Soil Carbon Pool Management Index under Different Straw Retention Regimes

[Objective] To clarify the effects of different straw retention regimes on soil fertility in double cropping paddy field. [Method] The effects of different straw reten- tion regimes on total organic carbon （CToc）, active carbon （CA） and mineralized carbon （CM） were analyzed, and carbon pool active （A）, carbon pool active index （A/）, carbon pool index （CPI） and carbon pool management index （CPMi） for each treat- ment were calculated. [Result] Compared with the unfertilized treatment （CK）, CToc, CA, CM and the available ratio of soil carbon were increased in the treatment of re- turning early season and late season rice straws to field. With the same nutrient application, CToc, CA and the available ratio of soil carbon in the field with straw re- turned to field were higher than that of straw incineration and no straw returning, and the change in soil CA content was more significant. The difference in CPMI be- tween different treatments reached significant or very significant level, and the value was in the order of straw directly returned to field 〉 straw returned to field after in- cineration 〉 no straw returned to field. [Conclusion] This study provided theoretical bases for the increase of soil CA content and soil fertility in double rice fields.

Assessment of Retention Ponds and Its Impacts on Health of Residents in Mogadishu, Somalia: Mixed Methods

The purpose of this study was to evaluate the effects of retention ponds on the environment and population health by analyzing water samples from various ponds in Mogadishu, to determine the prevalence of waterborne illnesses that occur during the rainy season in Mogadishu, and to find out what experts thought about the effects of retention ponds on the environment as well as population health in Mogadishu. Methods: Mixed designs were used in the study. The first design is an exploratory study where samples are taken from different retention ponds in Mogadishu. The second design involves gathering secondary data from the online FSNAU Dashboard regarding the incidence of rainfall and waterborne illnesses including malaria and cholera. Additionally, a cross-sectional survey of expert opinions using questionnaires was the third design. The 10 water samples were taken from retention ponds in Mogadishu as part of the sample size. Data on the fourth month was also gathered using the FNSAU dashboard, and seventy sample sizes were used for the expert self-administered questionnaire for the third design. Excel was used for data analysis in the initial design. While BMI SPSS versions 22 were used to analyze the data from the Self-administered Questionnaire, additional methods were utilized to compute descriptive statistics, such as mean and standard deviation, and to analyze demographic data in a frequency table. Findings: The results show that three samples had unsatisfactory scores (Grade D): Yaqshid (Warshadda Bastada) had a WQI of 80.85, Boondheer (Bondher Pond) had a WQI of 80.64, and Wartanabad (Xamar Jadiid Pond) had a WQI of 80.89. The remaining samples were all rated as fair (grade), which indicates that they ranged from 50 to 75. The months with the largest rainfall already occurred in December, November, and October, when the prevalence of diseases during the rainy season was highest for cholera cases. Although October and December saw a significant number of malaria cases, November did not. Retention ponds’ overall effects on residential environments were evaluated, and the results showed that the standard deviation was 0.802 and the cumulative average mean scores were 4.41 overall. This indicates that the respondents were in agreement that retention ponds in Mogadishu, Somalia, had an effect on residential areas. Recommendation: The study suggested that in order to identify retention pond contamination and create treatment units for its management, the Ministry of Health forms a district-level public health committee. All districts must have a sewer system installed by the local government, and retention ponds must be made easier in order to move waste outside of the city.

A QSRR Study on the Chromatographic Retention Indices of Hydroxylated Polychlorinated Biphenyls

Hydroxylated Polychlorinated Biphenyls （HO-PCBs） are the metabolite of polychlorinated biphenyls and have drawn much attention because they have hazard on human health and ecosystems. Molecular connectivity index calculation has been performed for 19 HO-PCB compounds. A number of statistically based parameters have been extracted. Linear relationship between chromatographic retention index （RI） and the molecular connectivity index of 15 compounds in the training set has been established by multiple linear regression method. The other 4 HO-PCBs are used as the external test set. The result shows that the parameters can be well used to express the quantitative structure-retention relationship （QSRR） of HO-PCBs. Good stability and predictive ability have been demonstrated by leave-one-out cross-validation and the external test set.

