QSPR Study on the Boiling Points of Some Oxygenand Sulfur-containing Organic Compounds

Structural and thermodynamic parameters of 56 oxygen-containing and 56 sulfur- containing organic compounds were computed at the B3LPY/6-311G＊＊ level using density functional theory （DFT） method. Furthermore,the dependent equations between the experimental data of boiling points （Tb） and theoretical parameters were proposed with SPSS12.0 for windows software,whose correlation coefficients R2 are 0.933 and 0.945. These dependent equations were validated by cross-validation method （q2 are 0.923 and 0.929,respectively）. VIF （variance inflation factors） and t-value methods were also used to verify the significance and self-correlationship of each variable. Results indicate that our dependent equation exhibits good prediction ability,and molecular polarizability （α） is the main factor affecting the Tb of oxygen- and sulfur-containing organic compounds. To our interest,obvious dependence could also be found among the oxygen- and sulfur-containing organic compounds＇ experimental data of boiling points （Tb） with R^2 of 0.857.

An Innovative Method for the Determination of Sulfur-containing Compounds by Vapor Molecular Absorption Spectrometry

Since the most sensitive resonance lines of nonmetallic elements are situated in vacuum ultraviolet region （below 190 nm）, they can not be directly determined with a common AAS instrument covering the spectral range from 190 to 700 nm. The molecular absorption spectrometry is often used for the determination of nonmetallic elements. Syty et al. used vapor molecular absorption spectrometry（VMAS） to determine the sulfur dioxide and sulfide, in which a hydrogen hollow cathode lamp was used as a continuum source to determine SO;at 210 nm and a deuterium arc

Nickel(II)-Catalyzed Reductive Coupling of Xanthate Esters with Sulfur-Containing and Selenium-Containing Compounds:Synthesis of Unsymmetric Sulfides and Selenides

Unsymmetric sulfides and selenides have great applications in the pharmaceutical field.Herein,we describe the reductive coupling reaction of xanthate esters with sulfur-containing and selenium-containing compounds(thio(seleno)sulfonates and disulfides(selenides))under the nickel-catalyzed condition.It provides a mild and effective method for the synthesis of unsymmetric sulfides and selenides which has the advantages of mild reaction conditions,high yields and a wide range of substrates.

微冻贮藏臭鳜鱼品质、蛋白质组成和挥发性风味物质的变化

以-2℃贮藏的臭鳜鱼为对象,研究其在贮藏过程中蒜瓣肉品质、蛋白质组成以及挥发性风味物质的变化规律。结果表明:贮藏15 d后,鱼体蒜瓣肉出现明显发红现象,色泽a*值由负值(绿色)变为正值(红色),白度明显下降,硬度不断增加,弹性和凝聚性不断下降,整体感官品质明显下降。十二烷基硫酸钠-聚丙烯酰胺凝胶电泳(SDS-PAGE)结果显示,在微冻贮藏过程中,鱼肉肌浆蛋白、肌原纤维蛋白在不断降解。气相色谱-离子迁移谱(GC-IMS)结果表明,臭鳜鱼贮藏过程中被检出31种挥发性风味物质,其中辛醛、丙酸、3-羟基-2-丁酮、乙酸己酯、丁酸戊酯随着贮藏时间的延长不断积累,具有刺激性臭味的丙酸含量较高,且贮藏15 d后明显增加,不利于臭鳜鱼正常风味的保持。结论:在-2℃微冻贮藏条件下,15 d内臭鳜鱼的感官及风味品质能较好地保持,15 d后开始劣变。研究结果为臭鳜鱼在微冻贮藏过程中的品质调控提供一定的理论依据。

