Chemical Constituents,Antioxidant, and Enzyme Inhibitory Activities Supported by In-Silico Study of n-Hexane Extract and Essential Oil of Guava Leaves

Psidium guajava (Guava tree) is one of the most widely known species in the family Myrtaceae. The Guava tree has been reported for its potential antioxidant, anti-inflammatory, antimicrobial, and cytotoxic activities. In the current study, the chemical compositions of the n-hexane extract and the essential oil of P. guajava were investigated using the GC/MS analysis, along with an evaluation of their antioxidant potential, and an investigation into the enzyme inhibition of acetylcholinesterase (AChE), butyrylcholinesterase (BchE), tyrosinase, α-amylase, and α-glucosidase. Moreover, molecular docking of the major identified active sites of the target enzymes were investigated. The chemical characterization of the n-hexane extract and essential oil revealed that squalene (9.76%), α-tocopherol (8.53%), and γ-sitosterol (3.90%) are the major compounds in the n-hexane extract. In contrast, the major constituents of the essential oil are D-limonene (36.68%) and viridiflorol (9.68%). The n-hexane extract showed more antioxidant potential in the cupric reducing antioxidant capacity (CUPRAC), the ferric reducing power (FRAP), and the metal chelating ability (MCA) assays, equivalent to 70.80 ± 1.46 mg TE/g, 26.01 ± 0.97 mg TE/g, and 24.83 ± 0.35 mg EDTAE/g, respectively. In the phosphomolybdenum (PM) assay, the essential oil showed more antioxidant activity equivalent to 2.58 ± 0.14 mmol TE/g. The essential oil demonstrated a potent BChE and tyrosinase inhibitory ability at 6.85 ± 0.03 mg GALAE/g and 61.70 ± 3.21 mg KAE/g, respectively. The α-amylase, and α-glucosidase inhibitory activity of the n-hexane extract and the essential oil varied from 0.52 to 1.49 mmol ACAE/g. Additionally, the molecular docking study revealed that the major compounds achieved acceptable binding scores upon docking with the tested enzymes. Consequently, the P. guajava n-hexane extract and oil can be used as a promising candidate for the development of novel treatment strategies for oxidative stress, neurodegeneration, and diabetes mellitus diseases.     

Chemometric Analysis of Urinary Volatile Organic Compounds to Monitor the Efficacy of Pitavastatin Treatments on Mammary Tumor Progression over Time

Volatile organic compounds (VOCs) in urine are potential biomarkers of breast cancer. Previously, our group has investigated breast cancer through analysis of VOCs in mouse urine and identified a panel of VOCs with the ability to monitor tumor progression. However, an unanswered question is whether VOCs can be exploited similarly to monitor the efficacy of antitumor treatments over time. Herein, subsets of tumor-bearing mice were treated with pitavastatin at high (8 mg/kg) and low (4 mg/kg) concentrations, and urine was analyzed through solid-phase microextraction (SPME) coupled with gas chromatography-mass spectrometry (GC-MS). Previous investigations using X-ray and micro-CT analysis indicated pitavastatin administered at 8 mg/kg had a protective effect against mammary tumors, whereas 4 mg/kg treatments did not inhibit tumor-induced damage. VOCs from mice treated with pitavastatin were compared to the previously analyzed healthy controls and tumor-bearing mice using chemometric analyses, which revealed that mice treated with pitavastatin at high concentrations were significantly different than tumor-bearing untreated mice in the direction of healthy controls. Mice treated with low concentrations demonstrated significant differences relative to healthy controls and were reflective of tumor-bearing untreated mice. These results show that urinary VOCs can accurately and noninvasively predict the efficacy of pitavastatin treatments over time.     

多溴联苯在聚二甲基硅氧烷与水相间分配系数的固相微萃取技术测定

结合静态固相微萃取与液液萃取方法,采用目标物的同分异构体作一对一的回收率指示物以确保水中目标物定量的准确性,建立了气相色谱-质谱测定6种多溴联苯在聚二甲基硅氧烷和水相间的分配系数(Kf)的方法.本研究选用7μm厚度的固相微萃取头,将所测logKf与logKow(正辛醇-水分配系数)作图,通过比较其相关性来判断固相微萃取头涂层的萃取机理,得到了良好的线性关系(r=0.975 7),表明吸收是聚二甲基硅氧烷涂层与上述6种多溴联苯发生作用的主要机理.然而,该结论对于其它强憎水性有机污染物(VHOCs)是否具有普遍性,仍有待于进一步研究加以证明.     

