Compositional Quantitation and Brand Identification of Beer via NMR Approach Combined with Multivariate Statistical Analysis

利用核磁共振技术检测福建产青岛、雪花、雪津麦之初和惠泉一麦等4种不同品牌啤酒的化学组分,结合多元统计方法分析不同啤酒的主成分差异,获得麦芽糖、葡萄糖、丙氨酸、乙酸等26种主要差异组分。并结合2种重要风味物质甘氨酸、丙酮酸,定量分析这28种主要成分,获得不同类型啤酒之间的组成差异及它们对啤酒风味的影响;进而建立啤酒的Fisher判别模型,实现不同品牌啤酒的鉴别。本研究可以检测不同来源啤酒样品的差异化学成分及含量,又可为其他酒类的鉴定分类提供参考。In this study, the chemical components of four beer samples of different brands including Tsingtao, Snow, Xuejin and Huiquan were quantitatively analyzed using NMR spectroscopy, and their differential components were identified by multivariate statistical analysis. 26 differential components were obtained, including maltose, glucose, alanine and organic acids. Quantitative analysis of the 26 components plus 2 important flavoring components glycine and pyruvate acid were carried out to confirm the compositional differences between these four kinds of beer and to understand their influence on the special flavor of beer. Furthermore, Fisher classification discriminant model was successfully established for the identification of beer of different brands. This study provided a new method to detect the chemical components and their content in beer of different brands, and a useful reference for the classification of other alcoholic drinks.国家自然科学基金项目(31372546,81371639);; 福建省自然科学基金项目(2014J01247,2015Y0032);; 中央高校基本科研业务费项目(20720150018

A Biocompatible Gadolinium(Ⅲ)-Poly(Aspartic Acid-Co-Phenylalanine) for Liver Magnetic Resonance Imaging Contrast Agent

一种新型的以天门冬氨酸-苯丙氨酸共聚物为载体的大分子生物相容性材料(AP-EdA-dOTA-gd)被制备出来作为磁共振成像造影剂.首先合成了天门冬氨酸-苯丙氨酸共聚物,之后利用乙二胺将1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸(dOTA)连接到共聚物上,最后将钆离子通过配位的作用方式连接到dOTA上,最终得到大分子AP-EdA-dOTA-gd.体外溶血性试验表明AP-EdA-dOTA-gd具有较好的血液相容性.在P H=5.5的组织蛋白酶b的磷酸缓冲液中,AP-EdA-dOTA-gd能够降解.APEdA-dOTA-gd的体外弛豫效率(15.95 MMOl–1·l·S–1)为目前临床应用的gd-dOTA(5.59MMOl–1·l·S–1)的2.9倍.大鼠肝脏成像实验结果表明,AP-EdA-dOTA-gd对于肝组织的成像增强对比度为63.5±6.1%远高于gd-dOTA(24.2±2.9%).A new biocompatible gadolinium(III)-macromolecule(AP-EDA-DOTA-Gd) was developed as a magnetic resonance imaging(MRI) contrast agent.Poly(aspartic acid-cophenylalanine) was synthesized, modified via ethylenediamine, conjugated with 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid(DOTA) and finally chelated gadolinium(III), yielding gadolinium(III)-based macromolecule(AP-EDA-DOTA-Gd).The hemolytic tests showed the hemocompatibility of this gadolinium(III)-based macromolecular conjugate.In vitro, AP-EDA-DOTA-Gd could be degraded, when it was incubated with cathepsin B in phosphate buffered solution(p H = 5.5).The T1-relaxivity(15.95 mmol–1·L·s–1) of AP-EDA-DOTA-Gd was 2.9 times of that(5.59 mmol–1·L·s–1) of the clinical MRI contrast agent(Gd-DOTA) at 1.5 T and 25 ℃.The liver enhancement of AP-EDA-DOTA-Gd was 63.5±6.1% during the maximum enhancement time(50-80 min), which was much better than that of Gd-DOTA(24.2±2.9%, 10-30 min).AP-EDA-DOTA-Gd was expected to be a potential liver MRI contrast agent.TheNationalNaturalScienceFoundationofChina(20975097and21305134

