Qualitative analysis of chemical components in Lianhua Qingwen capsule by HPLC-Q Exactive-Orbitrap-MS coupled with GC-MS

The Lianhua Qingwen(LHQW) capsule is a popular traditional Chinese medicine for the treatment of viral respiratory diseases.In particular,it has been recently prescribed to treat infections caused by the severe acute respiratory syndrome coronavirus 2(SARS-CoV-2).However,due to its complex composition,little attention has been directed toward the analysis of chemical constituents present in the LHQW capsule.This study presents a reliable and comprehensive approach to characterizing the chemical constituents present in LHQW by high-performance liquid chromatography-Q Exactive-Orbitrap mass spectrometry(HPLC-Q Exactive-Orbitrap-MS) coupled with gas chromatography-mass spectrometry(GC-MS).An automated library alignment method with a high mass accuracy(within 5 ppm) was used for the rapid identification of compounds.A total of 104 compounds,consisting of alkaloids,flavonoids,phenols,phenolic acids,phenylpropanoids,quinones,terpenoids,and other phytochemicals,were successfully characterized.In addition,the fragmentation pathways and characteristic fragments of some representative compounds were elucidated.GC-MS analysis was conducted to characterize the volatile compounds present in LHQW.In total,17 compounds were putatively characterized by comparing the acquired data with that from the NIST library.The major constituent was menthol,and all the other compounds were terpenoids.This is the first comprehensive report on the identification of the major chemical constituents present in the LHQW capsule by HPLC-Q Exactive-Orbitrap-MS,coupled with GCMS,and the results of this study can be used for the quality control and standardization of LHQW capsules.

Published the papers of GC-MS analysis—Chemical drug

Song Qi, Liu Hu; Gao Shu. Screening and quantitative analysis of volatile markers in the breath of patients with breast cancer Acta Universitatis Medicinalis Anhui, 2010, 45（01） ：76-79.

Analysis of Volatile Chemical Constituents in Callistemon rigidus Flowers by GC-MS

Volatile components of Callistemon rigidus were analyzed by headspace solid phase microextraction-gas chromatography/mass spectrometry.The results showed that 34 volatile components,including alkenes,esters,alcohols,and a small amount of acids,heterocycles and alkanes,were identified from C.rigidus flowers.The main components were eucalyptol,aspidinol,terpilenol,vanillylacetone,α-phellandrene,4-pyran-4-1,2,3-dihydro-3,5-dihydroxy-6-methyl,pinene,3-methylcatechol,naphthalene,(+)-limonene,7-methylxanthine and (+)-aromadendrene,the contents of which were 35.39%,10.09%,8.86%,4.51%,3.25%,2.81%,2.75%,2.43%,2.29%,1.3%,1.12% and 1.07%,respectively,all of which accounted for 75.69% of the total relative content.Monoterpenoids are the main components of various types of essential oils.This study provides a theoretical basis for the deep processing of this variety.

Chemical Compositions of Volatile Oil from Fruiting Body of Armillaria luteo-virens

The chemical compositions of volatile oil from fruiting body of Armillaria luteo-virens in Qinghai Province were firstly analyzed with GC-MS and its relevant compositions were detected by calculating chromatographic peak area with normalized method. 21 peaks were separated and 13 compositions were identified which were mainly unsaturated fatty acids, taking 97.1% of the total volatile oil.

西藏罗花挥发油GC-MS分析

The chemical constituents of the essential oil from the traditional Tibetan medicine of Incarvillea younghusbandii were analyzed by GC-MS.More than 70 peaks were separated and 39 compounds were identified which accounted for 66.2% of the total essential oil from the whole plants of I.younghusbandii.

藏药材长花党参的GC-MS分析

The chemical constituents of the essential oil from the whole plants of the traditional Tibetan medicine of Codonopsis thalictrifolia Wall.were analyzed by GC-MS.More than 60 peaks were separated and 45 of them were identified by comparing their mass spectra with that of the standards in the database and the literatures.

褐毛垂头菊花精油的GC-MS分析

The chemical constituents of the essential oil from the flowers of traditional Tibetan medicine of Cremanthodium brummeo-pilosum were analyzed by GC-MS.More than 60 peaks were separated and 33 compounds were identified which accounted for 63% of the total essential oil from the flowers of C.brummeo-pilosum.

