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ObjectiveTo study the composition of volatile oil in Opisthopappus taihangensis （Taihangju）， and provide a reference for comprehensive development of this medicine. MethodTaking Chrysanthemum morifolium （Xiaobaiju）， C. morifolium （Xiaohuangju） and C. indicum （Yejuhua） as control， the qualitative and quantitative analysis of volatile oil in Taihangju and three control varieties were completed by gas chromatography-mass spectrometry （GC-MS） combined with retention index method. The GC conditions were as following：programmed temperature （initial temperature at 60 ℃， kept for 2 min； up to 120 ℃ with the heating rate of 5 ℃·min-1， still kept for 2 min； up to 180 ℃ with the heating rate of 2 ℃·min-1， kept for 3 min； and then up to 240 ℃ with the heating rate of 8 ℃·min-1， kept for 5 min； finally up to 280 ℃ with the heating rate of 10 ℃·min-1， kept it for 5 min and finished）， high-purity helium as the carrier gas， the split ratio of 50∶1. MS conditions were as follows：electron impact ion source （EI）， ion source temperature of 230 ℃， electron collision energy of 70 eV and scanning range of m/z 30-445. Principal component analysis （PCA） and orthogonal partial least squares-discriminant analysis （OPLS-DA） were used to obtain the characteristic components between Taihangju and the three control varieties. ResultA total of 86， 96， 112 and 109 compounds including 73 common components were identified in Taihangju， Xiaobaiju， Xiaohuangju and Yejuhua， respectively. The contents of volatile components in Taihangju were significantly different from that of the control varieties. In which， the relative contents of α-thujone， eucalyptol and terpinen-4-ol were high in Taihangju， and eucalyptol， camphor and α-terpinyl acetate were the main compositions in the control varieties. In addition， 11 compounds were screened as characteristic components to distinguish Taihangju and the three control varieties by PCA and OPLS-DA， including main differential components of chamazulene and δ-cadinene. ConclusionThe main components of volatile oil in Taihangju includes alcohols， terpenes， ketones and esters with high medicinal value. The accuracy of qualitative analysis of volatile oil is improved by GC-MS combined with retention index method， which provides scientific reference for development and utilization of Taihangju.
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Background: To evaluate the usefulness of preoperative imaging with F-18 fluorodeoxyglucose positron emission tomography (FDG-PET) for noninvasive risk assessment of gastrointestinal stromal tumor (GIST). Materials and Methods: A retrospective review including 32 patients with pathologically proven GIST. Preoperative FDG-PET scan results including maximum standardized uptake values (SUVs) of the GISTs at 1 h postinjection (SUV1) were available for all tumors and SUVs at 2 h postinjection (SUV2) were available for 22 tumors. When both SUV1 and SUV2 were available, a retention index (RI, %) was calculated, and the correlation of these PET parameters with the histopathologic results was analyzed. Results: SUV1 was significantly higher in tumors in the high-risk group (6.0 ± 2.7) compared to those in the low risk (3.0 ± 1.6) or very low-risk (2.7 ± 1.2) groups (P = 0.009 and 0.011, respectively). At a cutoff of 5.2, the SUV1 demonstrated sensitivity of 80% and a specificity of 89% for predicting high-risk GISTs. Tumor size was significantly correlated with SUV1 (r = 0.68, P < 0.001) and SUV2 (r = 0.66, P = 0.001), and SUV1, SUV2, and RI were significantly higher in tumors with mitotic index > 5/50 high-power field than in those with lower mitotic index. RI was significantly higher in tumors with C-kit mutation than in those with no C-kit mutation. Conclusion: SUV1 measured during preoperative FDG-PET imaging correlated well with malignant potential of GISTs, especially for high-risk versus Low-/very-low-risk tumors. RI values correlated well with mitotic counts and C-kit mutation, suggesting that this mutation may have some influence on tumor metabolism
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The pesticide residues in traditional Chinese herbal medicines have seriously affected its safety of quality and international reputation, and have been widely concerned by the public and regulatory authorities. With the increasing demand for high-quality green Chinese medicine products, the frequency of quantitative determination of pesticide residues in traditional Chinese medicine products by the regulatory authorities will also increase significantly. It is imperative to establish a series of quantitative methods for pesticide residue analysis that are fast, simple, high-throughput, and low-cost. This paper mainly summarized the research status of pesticide residues analysis in Chinese herbal medicines, summarized the difficulties encountered in the analysis of pesticide residues in Chinese herbal medicines, and introduced the advantages of the retention index principle applied to the analysis of pesticide residues in Chinese herbal medicines. This paper highlights the research progress of retention index principle combined with the Smart Database-Pesticides database applied to three exemplary examples, including: the quantitative determination of 12 pyrethroid pesticide compounds in Anisi Stellati Fructus, the quantitative determination of 74 pesticide compounds in Chuanxiong Rhizoma, and quantitative determination of 130 pesticide compounds in Panacis Quinquefolii Radix. The purpose of this paper is to make retention index principle more popular in the rapid analysis of pesticide residues in traditional Chinese herbal medicines.