喷气燃料的化学组成与理化性质的定量关系研究

利用GC/MS分析了80个喷气燃料样品的烃族化学组成,将其分为直链烃、异构烃、环烷烃、芳烃、十氢萘五大类,并测定了燃料的密度、苯胺点、热值、冰点、闪点及沸程等主要理化性质.构建了喷气燃料组成和性质关系的数据库,考察了喷气燃料的烃族组成及沸程对各种性质的影响.结合Cookson等的理论,建立了八个模型方程,通过多元线性回归预测烃族化学组成与理化性质关系, 与已报道的其他方程比较,新模型的相关系数明显提高.     

脂肪酸成分的气相色谱分析

本文用气相色谱法对从粮油下脚所得的脂肪酸进行了成分分析     

不同紫锥花种属中挥发性组分的气相色谱/质谱分析

通过气相色谱/质谱联用技术分析了三种常见紫锥花种属E. Angustifolia, E. Pallida和 E. Purpurea中挥发性组分.从结果分析,这些挥发性组分对于其药效也有部分贡献.     

顶空气相色谱法测定空心胶囊中环氧乙烷残留量

针对2010年版中国药典规定的顶空气相色谱法测定空心胶囊中环氧乙烷残留量的干扰物问题,使用气相色谱-质谱(GC-MS)联用技术进行了系统的考察,发现干扰物主要来自实验用水中溶解的CO2,对实验用水在使用前加热煮沸即可有效地去除干扰.同时,选用RTX-WAX色谱柱,在柱温40℃,载气流量0.8 mL/min时分离效果和峰型最好.在此基础上对药典方法进行了改进,实验结果表明:环氧乙烷含量为0.21～12.67μg时呈良好的线性关系,相关系数r=0.999 9;最低检出限为0.03μg,加标回收率为98.6%～103.2%,相对标准偏差为0.7%～1.7%.     

杏四～六面积北部聚驱后微生物对原油的降解作用研究

2001年大庆油田杏四～六面积北部开始聚驱,油水样品选自该区两口试验井,通过对两种不同激活配方培养20 d后的培养液评价得到:微生物在②号原油降解样品激活体系中的生长情况较好,20 d后菌浓可以达到108,排油圈在7 d后达到最大17 cm;微生物菌群分布结构较所加入水样的分布结构发生了明显变化,部分非优势菌被激活;其中鞘氨醇杆菌属(Sphin-gobacterium)、油杆菌属(Petrobacter)、拟芽孢杆菌属(Paenibacillus)等都在采油过程中发挥着重要的作用。微生物作用后原油的四组分变化明显,其中饱和烃由原始样品的63.11%增加到66.27%,沥青质由4.57%下降为2.81%;气相色谱和色质联用数据显示:原油经微生物降解后主峰碳由C21变为C23,①原油降解样品的Pr/Ph值由原始的1.062增加为1.156,且随生物降解作用的进行,Pr/nC17和Ph/nC18值均不断增大,大庆原油的∑nC21-/∑nC22+值均发生了不同程度的降低,其中②原油降解样由原始的0.915下降为0.685;大庆原油中萘系列化合物和菲系列化合物含量占到了芳烃化合物含量的80%以上,菲系列化合物的含量达到52.71%,"三芴"系列化合物的含量为11.28%,艹屈系列和联苯系列化合物的含量分别为3.76%和0.59%,其他芳烃化合物的总含量为4.34%;在微生物作用下多环芳烃中支链的甲基很容易被降解。     

两个二次曲面间的二次GC^0及三次GC^1阶光滑混合拼接的代数方法

本文在Ｊ．Ｗａｒｒｅｎ等人的基础上，利用数值代数和算法交换代数知识为工具，分析讨论了两个二次曲面间ＧＣ＾０Ｍ，ＧＣ＾１阶光滑混合拼接的二次我项式及三次多项式的问题。     

L-肉碱对肥胖小鼠脂肪酸代谢的影响

为探讨L-肉碱对肥胖小鼠体内脂肪酸代谢的影响，以高脂饲料诱导雄性小鼠肥胖模型，然后将肥胖小鼠随机分为4组：对照组与3个L-肉碱剂量组（100、200、400mg／kg），小鼠每天游泳1h，持续5周。观察小鼠体脂肪变化；气相色谱与质谱连用测定肝脏脂肪酸组成及含量变化；显微镜下观察肝脏冰冻切片。结果表明：200、400mg／kg剂量组的体重及腹部脂肪、血清甘油三酯、总胆固醇、LDL一胆固醇均低于对照组（P〈0．05），HDL-胆固醇高于对照组（P〈0．05）；冰冻切片中脂肪滴减少；棕榈酸和二十碳三稀酸代谢显著增强（P〈0．01）。得出结论：L-肉碱具有增强肥胖小鼠脂肪酸代谢，特别是中长链脂肪酸代谢，降低血脂的作用。