Study of Quantitative Structure-retention Relationship for Substituted Phenols

Quantum chemistry parameters of 20 substituted phenols were computed at the 6- 31G＊ level using DFT method. Based on theoretical linear solvation energy theory, the correlation equation that can predict the retention index （Ri） was developed using structural parameters of 15 substituted phenols with experimental data as theoretical descriptors, and the conventional correlation coefficient （R^2） is 0.9885. The correlation degree of each independent variable in the model was validated by variance inflation factors （VIF） and t-test. Cross-validation indicates that the model possesses high predicting ability. The correlation and predicting ability of the Ri equation are both more advantageous than those based on orientating group index, connectivity index, and topological index method. In addition, RI values of 5 compounds without experimental data were predicted with the model.

Inverse Gas Chromatography Used to Study Lubricating Oil Oxidation Mechanism via Changes in Kovats and Flory-Huggins Retention Parameters

Inverse gas chromatographic technique(IGC) was attempted as a new approach to follow the chem-ical changes that occur during lubricating base oil oxidation.Three groups of the oxidized base oils were pre-pared at different oxygen flow rates,periods and temperatures according to IP48method.The corrected reten-tion volumes(VR) were calculated for a series of selected test solutes possessing different functional groups onthe oxidized base oils used as stationary phases.Kovats retention index(I),Flory-Huggins interaction parame-ter(κ1∞,2),and partial molar free energy of solution(ΔGL∞),were calculated for the given test solutes fromtheirVR.The relationships between theIvalues and the oxidation variables were plotted and discussed.Theobtained results were confirmed by potentiometric titration.The study reveals that the magnitudes of variationofI,κ1∞,2orΔG∞Lretention parameters depend on the oxidation degree of the base oil.Large differences be-tween theIvalues permit discrimination between the different oxidation steps.Key words: inverse gas chromatography(IGC);oxidation;lubricating base oil;Kovats retention

Quantitative Structure-retention Relationship Study of Volatile Components from Rosa Banksiae Ait

In the present study,（QSRR） study had been carried out for volatile components from Rosa banksiae Ait.based on various quantum-chemical and physicochemical descriptors derived by B3LYP method.To build QSRR models,a multiple linear regression （MLR） stepwise method was used.The generated models have good predictive ability and are of high statistical significance with good correlation coefficients （R2≥0.734） and p values far less than 0.05.Preliminary results indicated that the application of the models,especially the prediction of GC retention time and linear retention index of volatile components from Rosa banksiae Ait.,will be helpful.The models contribute also to the identification of important quantum-chemical and physicochemical descriptors responsible for the retention time and linear retention index.It was found that the shape attribute （ShpA） and logP value play a vital role in determining component’s GC retention time and linear retention index which increase with the lipophilicity of volatile components.The larger the shape attribute of analyte is,the larger the deformability is,the stronger the interaction between analyte and stationary phase is,and the longer the GC retention time is,the larger the linear retention index is.The importance of E HOMO,q＋,and SEV is also embodied in models,but they are not dominant.

Estimation and Prediction of Gas Chromatography Retention Indices of Hydrocarbons in Straight-run Gasoline by Using Artificial Neural Network and Structural Coding Method

The molecular structures of hydrocarbons in straight run gasoline were numerically coded. The nonlinear quantitative relationship(QSRR) between gas chromatography(GC) retention indices of the hydrocarbons and their molecular structures were established by using an error back propagation(BP) algorithm. The GC retention indices of 150 hydrocarbons were then predicted by removing 15 compounds(as a test set) and using the 135 remained molecules as a calibration set. Through this procedure, all the compounds in the whole data set were then predicted in groups of 15 compounds. The results obtained by BP with the correlation coefficient and the standard deviation 0 993 4 and 16 54, are satisfied.

价键原子指数用于酱香型习酒香气成分保留性质研究

酱香型习酒是一种风味极其独特的酱香型白酒,具有风味醇厚、幽雅细腻和回味悠长的香气,香气成分繁多而复杂.为探究酱香型白酒的主要挥发性物质的组成及香气风味成分的差异,研究建构酱香型习酒香气成分保留指数的定量结构-保留相关性模型,根据酱香型习酒香气成分分子中原子的空间与电性结构,基于拓扑理论,提出了一种新的结构参数-价键原子指数~mA.另计算了酱香型习酒香气成分的电拓扑状态指数(Em),优化筛选了指数中的~0A、E_(1)、E_(2)、E_(14),将4种结构参数作为神经网络三层结构的输入节点数,色谱保留指数作为三层结构的输出节点数,网络结构采用4-12-1方式.建立的预测香气成分保留指数模型的相关系数达到0.9965,计算得到的酱香型习酒香气成分保留指数RI预测值的平均相对误差为1.41%.结果表明,酱香型习酒挥发性香气成分的保留指数,与价键原子指数和电拓扑状态指数之间具有很好的非线性关系,非氢原子结构及—CH_(3)、>CH_(2)、—O—等基团,是影响酱香型习酒香气成分保留指数的主要因素.