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Objective: To analyze the difference between the volatile components of Lepidium salivum and its seeds. Methods: Gas chromatography-mass spectrometry (GLME) was performed for sample pretreatment, and gas chromatography-mass spectrometry (GC-MS) combined with retention index were used to determine the kinds and relative content of volatile components in the whole grass and seeds of L. salivum. Results: The results obtained were as follows: a total of 90 and 92 peaks were detected in whole plant and in seeds, respectively. Among them, 84 and 71 kinds of volatile components were successfully identified. However, there were differences in the types and relative content of the volatile components between the whole plant and the seeds. The main components in the whole plant were neophytadiene (15.39%), benzyl isothiocyanate (14.03%), 2-methoxy-4-vinylphenol (9.01%), 1,2-epoxyoctadecane (6.24%), benzaldehyde (5.60%), lignoceric alcohol (3.43%), stearyl aldehyde (2.37%) and benzyl nitrile (2.12%). While the major components in seed were benzyl nitrile (49.6%), benzyl isothiocyanate (10.51%), 2-(3,4-dimethylphenoxy) acetic acid (9.73%), benzoic acid, 2-(dimethylamino)ethyl ester (4.66%), benzaldehyde (3.63%), benzeneacetamide (3.18%), furfural (1.73%), and benzeneacetic acid (1.26%). As much as 24 kinds of volatile components were identified in both the whole plant and seed, such as benzyl nitrile, benzyl isothiocyanate, benzaldehyde, furfural and 2-methoxy-4-vinylphenol. Conclusion: This experiment provides essential data for further research on the role of volatile ingredients in pharmacologic action.
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Objective A headspace-solid phase microextraction-gas chromatography-mass spectrometry method (HS-SPME-GC-MS) was adopted for analyzing the volatile components of different parts of Clausena lansium in Hainan Province. Methods Five different fibers were investigated and optimized. Other five experimental parameters such as volume of water, extraction temperature, equilibrium time, extraction time, and salt concentration had been evaluated and optimized by means of the orthogonal design with L16(45) table. Finally, the volatile components of C. lansium leaves, pericarps, and seeds in Hainan were analyzed and identified by GC-MS combined with retention index (RI). Results The optimum extraction conditions were as follows: a 50/30 μm DVB/CAR/PDMS fiber, 10 mg sample powders, 2.0 mL water, 0.2 g NaCl, extraction temperature 80 ℃, equilibrium time 30 min, extraction time 60 min. A total of 83 chemical components were identified from leaves, 96 from pericarps, and 106 from seeds, representing the relative contents of 95.24%, 92.15%, and 95.92% of the total composition. The highest contents were sesquiterpenes in all of the parts, but there were obviously different both in components and contents. Conclusion The HS-SPME-GC-MS method is rapid and sensitive, with a small sample size, without any organic solvents. GC-MS combined with RI has improved the accuracy of analysis and identification. The results may provide experimental basis for further exploitation of C. lansium in Hainan. This method can be used to perform enrichment analysis of the components with high-boiling point and micro-components, which can comprehensively and scientifically characterize and evaluate the quality of Chinese materia medica.