Chemical Composition and Biological Activities of Essential Oil from the Rhizomes of Iris bulleyana

Iris bulleyana has long been used as a remedy for detoxication and detumescence. Hydrodistillation was used to extract the essential oil from its rhizomes, and 0.23% oil yield was obtained. Using gas chromatography-mass spectrometry （GC- MS） analysis, 31 chemicals including aristolone, cuparene, β-gurjunene, δ-amorphene, α-muurolene, α-cadinol, camphor, γ-elemene, and τ-cadinol were identified. The essential oil exhibited antibacterial activity against Acetobacter calcoacetica, Bacillus subtillis, Clostridium sporogenes, Clostridium perfringens, Escherichia coli, Salmonella typhii, Staphylococcus aureus, and Yersinia enterocolitica. Its antifungal and antioxidant activities were also tested.

Chemical Composition of Essential Oil from Chimonanthus praecox Flower

Objective] To analyze the aroma constituents of essential oils from Chi-monanthus praecox. [Method] Extracted by microwave-assisted hydrodistil ation （MAHD）, aroma constituents of essential oils of Chimonanthus praecox flowers were analyzed by gas chromatography-mass spectrometry （GC-MS）. Normalization method was used to determine the constituents quantitatively. [Result] Total y 27 compounds were identified, accounting for 98.85% of total amounts. The main aroma con-stituents are terpenes, aldehydes, esters, alcohols and hydrocarbons. Main compo-nents with relative percentage over 5% are germacrene D （25.62%）, bornyl acetate （16.71%）, caryophyl ene （10.51%）, cis-α-ocimene （5.18%）, γ-elemene （8.05%）, β-linalool （5.01%）, 1-ethenyl-1-methyl-2,4-bis （1-methylethenyl）-cyclohexane （7.18%） and 2,3,4,4α,5,6-hexahydro-1,4αdimethyl-7-（1-methylethyl）-naphthalene （5.20%）. [Conclu-sion] The study provided a theoretical reference for the development and utilization of Chimonanthus praecox resources.

Effects of Leptocybe invasa Damage on Chemical Components of Eucalyptus

[Objective] The aim was to illustrate the relation between Leptocybe invasa and eucalyptus, so as to provide the basis for scientific control of L. invasa. [Method] The chemical components of eucalyptus were extracted by solid phase micro-extraction （SPME） technique and ethanol extraction method, and detected by gas chromatograph-mass spectrometer. The relative contents of various components were determined by area normalization. [Result] When eucalyptus was damaged by L. invasa, not only some substances disappeared, but also new substances were induced. Among 4 induced volatiles, the content of terpinolene was the highest of 37.66%. Eight new chemical substances were also detected from the ethanol extract of damaged leaves, and the content of 3-phenyl-2-propenyl phenpropionate was the highest of 30.95%.[Conclusion] The damage caused by L. invasa had obvious effect on composition and contents of chemical components of eucalyptus.

Cameroon Green Energy Potentials: Field Survey of Production, Physico-Chemical Analyses of Palm Kernel Oil for Industrial Applications

This paper reports a field survey undertaken to determine the availability of raw material for palm kernel oil commercial production for industrial applications. Both industrial and artisanal wastes from palm kernel oil production were also surveyed as raw material (palm kernel seeds) for green energy production. Results of the field study show that 22% of palm kernel seeds (which represents tons of waste) resulting from palm oil processing plants are dumped while at the artisanal level, 80% of palm kernel seed waste is dumped. Analysis of field study data shows that large amounts of waste palm kernel seeds are available to enable large scale production of palm kernel oil (PKO) for desirable industrial applications in green energy production. The paper also reports on the physical and chemical properties of Cameroon palm kernel oil (PKO). Palm kernel oil was extracted using mechanical press and solvent extraction. The palm kernel oil (PKO) from Cameroon was analyzed by standard physico-chemical methods. Results of the physical measurements show a specific gravity of PKO of 0.92 kg/L, viscosity of 26.03 cSt and at 5.93 cSt at 40°C and 100°C respectively, viscosity index of 185, pour point of 20°C, cloud point of 29°C, flash point of 200°C, aniline point of 105°F, diesel index of 23, cetane number of 27 and ASTM (American Standards for Testing and Materials) color of less than 2.5. Results of chemical analyses showed an acid value of 17.95 mg KOH/g, free fatty acid (FFA) content of 8.98 mg KOH/g, iodine value of 2.10 mg I2/g, peroxide value of 2.10 meq/kg, ester value of 123.0 mg KOH/g, hydroxyl value of 93.4 mg OH/g, saponification value of 140.95 mg KOH/g and a sulfur content of 0.016% w/v, signifying low sulfur content. Gas chromatography-mass spectrometry (GC-MS) showed the palm kernel oil to be predominantly made up of glycerides of various fatty acids with higher proportions of C12 to C16 fatty acid residues. Cameroon PKO therefore has a broad spectrum of industrial applications by virtue of its rich physical and chemical properties.