基于N-酰基甘氨酸保留指数系统的代谢物色谱峰对齐方法

色谱峰对齐(peak alignment)是非靶向代谢组学分析中常用的数据处理步骤。色谱峰对齐的目的是整合多批次液相色谱-质谱(LC-MS)分析得到的代谢物数据,从而确保数据的可比性与可靠性。然而,微小的色谱分离条件变化会导致连续分析之间的色谱保留时间(retention time,RT)漂移,进而影响色谱峰对齐的准确性。本文提出了一种基于保留指数系统的色谱峰漂移校正策略(retention index-based chromatographic peak-shift correction,RI-based CPSC),应用于代谢物的保留时间漂移校正和色谱峰对齐。为此,我们合成了一系列N-酰基甘氨酸(C2~C23)同系物作为校正物,建立了一套液相色谱保留指数系统。该保留指数系统能够有效修正由流速、洗脱梯度、仪器系统和色谱柱变化所引起的色谱保留时间漂移。利用保留指数系统,我们构建了基于Python的程序(https://github.com/WHU-Fenglab/RI-based-CPSC)来调整原始数据的保留时间,以修正系统的保留时间偏移,随后,应用Joint Aligner算法进行色谱峰对齐。以人粪便样作为测试样,评估了RI-based CPSC策略的色谱峰对齐准确性。以一份时间跨度为157天的长期数据为例,RI-based CPSC策略的应用可以将色谱峰对齐率从15.5%显著提高至80.9%,说明RI-based CPSC策略能够显著提高多批次LC-MS分析的色谱峰对齐准确性。

双酶辅助水蒸气蒸馏法提取肉豆蔻精油及其GC-MS成分分析

采用双酶辅助水蒸气蒸馏法提取广西产肉豆蔻的精油,并通过GC-MS对其进行成分分析。正交实验结果表明,最优提取工艺条件为加酶量2%、酶解pH 4.0、酶解温度40℃,在此条件下,肉豆蔻精油的得率为6.50 mL/100 g。利用GC-MS和保留指数法从精油中鉴定出56种化合物,占精油总量的99.71%,主要成分为肉豆蔻醚(16.60%)、甲基丁香酚(14.78%)、桧烯(13.47%)、(+)-柠檬烯(7.29%)、4-萜烯醇(6.75%)、榄香素(6.62%)、γ-松油烯(4.28%)、反式-甲基异丁香酚(3.73%)、β-蒎烯(3.59%)和黄樟素(3.22%)。

留叶数和留叶方式对烤烟新品种湘烟7号烟叶产量和质量的影响

为明确烤烟新品种湘烟7号在贵州黔南烟区的适宜留叶数与留叶方式,以湘烟7号为试验材料,共设置6个留叶处理,进行不同留叶数与留叶方式对湘烟7号烟叶产量和质量影响的研究,并采用模糊综合评价法对烟叶质量进行综合评价,明确最佳留叶数与留叶方式。结果表明:留叶18片、去除10片底脚叶和留叶20片、去除10片底脚叶,烤烟的经济性状表现较好,A2B3处理的产量为2 807.81 kg·hm^(-2),A1B3处理的产值为92 112元·hm^(-2);外观质量与物理特性方面,留叶20片略优于留叶18片,中部叶A2B3、A2B1处理的AQI指数较高,分别为8.25、7.85,上部叶A1B2处理的AQI指数较高,为7.85;中部叶A2B1处理、上部叶A2B2处理的PPI指数较高,分别为91.40、82.64;化学特性方面,中部叶A1B3处理、上部叶A2B1处理的CCUI指数为81.69、82.60,显著高于其他处理;感官特性方面,A1B3处理表现较好,感官质量指数SQI为70.35。综合4个评价指标,各处理的CEI指数排序为A1B3>A2B1>A1B2>A2B2>A2B3>A1B1。综上,笔者认为贵州黔南烟区湘烟7号最佳留叶数与留叶方式为留叶18片、去除10片底脚叶。