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Objective To establish a method for determining volatile components from Actinidia valvata Dunn .Methods A static headspace‐gas chromatography‐mass spectrometry (HS‐GC‐MS) method was used to analyze volatile components , and the separated peaks were identified by mass spectal library searching combined with retention index comparison .Results 42 volatile components were separated from Actinidia valvata Dunn and 25 of them were identified ,mainly including alcohols ,es‐ters ,aldehydes ,hydrocarbons and so on .Conclusion Combined with retention index calculation ,this method improved accuracy of qualitation of HS‐GC‐MS and provided scientific proof for the exploitation and utilization of Actinidia valvata Dunn .
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To compare the differences of essential oils extracted from Curcumae Rhizoma with different origins. The TIC of the essential oils of Curcumae Rhizoma from three different origins recorded by CP(2010) , were investigated by GC-MS combined with automated mass spectral deconvolution and identification system(AMDIS),steps as follow： firstly, overlapped peaks were resolved by AMDIS,secondly, NIST11.L standard MS spectral database combined with retention index were used to assist qualitative analysis, thirdly, the peak area of each split peak were determined by choosing the characteristic fragment ion peak, finally, the relative percentage contents of each compounds were determined through peak area normalization method. The results showed that the components of the essential oils of Curcumae Rhizoma from three origins were different from each other at various degree. In conclusion, the types and content of essential oils could be an indicator to evaluate the quality of Curcumae Rhizoma from different origins and its geoherbalism.
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To investigate the dynamic change rules of volatile components from Atractylodis Macrocephalae Rhizoma with different stir-baking degrees (from slight stir-baking, stir-baking to yellow, stir-baking to brown, to stir-baking to scorch). In the present experiment, the Atractylodis Macrocephalae Rhizoma samples with different stir-baking degrees were collected at different processing time points. The contents of volatile oil in various samples were determined by steam distillation method, and the volatile compounds were extracted by using static headspace sampling method. Gas chromatography-mass spectrography (GC-MS) and automated mass spectral deconrolution and identification system (AMDIS) were combined with Kováts retention index to analyze the chemical constituents of the volatile compounds. The results showed that with the deepening of the stir-baking degree, the content of volatile oil was decreased step by step in 4 phases, and both the compositions and contents of volatile components from Atractylodis Macrocephalae Rhizoma showed significant changes. The results showed that the dynamic change rules of volatile components from Atractylodis Macrocephalae Rhizoma in the process of stir-baking were closely related to the processing degree; in addition, Atractylodis Macrocephalae Rhizoma and honey bran had adsorption on each other. These results can provide a scientific basis for elucidating the stir-baking (with bran) mechanism of Atractylodis Macrocephalae Rhizoma.
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Objective To analyze and compare the chemical components of the volatile oil in different parts of Cryptotae-nia japonica .Methods Essential oils were extracted from the root ,stem ,leaf ,fruit of Cryptotaenia japonica through steam distillation .GC-MS analysis combined with Kovats retention index methods were used to analyze its main components .Results 28 peaks were separated and 28 compounds were identified from volatile oils from the root of Cryptotaenia japonica ,ac-counting for 86.66% of the total ,27 peaks were separated and 27 compounds were identified from volatile oils from stem of Cryptotaenia japonica ,accounting for 88 .01% of the total ,27 peaks were separated and 27 compounds were identified from volatile oils from leaves of Cryptotaenia japonica ,accounting for 94 .03% of the total ,26 peaks were separated and 26 com-pounds were identified from volatile oils from fruit of Cryptotaenia japonica ,accounting for 88 .32% of the total .35 kinds of volatile compounds were identified from the whole strain ,and the main components of each part of the volatile oil were sesquit-erpene compounds ,containing a small amount of monoterpenes .Among all the 35 compounds ,different parts of Cryptotaenia japonica share 22 compounds .Compounds 19 ,23 only exists in the volatile oil from the roots .Aromadendrene ,compound 25 , red myrrh alcohol only exists in the volatile oil from the fruit .So there is a certain difference in the types and quantity of the compounds .Conclusion The volatile oil of Cryptotaenia japonica contains many physiologically active substance .Take the whole plant as a medicine has its rationality ,which provide a scientific basis for the further research and development of Cryp-totaenia j aponica .