Chemical Composition and in Vitro Antibacterial Activity of the Leaf Essential Oil of Mentha officinalis from Rwanda

The search for new prototype drugs to combat infection is an absolute necessity and in this regard plant essential oils may offer great potential and hope. In this investigation, the essential oil of the leaves ofMentha officinalis grown in Rwanda was extracted by hydrodistillation method and analyzed by gas chromatography （GC） and gas chromatography coupled with mass spectrometry （GC-MS）. The disc diffusion method was used to evaluate in vitro the zone of bacterial growth inhibition at various concentrations of the oil for five bacterial strains： Escherichia coli, Bacillus aureus, Streptococcus lactis, Staphylococcus aureus and Salmonella typhimurium. The results of this study revealed many components among which the major components were menthol （80.79%）, menthone （4.906%）, isomenthone （3.5%）, piperitone （2.56%）, and methyl acetate （2.2%）. After 7 days of incubation on PCA medium, the growth of Escherichia coli, Bacillus aureus, Streptococcus lactis and Staphylococcus aureus was totally inhibited at an average diameter of 19 mm, 32 mm, 50 mm and 30 mm respectively by a medium concentration of 30 μm/disc ofM. officinalis oil. Quite the reverse, this investigation by a bioassay showed that the essential oil ofM. officinalis has no effect on Salmonella typhimurium. The obtained results in the present study indicate the possibility of exploiting the essential oil ofM. officinalis to combat so many infectious human diseases in Rwanda. However, further investigations are required to make the medical exploitation of this plant successful.

GC-MS analysis of essential oil of <i>Paeonia suffruticosa</i>Andrews from ZhaoFen and RouFurong flowers in China

The flowers of ZhaoFen and RouFurong may contain essential oils with natural aromatic ingredients. In the present work, the chemical compositions of essential oil of Paeonia suffruticosa Andrews from the flowers of ZhaoFen and RouFurong grown only in China were investigated by GC-MS analysis. The results indicate that there are 27 constituents in ZhaoFen and 29 constituents in RouFurong, which account for 96.04% and 95.90% of the oils of ZhaoFen and RouFurong, respectively. The major components of the essential oils are character-rized by oxygenated terpenols, and their content is, respectively, 85.06% and 83.47%. The essential oil of Paeonia suffruticosa Andrews was reported for the first time on the aerial parts.

Advanced Treatment of Biologically Treated Chemical Comprehensive Wastewater by Nano-TiO2 Photocatalytic Oxidation

Nano-TiO2 photocatalytic oxidation was used to perform the advanced treatment of biologically treated chemical comprehensive wastewater. The effects of reaction time,nano-TiO2 dosage and initial p H of the wastewater on the removal rate of COD were tested. The GC/MS and EEM techniques were used to qualitatively analyze organic compounds in the wastewater before and after treatment. The result showed that after the biologically treated chemical comprehensive wastewater was treated by nano-TiO2 photocatalytic oxidation under the conditions of reaction time 3 h,nano-TiO2 dosage 8 g/L,and pH 8. 0,the effluent COD was 61. 9 mg/L and its removal rate was 63. 8%. Additionally,the species of organic pollutants reduced from 12 to 6. Meanwhile,the content of humic-like and fulvic-like substances dropped dramatically.

盐溶液饱和岩土的本构理论及在黏土中的应用

盐溶液中离子的化学活性会改变饱和岩土的力学性质,诱发其工程性能出现劣化甚至失效等岩土工程问题。为了研究化学活性对饱和岩土水力与变形特性的影响,基于混合物理论与热力学溶液理论,建立了盐溶液饱和岩土材料的本构理论框架。与以往研究不同,该理论将固相应变分解为孔隙率变化引起的骨架应变、固相材料变形引起的基质应变以及化学反应等物质交换引起的质量交换应变,用以凸显孔隙率在水-力-化学多场耦合机制中的关键作用;采用溶质的现时质量分数作为化学状态变量来反映化学活性的影响;利用自由能和耗散势分别建立弹性和塑性本构关系。根据该理论框架建立了NaCl溶液饱和黏土的固相、流相本构关系以及溶质的渗流-扩散方程,并得到了已有试验数据的验证,表明该框架可以指导盐溶液饱和岩土的本构建模工作。