复式大蒜种子方向控制装置设计与试验

为提高大蒜播种机对杂交蒜的播种正芽率,提出串联使用大蒜种子重心靠下和大蒜种子芽尖细长特征进行种子方向控制的方法,即在排种器运种阶段设计分段式护种槽,利用大蒜种子重心靠下特征提高种子直立进入定向器的概率,在换向阶段设计弧形开口定向器,使大蒜种子芽尖尽可能露出定向器,提高短芽尖大蒜鳞芽的正芽率。以定向速度和种子芽尖长度为试验因素,正芽率为试验指标,进行台架试验,结果表明,蒜瓣芽尖长度对播种机正芽率影响较为明显,正芽率随定向速度的增加而降低。以金乡杂交蒜为试验对象,对定向系统进行田间播种性能试验,试验结果表明:行走速度为0.14~0.19 m/s时,金乡杂交蒜的正芽率达85%,整体满足大蒜播种农艺要求。串联使用大蒜种子两种物理特征从作业原理上可提高大蒜种子定向稳定性,为大蒜播种机械化发展提供参考。

基于主成分分析结合智能感官评价法优化蒜姜复合调味汁配方研究

为优化蒜姜复合调味汁配方,利用智能感官评价法,选择感官分析、色差分析、电子舌和电子鼻评判蒜姜复合调味汁的品质,基于主成分分析法筛选出决定蒜姜复合调味汁品质的前两个因素;再以这两个因素作为比较系数,在固定生抽酱油体积比5%、料酒体积比5%的条件下,调整蒜、姜比例,以蒜姜的质量比为1∶1、1∶2、2∶1制作蒜姜复合调味汁,优化蒜姜复合调味汁配方。研究结果表明,电子舌响应值和色差值的累计方差贡献率为99.65%,可用于对蒜姜复合调味汁品质的综合评价。在蒜姜的质量比为1∶2、生抽酱油体积比为5%和料酒体积比为5%的条件下,蒜姜复合调味汁的品质综合评分较高,此款复合调味汁适宜作为腌制复合调料汁使用,适用于肉类和水产品的烹调。

基于超高效液相色谱-三重四极杆串联质谱法的黑蒜加工过程中特征成分变化规律

基于超高效液相色谱-三重四极杆串联质谱技术建立了黑蒜中10种风味前体物质和21种游离氨基酸同时测定的检测方法。将该方法应用于黑蒜加工过程中特征成分变化规律的研究,结果表明,在温度75℃、相对湿度85%条件下,黑蒜中的特征成分含量在加工过程中发生了较大改变。其中,γ-氨基丁酸、S-烯丙基-L-半胱氨酸、异蒜氨酸、谷氨酰胺、甲基蒜氨酸、蒜氨酸、色氨酸和γ-L-谷氨酰-S-烯丙基-L-半胱氨酸变化最为显著,是黑蒜加工过程中小分子代谢物变化的化学标志物。该方法灵敏度高、准确性好,可满足检测需求。

Applying a highly specific and reproducible cDNA RDA method to clone garlic up-regulated genes in human gastric cancer cells

AIM: To develop and optimize cDNA representational difference analysis (cDNA RDA) method and to identify and clone garlic up-regulated genes in human gastric cancer (HGC) cells. METHODS: We performed cDNA RDA method by using abundant double-stranded cDNA messages provided by two self-constructed cDNA libraries (Allitridi-treated and paternal HGC cell line BGC823 cells cDNA libraries respectively). Bam H I and Xho I restriction sites harbored in the library vector were used to select representations. Northern and Slot blots analyses were employed to identify the obtained difference products. RESULTS: Fragments released from the cDNA library vector after restriction endonuclease digestion acted as good marker indicating the appropriate digestion degree for library DNA. Two novel expressed sequence tags (ESTs) and a recombinant gene were obtained. Slot blots result showed a 8-fold increase of glia-derived nexin/protease nexin 1 (GDN/PN1) gene expression level and 4-fold increase of hepatitis B virus x-interacting protein (XIP) mRNA level in BGC823 cells after Allitridi treatment for 72h. CONCLUSION: Elevated levels of GDN/PN1 and XIP mRNAs induced by Allitridi provide valuable molecular evidence for elucidating the garlic's efficacies against neurodegenerative and inflammatory diseases. Isolation of a recombinant gene and two novel ESTs further show cDNA RDA based on cDNA libraries to be a powerful method with high specificity and reproducibility in cloning differentially expressed genes.