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The analysis of essential oil in seeds ofDeseurainia sophia provided an experimental basis for further research on essential oil activity test at the first time. Essential oil was extracted by steam distillation method. Analysis and identification were made by gas chromatography-mass spectrometry (GC-MS) technology in combination with retention indices. A total of 33 components in seeds ofD. sophia were detected by GC-MS and 28 compounds were identified by MS in combination with Kovats retention index. The compounds with high contents were as follows: 3-methylene-nonane (68.14%), 1,3-diazine (29.32%), 2-n-butylacrolein (0.58%), methyl nipecotate (0.43%), 4-oxo-butanenitrile (0.31%), 8-chloro-neoisol-ongifolene (0.25%) and so on. It was concluded that 28 volatile components were identified by GC-MS combined with retention indices. The total detected components were 99.91%. This method was able to improve the accuracy of qualitative detection results.
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OBJECTIVE: To conduct a quantitative analysis of volatile constituents from Tamarix ramosissima.METHODS: The volatile constituents were extracted from T.ramosissima using solid phase microextraction and identified using GC-MS combined with Kvotas retention index.RESULTS: 34 constituents were separated from T.ramosissima and 25 constituents were identified.The relative mass content of volatile constituents was determined by peak area normalization method,accounting for 89.50% of total peak area.The main chemical constituents were pentadecane (16.83%),nonanal (12.45%),hexadecane (8.20%),tetradecane (8.08%) and hexanal (7.37%).The result showed hydrocarbon (37.11%),aldehyde (27.56%),ketone (8.89%) and alcohol (8.04%) were the main constituents.CONCLUSION: The study can provide scientific basis for the further development of T.ramosissima.
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PURPOSE: Differentiation of parathyroid and thyroid nodule is often difficult even with aids of ultrasonography and computed tomography. Tc-9m sestamibi (MIBI) scintigraphy is useful in the detection of hyperfuntioning parathyroid nodules. However, its role in the differentiation between parathyroid and thyroid nodules including malignancies is not well studied. Therefore, the purpose of this study is to evlauate the role of Tc-99m MIBI imaing in the differentiation of parathyroid adenoma from thyroid malignancy. METHODS: Six patients (4 women, 2 men, mean age 43 years) with parathyroid adenoma and 4 patients (2 women, 2 men, mean age 56 years) with thyroid papillary cancer were enrolled. Ten and 180 minutes after injection of 740 MBq Tc-99m MIBI, pinhole image of the anterior neck was obtained. Nodule-to-thyroid ratio (N:T) was measured from same sized region of interests over nodule and normal thyroid bed. Retention Index (RI) was calculated as N:T 10 minus N:T 180 divided by N:T 10. RESULTS: as those with thyroid cancer (1.09 ± 0.35, 1.24 ± 0.36, respectively, P>0.05 ). However, RI of parathyroid patients was higher than thyroid cancer patients (0.64 ± 0.29, -0.12 ± 0.20, respectively, P<0.05). CONCLUSION: Parathyroid adenoma showed higher retention rate of Tc-99m MIBI than thyroid cancer. Therefore, differntiation of parathyroid and thyroid nodule could be possible using Tc-99m MIBI scintigraphy.
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Objective To study the action of chromatogram retention index in forecasting the LC50 of chlorinated phenols and chlorinated benzenes for the Guppy.Methods Chromatogram retention time of chlorinated phenols and chlorinated benzenes were determined,and the LC50 for Guppy was from the published data.Results A regression model was established,for chlorinated phenols,it was lg(LC50)=1.599-2.64?10-3I,r=0.970,P