三仁汤加减联合艾瑞昔布治疗急性痛风性关节炎临床观察

目的观察三仁汤加减联合艾瑞昔布治疗急性痛风性关节炎(湿热痹阻证)临床疗效及对实验室指标的影响。方法将80例患者分为对照组与观察组各40例。对照组患者在常规治疗基础上给予艾瑞昔布片治疗,观察组在对照组治疗基础上联合三仁汤加减方治疗,均连续治疗7 d。观察两组患者治疗前后主要症状体征积分、湿热体质积分、血尿酸(UA)、血沉(ESR)、C反应蛋白(CRP)、肿瘤坏死因子-α(TNF-α)、白细胞介素6(IL-6)、白细胞介素-1β(IL-1β)水平变化,比较两组治疗后临床疗效、湿热体质改善疗效,并评价两组治疗安全性情况。结果两组治疗后关节急性红肿、关节压痛、关节疼痛及关节活动障碍度评分均降低(P<0.05),且观察组治疗后以上症状体征积分均低于对照组(P<0.05);两组治疗后身重困倦、口苦口干、心烦懈怠、大便黏滞或燥结、小便短赤积分均降低(P<0.05),且观察组均低于对照组(P<0.05);两组治疗后UA、ESR、CRP、TNF-α、IL-6、IL-1β水平均降低(P<0.05),且观察组均低于对照组(P<0.05);观察组总有效率为92.50%,明显高于对照组的75.00%(P<0.05);观察组湿热体质改善总有效率90.00%,明显高于对照组72.50%(P<0.05);两组治疗期间均未出现明显与用药相关的不良反应。结论三仁汤加减联合艾瑞昔布治疗急性痛风性关节炎(湿热痹阻证)疗效显著,能够有效缓解患者临床症状,改善湿热体质,调节理化检查指标水平,且毒副作用小,可为痛风性关节炎急性发作的中西医治疗提供新的思路。

考虑水化学损伤的岩石真三轴蠕变本构模型

为了准确描述岩石在酸性环境下真三轴蠕变行为的各阶段特征,基于水岩作用的化学动力学理论,定义了考虑PH值与时间的化学损伤因子,将弹性体,非线性Kelvin体,线性Kelvin体和黏弹塑性体进行串联,并考虑岩石在真三轴应力作用下的实际情况,建立岩石酸腐与真三轴应力耦合作用下的损伤蠕变本构模型,通过已有的蠕变试验数据对该模型进行参数辨识与验证,并通过数据拟合得到岩石在真三轴应力下的屈服面方程,探讨中间主应力对蠕变模型的影响.结果表明,推导的本构模型能很好地描述岩石在酸腐作用下真三轴蠕变行为的各阶段特性,验证了其合理性与准确性.

三棱、醋三棱化学模式识别

目的对三棱、醋三棱进行化学模式识别分析。方法UPLC-MS法测定对羟基苯甲酸、对羟基苯甲醛、山柰酚、芦丁、咖啡酸、阿魏酸、对香豆酸、原儿茶酸、香草醛、香草酸、芒柄花素的含量,分析采用Hypersil GOLD色谱柱(100 mm×2.1 mm,1.9μm);流动相0.1%甲酸-乙腈,梯度洗脱;体积流量0.30 mL/min;柱温30℃;电喷雾离子源;负离子检测;多反应监测模式。再通过层次聚类分析、差异性分析、主成分分析、正交偏最小二乘法-判别分析寻找醋炙前后差异性成分。结果三棱、醋三棱聚为2类。差异成分为原儿茶酸、阿魏酸,醋炙后两者含量升高(P<0.01)。结论三棱、醋三棱化学成分存在差异,原儿茶酸、阿魏酸可作为三棱醋炙前后质量评价的关键性指标。

水土化学力学效应研究现状与展望

水溶液在入渗土体过程中会发生水土化学作用,进而影响土体力学性质,该作用在土质滑坡孕育阶段扮演重要角色,是诱发滑坡形成的关键因素。本文研究系统性地总结和梳理了水土化学作用对土体力学性质、微观结构影响,以及土体强度变化机理与力学模型等方面的研究现状。在近50年的研究历程中,水土化学作用力学效应研究不断深入,从力学性质影响规律的定性描述到初步建立水土化学力学效应模型,从细微观结构变化的唯象认识到土体强度变化机理性研究,但由于土体物质组成复杂,影响因素较多,现有研究成果还不足以指导土质滑坡的预报和防治工作。为进一步有效指导土质滑坡预报、预警和防治工作,根据现阶段研究状况,提出有必要就土体抗剪强度本构模型、水土化学作用下非饱和土体黏聚力变化定量模型、水土化学作用机理应用等深层次问题,持续展开深入细致的研究。

防腐材料的制备及性能研究

金属腐蚀极大地缩短了船舶等海洋设施的使用寿命,浪费大量的人力、财力。开发性能优异的防腐材料,以延长海洋设施的使用寿命。设计鳞片玻璃的组成,并对不同组成配方玻璃进行熔制和玻璃鳞片样品制备,对样品进行XRD、SEM、EDS等性能分析,得出适合的制备组成和工艺参数。