydrogen bonding of the oxygen atom of carbonyl group and the hydrogen atom of hydroxyl group. A 3D layer structure was formed through hydrogen bonds and Van der Walls' forces. 展开更多
关键词 trans-3-Phenyl-2-propenoic acid Crystal structure Organic acid Layer structure
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N-[反式-2-(3,4-~3H-吡咯基)-环己基]-N-甲基-3,4-二氯-苯乙酰胺盐酸盐的合成
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作者 李德有 马斯才 +2 位作者 李健国 王崇铨 沈德存 《中国药物化学杂志》 CAS CSCD 1990年第1期66-68,共3页
N-[反式-2-(1-吡咯基)环己基]-N-甲基-3,4-二氯-苯乙酰胺盐酸盐(简称U-50488H(K-I))是近年来报道的高选择性的K-阿片受体激动剂,动物实验结果表明:该化合物具有较强的镇痛活性,且成瘾性较低,呼吸抑制较弱,无吗啡样副作用的新型麻醉镇痛... N-[反式-2-(1-吡咯基)环己基]-N-甲基-3,4-二氯-苯乙酰胺盐酸盐(简称U-50488H(K-I))是近年来报道的高选择性的K-阿片受体激动剂,动物实验结果表明:该化合物具有较强的镇痛活性,且成瘾性较低,呼吸抑制较弱,无吗啡样副作用的新型麻醉镇痛剂。为研究它的药理作用,我们用氚标记了U-50488(K-I)。合成该化合物开始原料是N-甲基-反式-2-(1-△~3-吡咯啉基)环己基胺,按一般还原法以氧化铂为催化剂,通氚进行氚化反应,未经分离与3,4一二氯苯乙酸在二环己基碳二亚胺(DCC)存在下进行缩合脱水反应,生成N-[反式-2-(3,4-~3H-吡咯基)环己基]-N-甲基-3,4-二氯-苯乙酰胺,再用氯化氢乙醚处理,制得了氚化的U-50488(K-I)。合成途径如下: 展开更多
关键词 ANALGESIC activity N-[trans-2-(3 4-~3H-pyrrolyl)-cyclohexyl)-N-methyl-3 4-dichloro-benzenacetamide hydrochloride
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Identification and functional characterization of ApisOr23 in pea aphid Acyrthosiphon pisum 被引量:4
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作者 HUANG Tian-yu ZHANG Rui-bin +4 位作者 YANG Lu-lu CAO Song Frederic FRANCIS WANG Bing WANG Gui-rong 《Journal of Integrative Agriculture》 SCIE CAS CSCD 2022年第5期1414-1423,共10页
Pea aphid,Acyrthosiphon pisum,is a serious pest of many different leguminous plants,and it mainly relies on its odorant receptors(Ors)to discriminate among host species.However,less is known about the role that Ors pl... Pea aphid,Acyrthosiphon pisum,is a serious pest of many different leguminous plants,and it mainly relies on its odorant receptors(Ors)to discriminate among host species.However,less is known about the role that Ors play in the host plant location.In this study,we identified a novel conserved odorant receptor clade by phylogenetic analysis,and conducted the functional analysis of ApisOr23 in A.pisum.The results showed that the homologous Ors from A.pisum,Aphis glycines and Aphis gossypii share 94.28% identity in amino acid sequences.Moreover,conserved motifs were analyzed using the annotated homologous Or23 from eight aphid species,providing further proof of the high conservation level of the Or23 clade.According to the tissue expression pattern analysis,ApisOr23 was mainly expressed in the antennae.Further functional study using a heterologous Xenopus expression system revealed that ApisOr23 was tuned to five plant volatiles,namely trans-2-hexen-1-al,cis-2-hexen-1-ol,1-heptanol,4’-ethylacetophenone,and hexyl acetate.Among them,trans-2-hexen-1-al,which is one of the main volatile organic compounds released from legume plants,activated the highest response of ApisOr23.Our findings suggest that the conserved Or23 clade in most aphid species might play an important role in host plant detection. 展开更多
关键词 Acyrthosiphon pisum odorant receptor phylogenetic analysis two-electrode voltage clamp trans-2-hexen-1-al
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Use of Cucurbit [6] Uril as a Modifier in the Electrochemical Determination of Antitumor Platinum (II) Complex: <i>Trans</i>-[PtCl<sub>2</sub>(Dimethylamine) (Isopropylamine)]. Application to Biological Samples