植物精油成分气相色谱保留指数的全息定量构效关系

气相色谱保留指数(RI)是色谱分析中的重要参数,但通过实验获取RI值的过程较为繁琐,需要建立一种简便、高效、准确的模型来预测RI值。本文搜集了60种植物精油成分的RI实验值,构建了精油成分化合物的结构性质与RI值之间的全息定量构效关系(HQSAR)模型。当碎片大小(fragment size)、碎片特征(fragment distinction)和全息长度(hologram length)模型参数分别设置为“1~4”、“C,Ch”和199时,可以建立最优HQSAR模型。利用外部测试集验证和留一交叉验证对模型进行检验,经外部测试集验证的预测均方根误差(RMSEP)、预测决定系数(Q_(F3)^(2))、一致性相关系数(CCC)和平均相对误差(MRE)分别为40.45、0.984、0.968和2.20%;经留一交叉验证的交叉验证均方根误差(RMSECV)和MRE分别为72.56和4.17%。此外,HQSAR模型的分子贡献图表明,芳香族化合物的烷基链在连接了羟基基团后,其RI值会增大;脂肪族化合物中存在的长链烷基也会导致RI值增大。研究结果表明,所建立的HQSAR模型能够用于预测植物精油成分的RI值,并为其他精油成分RI值的预测提供可靠依据。

经尿道前列腺癌等离子电切术治疗晚期前列腺癌尿潴留的临床研究

目的:观察经尿道前列腺癌等离子电切术(TuPkR-PCa)对晚期前列腺癌伴尿潴留(APCa-UR)患者排尿症状的改善效果。方法:回顾性分析2016年6月—2020年5月宿迁市钟吾医院和徐州市中心医院就诊的51例APCa-UR患者临床资料。根据治疗方式不同,将患者分为两组。非手术组(34例):留置尿管,同时予醋酸阿比特龙及戈舍瑞林内分泌治疗,每4周试拔除尿管,若不能自行排尿或残余尿仍大于70 mL,则再次留置尿管,直至可自行排尿及残余尿小于70 mL。手术组(17例):采用TuPkR-PCa切除部分前列腺组织,术后1周拔除尿管,并同时辅以阿比特龙及戈舍瑞林内分泌治疗。随访比较两组肿瘤指标、国际前列腺症状评分表(IPSS)及手术组术前术后排尿情况等数据。结果:两组患者基线资料比较,差异无统计学意义(χ^(2)=0.362、0.012、0,P>0.05);治疗前1周两组患者IPSS评分、前列腺特异性抗原(PSA)、前列腺体积等比较,差异无统计学意义(t=-0.120、0.870、-0.510、-0.620,P>0.05);治疗后3个月,TuPkR-PCa较内分泌治疗对改善APCa-UR症状效果明显,差异有统计学意义(t=9.070,P<0.05)。结论:在晚期前列腺癌伴尿潴留患者的治疗中,TuPkR-PCa可以在不改变肿瘤学特性的情况下,有效改善前列腺癌伴尿潴留患者生活质量。

基于GC-MS的保留指数分析黑胡椒精油挥发性成分

为分析海南产黑胡椒精油中的挥发性成分,为公众进一步开发利用黑胡椒提供科学依据,采用水蒸气蒸馏法制备了黑胡椒精油,并基于气相色谱-质谱联用技术结合保留指数对精油成分进行了定性分析。从黑胡椒精油中鉴定出了27种主要的挥发性成分,含量较高的组分为β-石竹烯(23.91%)、柠檬烯(17.23%)、3-蒈烯(19.30%)、β-蒎烯(7.83%)和石竹烯氧化物(3.01%)。对δ-杜松烯、柠檬烯、顺式香桧醇(cis-sabinol)、cyclohexene, 3-methyl-6-(1-methylethylidene)-(萜品油烯)、cyclohexene, 1-methyl-4-(1-methylethylidene)-(萜品油烯)、对伞花烃(P-cymene)进行鉴定,使精油的定性结果更准确、可靠。

真武汤加减对液体复苏后“痰饮症”患者中心静脉压、氧合指数以及下腔静脉呼吸变异指数的影响

目的:探讨加减真武汤对液体复苏后“痰饮症”患者中心静脉压、氧合指数以及下腔静脉呼吸变异指数的影响。方法:将104例完成液体复苏后的液体过负荷的感染性休克患者随机分为两组,对照组52例,给予常规西医脱水治疗;研究组52例,在对照组基础上给予真武汤加减治疗。比较两组患者治疗前后的临床疗效、中医证候积分、中心静脉压(CVP)、氧合指数(OI)以及下腔静脉呼吸变异指数(RVI)的变化。结果:研究组总有效率92.31%高于对照组73.07%(P<0.05);治疗后中医症候积分较治疗前均有所下降,且研究组低于对照组,差异有统计学意义(均P<0.05);脱水治疗后,研究组和对照组CVP在1、7、14 d逐渐降低,差异有统计学意义(均P<0.05);两组患者在不同时间段OI不断升高,且研究组高于对照组,差异有统计学意义(均P<0.05);RVI在不同时间段逐渐降低,且研究组低于对照组,差异有统计学意义(均P<0.05)。结论:真武汤加减能有效改善液体复苏后“痰饮症”患者的临床症状,降低中心静脉压,提高氧合指数,降低呼吸变异指数。