A Clinical Investigation on Garlicin Injectio for Treatment of Unstable Angina Pectoris and Its Actions on Plasma Endothelin and Blood Sugar Levels

To investigate the therapeutic effects and mechanisms of garlicin for treatment of unstable angina pectoris (UAP), garlicin injectio was intravenously dripped 60 mg/day in 34 cases for 10 days. Nitroglycerine was used in 21 cases of the control group. The results showed that the total effective rates in improving symptoms and electrocardiogram after garlicin treatment were respectively 82% and 62%, and that the plasma endothelin and blood sugar levels were markedly lowered in cases with hyperglycemia.

Influence of Polyphenolic Contents on the Antioxidant Properties of Hibiscus sabdariffa Extract (HSE), Aged Garlic Extract (AGE) and Garlic Tablet (GT) in Vitro

This study compared the antioxidant properties of Hibiscus sabdariffa extract (HSE), commercial aged garlic extract (AGE, Kyolic) and garlic tablet (GT). The results indicate that HSE, AGE and GT are effective antioxidant as xanthine/xanthine oxidase generated superoxide ions are significantly inhibited in the presence of 20% (v/v) diethyl ether extract of HSE, AGE and GT by 100%, 66.39% and 18.61% respectively, while uric acid production is not affected byAGEand GT. However, at 2.5% and 5.0% (v/v) reaction volumes,HSEsignificantly inhibits uric acid production by 9.5% and 33.0% respectively, and this suggests that components ofHSEinhibit xanthine oxidase activity while AGE and GT scavenge superoxide. In addition, it is also found that the three extracts scavenge ABTS radical cations in dose-dependent manner. In all cell free assays, HSE is found to be more effective as an antioxidant when compared with AGE and GT under the same experimental conditions. Chromatographic and colorimetric analyses suggest thatHSEhas numerous different types of phenolic compounds with higher amount of phenolic compounds (14.9 mg/g) when compared withAGE(2.8 mg/g) and GT (3.6 mg/g) catechin equivalent respectively. Therefore, the effectiveness of antioxidant activities of these three extracts may be related to their phenolic content.

响应面法优化黑蒜复合酱制备工艺及其抗氧化活性研究

以新疆吉木萨尔县大蒜为原料,结合课题组研制的短时黑蒜加工工艺制备黑蒜,以具有新疆特色的辣椒和番茄酱为主要原料,辅以食用油、食用盐、料酒、五香粉、味精、鸡精、花椒粉、白胡椒粉等炒制后杀菌制成黑蒜复合酱,以单因素试验为基础,以感官评分、DPPH和ABTS自由基的清除能力为指标,再利用响应面设计对黑蒜复合酱制备工艺进行优化,并对其理化指标进行检测。结果表明,当黑蒜添加量为35 g、辣椒添加量为20 g、番茄酱添加量为13 g、食用油添加量为30%、食用盐添加量为3%、料酒添加量为1.5%、五香粉添加量为1%、味精添加量为0.6%、鸡精添加量为0.6%、花椒粉添加量为0.6%、白胡椒粉添加量为0.4%、炒制时间为8 min时,制得的黑蒜复合酱的感官评分为85.42分,对DPPH自由基的清除能力为17.01 mg TE/g,对ABTS自由基的清除能力为34.91 mg TE/g,总抗氧化能力为15.45 U/mL,得到的黑蒜复合酱理化指标符合复合调味品的标准,并且制备工艺简单易操作,产品对自由基清除能力强,具有较好的抗氧化活性,可为工业化生产提供参考依据,丰富调味品市场。

Sulfur-containing amino acid methionine as the precursor of volatile organic sulfur compounds in algea-induced black bloom