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作者 Carmen S. H. Domínguez Pedro Hernández 《American Journal of Analytical Chemistry》 2013年第6期314-322,共9页
A square wave voltammetry (DPV) method for trans-Pt[Cl2(Dimethylamine)(isopropylamine)] determination is developed. To this end, all the chemical and instrumental variables affecting the determination of trans-Pt[Cl2(... A square wave voltammetry (DPV) method for trans-Pt[Cl2(Dimethylamine)(isopropylamine)] determination is developed. To this end, all the chemical and instrumental variables affecting the determination of trans-Pt[Cl2(Dimethylamine) (isopropylamine)] are optimized. From studies of the mechanisms governing the electrochemical response of trans-Pt[Cl2(Dimethylamine)(isopropylamine)], it was concluded that it was an electrochemically reversible system with an adsorptive oxidation phenomenon. Under optimal conditions, the variation of analytical signal (Ip) with trans-Pt[Cl2(Dimethylamine)(isopropylamine)] concentration was linear in the 0.05 μg·mL-1 to 10 μg·mL-1 range, with a LOD 91 μg·mL-1 of and a LOQ of 303 μg·mL-1, a RSD 1.10% and Er 0.72%. The optimized method was applied to the determination of trans-Pt[Cl2(Dimethylamine)(isopropylamine)] in biological fluids, in human urine and synthetic urine. 展开更多
关键词 trans-[PtCl2(Dimethylamine)(Isopropylamine)] Differential Pulse VOLTAMMETRY (DPV) Square Wave VOLTAMMETRY (SWV) Biological Fluids Human Urine
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皂角刺中黄酮类化学成分的分离鉴定 被引量:22
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作者 李万华 李琴 +1 位作者 王小刚 赵文明 《西北大学学报(自然科学版)》 CAS CSCD 北大核心 2005年第6期763-765,770,共4页
目的研究中药材皂角刺中黄酮类化合物化学成分。方法用溶剂萃取、反复柱层析方法,分离纯化皂角刺中黄酮类化合物,通过NMR,MS等波谱技术确定其化学结构,并进行细胞模型的体外活性筛选。结果从皂角刺中分离得到两种黄酮类化合物,结构鉴定... 目的研究中药材皂角刺中黄酮类化合物化学成分。方法用溶剂萃取、反复柱层析方法,分离纯化皂角刺中黄酮类化合物,通过NMR,MS等波谱技术确定其化学结构,并进行细胞模型的体外活性筛选。结果从皂角刺中分离得到两种黄酮类化合物,结构鉴定为(+)trans-2R,3R-3′,4′,5,7-tetrahydroxyflavanonol(1)和8-C-glucopyranosyl-3,4′,7-trihydroxyflavone(2),化合物2显示出明显的组织蛋白酶B抑制活性(CAT-B模型)。结论该两种化合物均为首次从皂角刺中分离得到的单体黄酮类化合物,且发现化合物2具有组织蛋白酶B抑制活性。 展开更多
关键词 皂角刺 (+)trans-2R 3R-3’ 4’ 5 7-tetrahydroxyflavanonol 8-C—glucopyranosyl-3 4’ 7-trihydroxyflavone
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炔丙型硫Ylide环丙烷化反应及其立体选择性 被引量:1
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作者 刘文剑 路慧哲 +5 位作者 肖玉梅 王明安 杜凤沛 付滨 李楠 覃兆海 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2009年第7期1357-1360,共4页
炔丙型硫Ylide与丙烯酸酯的反应是一个多反应竞争的复杂反应,通常环丙烷化产物收率很低.本文通过对反应底物的优化,成功获得了高收率、高选择性的反式环丙烷化产物.同时利用Gaussian 03程序,选择密度泛函BHHLYP方法,6-31G**基组对反应... 炔丙型硫Ylide与丙烯酸酯的反应是一个多反应竞争的复杂反应,通常环丙烷化产物收率很低.本文通过对反应底物的优化,成功获得了高收率、高选择性的反式环丙烷化产物.同时利用Gaussian 03程序,选择密度泛函BHHLYP方法,6-31G**基组对反应路径及过渡态模型进行了计算,进而采用密度泛函理论中的B3LYP方法,选择6-31G**基组,对顺、反式产物的热稳定性进行了分析,明确了该反应的高非对映选择性是由过渡态的能量差异和产物的热稳定性两个因素共同决定的,而过渡态的能量差异可以归于分子内弱的立体电子效应的不同. 展开更多
关键词 环丙烷化反应 炔丙型硫Ylide trans-2-乙炔基环丙烷羧酸酯 密度泛函理论 过渡态
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Investigation on the Coordinate Structures of the Rare Earth Metal Complexes with Edta and Cydta Ligands
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作者 Wang Jun, Zhang Xiang-dong, Zhang Yang, Liu Zhen-rong Department of Chemistry, Liaoning University, Shenyang 110036, Liaoning, China 《Wuhan University Journal of Natural Sciences》 CAS 2003年第04A期1131-1137,共7页