GC-MS结合自动解卷积技术分析谷壳中挥发性风味成分

为了探索酱香型白酒酿造用辅料谷壳中挥发性风味成分的组成,建立了顶空固相微萃取(HS-SPME)-气相色谱-质谱联用(GC-MS)结合自动解卷积系统(AMDIS)和保留指数(RI)对谷壳中的化学成分进行鉴定分析的方法,并采用正交试验优化HS-SPME参数条件。结果表明,最佳的萃取条件为样品质量10 g,萃取温度60℃,萃取时间50 min。谷壳中共鉴定出挥发性物质173种,其中醇类17种(10.06%)、醛类23种(15.28%)、酸类11种(40.26%)、酯类6种(2.00%)、酮类21种(4.22%)、呋喃类7种(1.34%)、呋喃酮类1种(0.15%)、吡嗪类3种(0.14%)、内酯类6种(1.95%)、芳香族44种(11.44%)、烃类21种(4.43%)、杂环类7种(1.15%)、含硫化合物1种(0.04%)、萜烯类5种(7.54%)。

Longitudinal changes in body weight of breastfeeding mothers in the first year after delivery and its relationship with human milk composition:a combined longitudinal and cross-sectional cohort study

Objective:Postpartum weight retention(PPWR)is a common problem among women after childbirth.The main objectives of this study are to understand the changes in body weight of breastfeeding mothers during long-term follow-up and preliminarily explore the relationship between maternal body weight and human milk composition,including macronutrients,leptin,and adiponectin.Methods:The study included a longitudinal cohort(122 mothers),and a cross-sectional cohort(37 mothers).The human milk,maternal weight,and dietary surveys were collected in the longitudinal cohort at different follow-up time points(1-14 days postpartum,2-4 months postpartum,5-7 months postpartum,and 12-17 months postpartum).The maternal body weight was analyzed using the responses in the survey questionnaires.A milk analyzer based on the mid-infrared spectroscopy(MIRS)was used to determine milk composition,and nutrition analysis software evaluated dietary intakes.In the cross-sectional cohort,participating mothers were asked to provide blood and human milk samples and pertinent information related to maternal body composition.Maternal body composition was measured by bioelectrical impedance analysis(BIA),while ELISA analyzed leptin and adiponectin in milk and serum.Results:At 5-7 months postpartum,the PPWR of breastfeeding mothers was(2.46±3.59)kg.At 12-17 months postpartum,the PPWR was(0.98±4.06)kg.PPWR was found to be negatively correlated with milk fat content within 14 days postpartum and positively correlated at 2-4 months postpartum.In addition,the maternal weight and body muscle mass were positively correlated with leptin and adiponectin in milk.Plasma leptin was positively correlated with the mother’s body weight,body mass index(BMI),FAT percentage,and body fat mass,while plasma adiponectin did not correlate with any parameter.The results also indicate that the PPWR did not correlate with leptin and adiponectin in plasma or milk.Conclusions:Breastfeeding mothers may retain considerable weight gain one year after delivery.Human milk composition may be related to changes in maternal body weight.Leptin and adiponectin in breast milk and leptin in plasma are associated with the maternal body composition.This study supports the notion that maternal nutritional status may affect offspring health through lactation,and future research should focus on exploring weight management of postpartum mothers.