After the application of methionine, a progressive and significant increase occurred in five volatile organic sulfur compounds （VOSCs）： methanethiol （MESH）, dimethyl sulfide （DMS）, dime^yl disulfide （DMDS）, dimethyl trisulfide （DMTS） and dimethyl tetrasulfide （DMTeS）. Even in the untreated control without a methionine addition, methionine and its catabolites （VOSCs, mainly DMDS） were found in considerable amounts that were high enough to account for the water＇s offensive odor. However, blackening only occurred in two methionine-amended treatments. The VOSCs production was observed to precede black color development, and the reaching of a peak value for total VOSCs was often followed by water blackening. The presence of glucose stimulated the degradation of methionine while postponing the occurrence of the black color and inhibiting the production of VOSCs. In addition, DMDS was found to be the most abundant species produced after the addition of methionine alone, and DMTeS appeared to be the most important compound produced after the addition of methionine＋glucose. These results suggest that methionine acted as an important precursor of the VOSCs in lakes suffering from algea-induced black bloom. The existence of glucose may change the transformation pathway of methionine into VOSCs to form larger molecular weight compounds, such as DMTS and DMTeS.

山东省大蒜有机元素检测与分析

本试验以山东省65个大蒜样本为研究对象,采用有机元素分析仪对不同地区及品种大蒜中C、H、N和S共4种有机元素进行了测定,并分析了有机元素与大蒜中主要含硫化合物的相关性。结果表明,山东省大蒜中C、H、N和S平均含量分别为41.80%、6.30%、2.81%和0.83%,与其他蔬菜相比整体含量较高。不同品种、产地大蒜中有机元素含量均存在显著差异,东营、临沂和潍坊大蒜4种有机元素最为丰富,济宁大蒜中4种有机元素含量相对较低;相较于其他品种,鲁蒜一号大蒜中C、H、N、S含量较为丰富。N和S元素与大蒜中主要的含硫化合物存在较强的正相关性,后期可以作为预测大蒜中主要含硫化合物含量水平的特征性指标,从而实现大蒜品质的快速评价。

大蒜有机硫化物对药物代谢酶和转运体影响的研究进展

近年来,大蒜有机硫化物(GOSCs)及其活性代谢产物在慢性阻塞性肺疾病(COPD)的治疗中表现出低毒高效的效果,且可减少布地奈德等药物的不良反应,因此GOSCs具有单独开发和与现有药物复方开发的巨大潜力。为发现可能存在的药物相互作用,我们需明确GOSCs及活性代谢产物对药物代谢酶和转运体的影响。通过查阅PubMed、中国知网及万方数据等数据库,检索到GOSCs药理作用相关文献46篇,GOSCs代谢转运和生物转化机制相关文献46篇及COPD相关文献6篇。作者对主要的GOSCs及活性代谢物的药理活性、生物转化机制,对主要的药物Ⅰ相、Ⅱ相代谢酶及药物转运体的调控机制进行综述,并结合目前主流COPD治疗药物的代谢机制,推测了药物联用可能发生的药物相互作用,以期为GOSCs的进一步开发和临床合理用药提供理论基础。

Sulfur-containing compounds as electrolyte additives for lithium-ion batteries

Originating from“rocking-chair concept”,lithium-ion batteries(LIBs)have become one of the most important electrochemical energy storage technolo-gies,which have largely impacted our daily life.The utilization of electrolyte additives in small quantities(≤5%by wt or vol)has been long viewed as an economical and efficient approach to regulate the properties of electrolyte and electrode–electrolyte interphases and consequently improve the cycling perfor-mance of LIBs.Among all the kinds of electrolyte additives,sulfur-containing compounds have gained significant attention due to their unique features in building stable electrode–electrolyte interphases and protect battery cells from overcharging.In this work,advances and progresses of sulfur-containing addi-tives used in LIBs are overviewed,with special attention paid to the working mechanisms of these electrolyte additives.Particularly,four representative sulfur-containing compounds(i.e.,1,3-propane sultone,prop-1-ene-1,3-sultone,1,3,2-dioxathiolane-2,2-dioxide,and ethylene sulfite)are comparatively dis-cussed concerning their impact on electrode–electrolyte interphases and cell per-formances.Future work on the development of sulfur-containing compounds as functional electrolyte additives is also provided.The present review is antici-pated to be not only a base document to access the status quo in this research domain but also a guideline to select specialized additives and electrolytes for practical applications.