The crystal and molecular structures of cydta (trans-1, 2-cyclohexanediaminetetraacetic acid) have been determined by single\|crystal X-ray structure analyses. The reasons that RE Ⅲ -edta and RE Ⅲ -cydta compl... The crystal and molecular structures of cydta (trans-1, 2-cyclohexanediaminetetraacetic acid) have been determined by single\|crystal X-ray structure analyses. The reasons that RE Ⅲ -edta and RE Ⅲ -cydta complexes select different coordinate structures were discussed and illustrated through the comparison of the molecular and crystal structures between edta and cydta, (NH_ 4 )\[Y Ⅲ (edta)(H_ 2 O)_ 3 \]\55H_ 2 O and (NH_ 4 )\[Y Ⅲ (cydta)(H_ 2 O)_ 2 \]\55H_ 2 O as well as (NH_ 4 )\[Gd Ⅲ (edta)(H_ 2 O)_ 3 \]\55H_ 2 O and (NH_ 4 )\[Gd Ⅲ (cydta) (H_ 2 O) _ 2 \]\55H_ 2 O complexes. 展开更多
关键词 rare earth edta (ethylenediaminetetraacetic acid) cydta (trans-1 2-cyclohexanediaminetetraacetic acid) COMPLEXES coordinate structures
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Study on the interactions between anti-tumor metal complexes and mononucleotides using trans-[en_(2)Os(h^(2)-H_(2))(CF_(3)SO_(3))](CF_(3)SO_(3))as a^(1)H NMR probe in a competitive mode
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作者 YANG Pin CHEN Huili +2 位作者 FAN Yingfang YUE Lijun MENG Xiangli 《Science China Chemistry》 SCIE EI CAS 2005年第3期227-239,共13页
The interaction of several anti-tumor metal complexes with dGMP have been investigated using trans-[en_(2)Os(h^(2)-H_(2))]^(2+)as a ^(1)H NMR probe in a competitive mode.Me_(2)SnCl_(2),Bu_(2)SnCl_(2),Et_(2)Sn(phen)Cl_... The interaction of several anti-tumor metal complexes with dGMP have been investigated using trans-[en_(2)Os(h^(2)-H_(2))]^(2+)as a ^(1)H NMR probe in a competitive mode.Me_(2)SnCl_(2),Bu_(2)SnCl_(2),Et_(2)Sn(phen)Cl_(2) and Et_(2)SnCl_(2) can bind to dGMP mainly via phosphate;Cp_(2)TiCl_(2) binds to dGMP mainly via phosphate and N_(7).The binding constant for(CH_(3))_(2)SnCl_(2) binding to phos-phate of dGMP exceeds 2.71×10^(4).The binding constant for Cp_(2)TiCl_(2) to phosphate is even greater than that of Sn(IV).Cis-platin has high affinity for both N_(7) and phosphate,but mainly for N_(7).Binding of the probe to N_(7) of dGMP reduces the binding affinity for phosphate of the same dGMP molecule by a factor of 5 to 6.Much the same factor is expected to apply to other metals containing agents interacting with dGMP. 展开更多
关键词 trans-[en_(2)Os(h^(2)-H_(2))]^(2+) dGMP anti-tumor metal complex competitive mode.
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用锇胺分子氢探针以竞争模式研究金属抗癌剂与核苷酸的作用
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作者 杨频 陈绘丽 +2 位作者 范英芳 岳丽君 孟祥丽 《中国科学(B辑)》 CSCD 北大核心 2004年第6期478-489,共12页
早期的工作表明很多亲核试剂可以置换trans-[en2Os(η2-H2)D2O]2+(称其为探针)中的D2O,导致其特征H2的1H NMR负区化学位移发生变化. 如果亲核试剂与探针的键合常数可以测得, 则它与其他金属离子的键合常数也可方便地求出. 运用此探针以... 早期的工作表明很多亲核试剂可以置换trans-[en2Os(η2-H2)D2O]2+(称其为探针)中的D2O,导致其特征H2的1H NMR负区化学位移发生变化. 如果亲核试剂与探针的键合常数可以测得, 则它与其他金属离子的键合常数也可方便地求出. 运用此探针以竞争模式系统研究了 Cp2TiCl2,R2SnCl2, 抗癌药物顺铂等与 dGMP 之间的作用, 详细诠释了它们的竞争键合、组分变化、键合常数之间的定量关系, 论述了不同药剂与 dGMP 结合的差异. 结果表明, 在探针与 dGMP 的体系中加入药物后, 药物和探针对 dGMP 的咪唑氮 N7和磷酸氧两个位点进行竞争结合. 对于 Cp2TiCl2,Ti 与磷酸氧、咪唑氮均有明显的结合; 而(CH3)2SnCl2 与 dGMP 的磷酸氧有明显键合, 与咪唑氮则甚少结合. 探针与 N7 的键合将导致它对同一 dGMP 分子上磷酸氧的键合能力减弱. 研究这些抗肿瘤金属络合物与单核苷酸、尤其是 DNA 的基本单元 dGMP 之间的作用, 对于阐明络合物与DNA 键合模式是重要的. 预期这一结论同样适用于其他金属络合物与核苷酸的键合. 展开更多
关键词 分子氢锇胺探针 trans-[en2Os(η^2-H2)D2O]^2+ 竞争模式 金属抗癌剂 核苷酸 抗癌药物
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