气相色谱-串联质谱法测定化妆品中15种防腐剂类过敏原物质

防腐剂成分大多具有刺激性,容易造成皮肤过敏,国内外对其在化妆品中的使用有明确的禁、限量规定。研究通过气相色谱-串联质谱(GC-MS/MS)同时测定化妆品中15种防腐剂类过敏原物质的含量,建立了基于“两柱保留指数、一个质谱匹配度”的精确鉴定方法,通过外标法定量。样品经过乙腈涡旋超声提取,无水硫酸镁除水后,分别采用DB-5MS和DB-WAX色谱柱分离检测,以电子轰击离子(EI)源为离子源,通过多反应监测模式(MRM)采集数据信息,使用保留指数对15种防腐剂类过敏原物质进行定性。经两次检测,15种防腐剂类过敏原物质在DB-5MS色谱柱上方法的检出限为0.02~0.2 mg/kg,12种防腐剂类过敏原物质在DB-WAX色谱柱上方法的检出限为0.01~20 mg/kg。防腐剂类过敏原物质在DB-5MS和DB-WAX色谱柱上均在一定范围内线性关系良好,相关系数均大于0.99。以水、乳、面膜、膏霜为代表基质,在低、中、高3个加标水平下,15种防腐剂过敏原物质在DB-5MS和DB-WAX色谱柱上的回收率在70.1%~129.8%范围内,相对标准偏差(RSD)均小于15%(n=6)。采用建立的方法对80批实际样品进行检测,在DB-5MS和DB-WAX色谱柱条件下,有两批样品中均检测出禁用防腐剂4-羟基苯甲酸异丙酯;DB-5MS色谱柱条件下,有11种限用防腐剂被检出,DB-WAX色谱柱条件下,10种限用防腐剂被检出。检测结果表明:该方法使用双柱系统,准确性高,能有效避免假阳性和假阴性的检测结果,可用于化妆品中15种防腐剂类过敏原物质的检测,使用保留指数对15种防腐剂类过敏原物质进行定性,为非定向筛查提供了思路,满足监管需求。

温阳化饮方联合布地奈德雾化吸入治疗儿童支气管哮喘的临床研究

目的:探讨温阳化饮方联合布地奈德雾化吸入治疗儿童支气管哮喘的临床疗效及对患儿肺功能的影响。方法:选取2021年7月~2023年7月期间某院诊治的80例支气管哮喘患儿作为研究对象,采用随机数字表法分为对照组和观察组,每组40例。两组患儿均给予平喘、吸氧、化痰、抗感染等常规治疗,对照组患儿给予吸入用布地奈德混悬液雾化吸入,观察组患儿在对照组治疗基础上给予温阳化饮方治疗,两组均治疗7天。比较两组患儿中医证候积分、肺功能指标[用力肺活量(FVC)、呼气流量峰值(PEF)、第1秒用力呼气容积(FEV_(1))]、临床症状消失时间、临床疗效以及不良反应。结果:治疗后,两组患儿各项中医证候积分均降低(P<0.05),且观察组低于对照组(P<0.05);FEV_(1)、FVC、PEF均升高(P<0.05),且观察组高于对照组(P<0.05)。观察组患儿气急、咳嗽咳痰、哮鸣音、胸闷症状消失时间均短于对照组(P<0.05);观察组患儿临床治疗总有效率(97.50%)高于对照组(85.00%,P<0.05)。两组患儿不良反应总发生率比较无统计学差异(P>0.05)。结论:温阳化饮方联合布地奈德雾化吸入治疗儿童支气管哮喘临床疗效良好,可有效缓解患儿临床症状,降低中医证候积分,改善患儿肺功能,且不会增加不良反应的发生风险。

基于联产工艺的橙皮精油气相色谱-质谱指纹图谱的构建及成分分析

目的构建果胶精油联产工艺获得的橙皮精油的指纹图谱,并进行成分分析。方法通过气相色谱-质谱法采集20批次橙皮精油样品的总离子流图(total ions current,TIC),运用“中药色谱指纹图谱相似度评价系统(2012版)”寻找共有峰并建立对照指纹图谱,采用美国国家标准与技术研究院(National Institute of Standards and Technology,NIST)谱库检索结合保留指数技术对共有峰进行成分鉴定,运用SPSS 29.0软件对共有峰进行主成分分析。结果指纹图谱的精密度、重复性和稳定性等方法学考察符合要求,所有样品TIC图相似度均大于0.998,提炼出9个共有峰,经过质谱鉴定,在共有峰中,D-柠檬烯相对含量最高,占82.77%,其次为月桂烯、烩烯、右旋α-蒎烯等,依次占比8.79%、3.62%、3.27%;经主成分分析,前两个主成分因子的累积方差贡献率为67.4%,微量成分烩烯和3-蒈烯对主成分因子的贡献最大。结论对由果胶精油联产工艺获得的橙皮精油建立了气相色谱-质谱指纹图谱,探明其共性化合物成分及影响力,为其质量控制提供了科学依据。