Recent advances in the application of sulfinic acids for the construction of sulfur-containing compounds

Sulfur-containing organic compounds display wide applications in the field of materials science,synthetic chemistry,and pharmaceutical industry.Thus,numerous synthetic strategies have been developed for the synthesis of sulfur-containing compounds in synthetic chemistry.In recent years,the utilization of sulfinic acids as versatile synthons has emerged as attractive and powerful approach to access various organosulfur compounds through sulfonylation,sulfinylation or sulfenylation reactions.In this review,we summarized the recent progress in the construction of various sulfur-containing compounds from sulfininc acids.Selected examples of substrates and the related reaction mechanisms are described here.This review intends to provide readers a comprehensive understanding on the synthesis of sulfur-containing molecules from sulfinic acids and provide help for future synthetic research.

大蒜功能成分研究进展

综述近年来大蒜功能成分方面的研究进展。大蒜功能成分主要分为挥发性化合物和非挥发性化合物两大类,挥发性化合物主要包括硫代亚磺酸酯类及其他脂溶性有机硫化物,非挥发性功能物质主要包括水溶性有机硫化物、类固醇皂苷、皂苷配基、类黄酮类、酚类等。同时,介绍大蒜功能成分的生成途径和蒜氨酸酶的作用、大蒜的药理作用和食用大蒜的可能副作用。

大蒜挥发物和浸提液对辣椒疫霉菌的抑菌活性分析

采用菌丝生长速率法和凹玻片法测定了大蒜各部位挥发物和浸提液对辣椒疫霉菌各生育阶段的抑菌活性,并用GC-MS深入分析了大蒜浸提液中的抑菌活性成分,以期为利用大蒜和辣椒轮作或间作控制辣椒疫病提供指导。试验结果表明,大蒜各组织挥发物和浸提液对辣椒疫霉菌均具有抑菌活性,其中蒜瓣抑菌活性最强,挥发物浓度0.3 g/皿即完全抑制辣椒疫霉菌菌丝生长,浸提液浓度16.7 mg/mL时的抑制率为67.09%。蒜瓣浸提液浓度2 mg/mL时对辣椒疫霉菌游动孢子释放、休止和萌发的抑制率分别为18.44%,100%和100%。GC-MS分析表明,3种组织浸提液中均含有多种含硫化合物,包括二烯丙基一硫化物(DAS)、二烯丙基二硫化物(DADS)、二烯丙基三硫化物(DATS)和二甲基三硫化物(DMTS)等。化合物单体活性验证结果表明,DADS、DATS和DMTS均具有抑菌活性,其中二烯丙基三硫化物(DATS)抑菌活性最强,浓度100 mg/L时抑制率为47.30%。综上所述,大蒜不同组织产生和释放的含硫化合物对辣椒疫霉菌具有杀菌活性,生产上可以利用大蒜和辣椒间作或轮作降低辣椒疫病的危害。

大蒜精油β－环糊精包合物的特性研究

大蒜精油β－环糊精包合物的特性研究马学毅，李晓明，潘惠平，陈耀祖（兰州大学应用有机化学国家重点实验室、兰州大学化学系，兰州，７３００００）关键词大蒜精油，β－环糊精，包合物大蒜精油中含有多种烯丙基、丙基和甲基组成的硫醚化合物［１，２］，具有抗小鼠结肠...

响应曲面法优化大蒜中总酚提取工艺及其抗氧化活性测定

采用响应曲面法对料液比、提取时间、不同体积分数酸化甲醇提取剂3个因素进行优化,以料液比、提取时间、不同体积分数酸化甲醇提取剂为自变量,总酚提取量为响应值,利用Box-Behnken设计原理和响应曲面法,研究各自变量及其交互作用对总酚提取的影响,模拟求得二次多项回归方程的预测模型,并确定料液比1:14(g/mL)、提取时间31min、80%酸化甲醇为提取剂是最佳的提取条件。在此条件下,总酚提取量为0.67mg GAE/g,模型预测值偏差为6.9%,证明所选工艺条件为最佳工艺条件。同时,用5种方法对其抗氧化活性进行测定,结果表明大蒜具有良好的抗氧化活性。