Positive contrast imaging of SPIO nanoparticles

It is advantageous to achieve positive contrast images instead of negative contrast images in superparamagnetic iron-oxide (SPIO) nanoparticles-based MR imaging in order to distinguish the signal surrounding SPIO nanoparticles from the dark signal due to local field inhomogeneity and the artifacts due to tissue interface and background noise, eliminate the inherent defects in the traditional MRI such as partial-volume effects and large void volume for reliable visualization, and increase contrast-to-noise ratio. Many methods generating positive signal with SPIO nanoparticles have been developed in the last decade. This paper provides an overview of current visualization methods and states their advantages and disadvantages. In practice, these techniques have been widely applied to cell labeling and disease diagnosis and monitoring. However, there is still a need for an ideal method to achieve both accuracy and sensitivity. Copyright 漏 2012 Chenghong Lin et al

基于核磁共振技术的临床尿毒症的代谢组学研究

采用核磁共振技术与统计学分析方法,结合尿液的生化指标,进行临床尿毒症尿样的代谢组学研究。结果表明,尿毒症患者和健康对照人群尿样的代谢轮廓存在明显差异,通过核磁共振氢谱鉴定出70种代谢物,其中20种具有显著差异。与健康人群相比,尿毒症患者尿液中2-羟基异丁酸、3-羟基丁酸、丙酮、丁酸、谷氨酸、肌氨酸、肌酐、赖氨酸、N,N-二甲基组氨酸、柠檬酸、天冬酰胺、乙醇和乙醇胺的含量明显偏低,而支链氨基酸(包括亮氨酸、缬氨酸、异亮氨酸)、牛磺酸、乳酸、α-葡萄糖和β-葡萄糖的含量明显偏高。这些代谢物涉及氨基酸代谢、能量代谢和脂质代谢中的多条代谢途径,可作为尿毒症代谢影响的潜在的生物标志物,有助于理解尿毒症发病的生化机制。国家自然科学基金项目(Nos.31671920,81272581)资助~

An insight into the metabolic responses of ultra-small superparamagnetic particles of iron oxide using metabonomic analysis of biofluids

National Natural Science Foundation of China [20605025, 20905075]; Chinese Academy of Sciences; CAS Program for Excellent Doctoral ThesisUltra-small superparamagnetic particles of iron oxides (USPIO) have been developed as intravenous organ/tissue-targeted contrast agents to improve magnetic resonance imaging (MRI) in vivo. However, their potential toxicity and effects on metabolism have attracted particular attention. In the present study, uncoated and dextran-coated USPIO were investigated by analyzing both rat urine and plasma metabonomes using high-resolution NMR-based metabonomic analysis in combination with multivariate statistical analysis. The wealth of information gathered on the metabolic profiles from rat urine and plasma has revealed subtle metabolic changes in response to USPIO administration. The metabolic changes include the elevation of urinary alpha-hydroxy-n-valerate, o- and p-HPA, PAG, nicotinate and hippurate accompanied by decreases in the levels of urinary alpha-ketoglutarate, succinate, citrate, N-methylnicotinamide, NAG, DMA, allantoin and acetate following USPIO administration. The changes associated with USPIO administration included a gradual increase in plasma glucose, N-acetyl glycoprotein, saturated fatty acid, citrate, succinate, acetate, GPC, ketone bodies (beta-hydroxybutyrate, acetone and acetoacetate) and individual amino acids, such as phenylalanine, lysine, isoleucine, glycine, glutamine and glutamate and a gradual decrease of myo-inositol, unsaturated fatty acid and triacylglycerol. Hence USPIO administration effects are reflected in changes in a number of metabolic pathways including energy, lipid, glucose and amino acid metabolism. The size- and surface chemistry-dependent metabolic responses and possible toxicity were observed using NMR analysis of biofluids. These changes may be attributed to the disturbances of hepatic, renal and cardiac functions following USPIO administrations. The potential biotoxicity can be derived from metabonomic analysis and serum biochemistry analysis. Metabonomic strategy offers a promising approach for the detection of subtle physiological responses on mammalian metabolism, and can be employed to investigate the potential adverse effects of other nanoparticles and nanomaterials on the environment and human health