Pharmacological effects of volatile oil from chrysanthemum and its associated mechanisms:a review

Volatile oil(VO)is the main chemical component of common plants in Chrysanthemum genus,and it possesses several beneficial pharmacological properties,including bacteriostatic,antioxidant,anti-tumor,anti-inflammatory,antipyretic,analgesic,antiosteoporotic,antihypertensive,sedative,and hypnotic effects.To date,research on the effective components of Chrysanthemum extract has mainly focused on flavonoids,whereas limited data are available on the chemical constituents and underlying mechanisms of action of the VO components.In this review,the pharmacological activities and mechanisms of VO are comprehensively reviewed with the aim of providing a foundation for further development for medicinal,aromatherapy,and diet therapy applications.

Study on the interaction between volatile oil components and skin lipids based on molecular docking techniques

Objective To analyze the interactions between different structural types of volatile oil compo-nents(VOCs)and skin lipid molecules;and investigate the mechanism of volatile oil in Chi-nese materia medica(VOCMM)as penetration enhancers.Methods In this study;210 different structural types of VOCs were selected from the VOCMM penetration enhancer database;and the molecular docking experiments were conducted with three main lipid molecules of skin:ceramide 2(CER2);cholesterol(CHL);and free fatty acid(FFA).Each VOC was docked individually with each lipid molecule.Cluster analysis was used to explore the relationship between the binding energy of VOCs and their molecular struc-tures.Nine specific pathogen-free(SPF)Sprague Dawley(SD)rats were randomly divided in-to Control;Nootkatone;and 3-Butylidenephthalide groups for in vitro percutaneous experi-ments;with three rats in each group.The donor pool solutions were 3%gastrodin;3%gas-trodin+3%nootkatone;and 3%gastrodin+3%3-butylidenephthalide;respectively.The pen-etration enhancing effects of VOCs with higher binding energy were evaluated by comparing the 12-hour cumulative percutaneous absorption of gastrodin(Q12;µg/cm²).Results(i)Most of the VOCs were non-hydrogen bonded to the hydrophobic parts of CHL and FFA;and hydrogen bonded to the head group of CER2.Among them;sesquiterpene ox-ides showed the most pronounced binding affinity to CER2.The VOCs with 2-4 rings(in-cluding carbon rings;benzene rings;and heterocycles)demonstrated stronger binding affini-ty for three skin lipid molecules compared with the VOCs without intramolecular rings(P<0.01).(ii)According to the cluster analysis;most of the VOCs that bond well to CER2 had 2-3 intramolecular rings.The non-oxygenated VOCs were bonded to CER2 in a hydrophobic manner.The oxygenated VOCs were mostly bonded to CER2 by hydrogen bonding.(iii)The results of Franz diffusion cell experiment showed that the Q12 of Control group was 260.60±25.09µg/cm2;and the transdermal absorption of gastrodin was significantly increased in Nootkatone group(Q12=5503.00±1080.00µg/cm²;P<0.01).The transdermal absorption of gastrodin was also increased in 3-Butylidenephthalide group(Q12=495.40±56.98µg/cm²;P>0.05).(iv)The type of oxygen-containing functional groups in VOCs was also an influencing factor of binding affinity to CER2.Conclusion The interactions between different types of VOCs with different structures in the VOCMM and three skin lipid molecules in the stratum corneum were investigated at the molecular level in this paper.This research provided theoretical guidance and data support for the screening of volatile oil-based penetration enhancers;and a simple and rapid method for studying the penetration-enhancing mechanism of volatile oils.

GC-MS/MS Method for Determination and Pharmacokinetics of Main Components of Cang-Ai Volatile Oil in Rat Plasma after Intravenous Administration

[Objectives]To establish a gas chromatography-triple quadrupole mass spectrometry(GC-MS/MS)method based on multiple reaction monitoring(MRM)mode for the analysis of the major components in Cang-ai volatile oil(CAVO).[Methods]An ultrasensitive gas chromatography-tandem mass spectrometry(GC-MS/MS)method was developed and validated for the determination of three highly abundant components in rat plasma samples.Paeonol was used as an internal standard.A multiple reaction monitoring(MRM)model was employed for the quantification of the three major components of CAVO.[Results]The method demonstrated linearity over the range of 0.25 to 50μg/mL with a correlation coefficient(R 2)greater than 0.9998.The lower limit of quantification was 0.25μg/mL.Intra-day and inter-day accuracy and precision were within 15%.Extraction recovery and matrix effect values ranged from 90.1%to 110.6%and 0.1%to 2.1%,respectively.[Conclusions]This method was successfully applied to the simultaneous determination of the three components in high-level CAVO plasma samples,providing a basis for subsequent studies of CAVO.

Exploration of the efficacy and mechanism of treating head wind disease with the combination change of ginger volatile oil and gingerol by using content-weighted network pharmacology technology

Background:Exploring the efficacy,potential components,and mechanism of the combination of ginger essential oil and gingerols in the treatment of head wind disease based on network pharmacology technology with content weight.Methods:The experimental groups were divided into:0:10,1:4,1:2,1:1,2:1,4:1,10:0.The relative content(Ri)of the chemical constituents of ginger's volatile oil was determined using gas chromatography-mass spectrometry(GC-MS).Additionally,the physicochemical and biological property parameters(LogP,MDCK,PPB,MW)of the components were considered.To assess the quantitative effect of the components,a grading score was performed,and the quantitative effect index(Ki)was calculated.Subsequently,the target effect index(Ti)was calculated by combining the component-target matching score(Fit score).Using these calculations,the target effect score A was determined under the influence of multiple components targeting different targets.Key targets with A≥1000 were identified.To predict the targets related to head wind disease,the Comparative Toxicogenomics Database(https://ctdbase.org/),Gene Cards(https://www.genecards.org/),and Disgenet database(https://www.disgenet.org/)were utilized.The key targets,obtained from different proportions of ginger's volatile oil and gingerol,were intersected with the predicted targets.This facilitated network pharmacological analysis and verification of the efficacy.Results:The content of volatile oil in ginger demonstrated an impact on key targets associated with the volatile oil group.Each specific combination of volatile oil consistently activated distinct pathways,with variations stemming from changes in content.Experimental testing revealed that different combinations of ginger's volatile oil and gingerol effectively alleviated migraine symptoms in rats.Conclusion:Through the application of content-weighted network pharmacology technology and pharmacodynamic verification,it was determined that altering the ratio between ginger's volatile oil and gingerol leads to variations in potential targets and pathways,consequently impacting its efficacy.

Application of Fluid Phase Recovery Method in the Early Development of BZ26-6 Volatile Oil Field in Bohai Sea

BZ26-6 Oilfield is a kind of deep metamorphic rock buried-hill volatile oilfield in Bohai Sea, China. Its early development plan is restricted due to the simultaneous production of oil and gas in large sections of reservoirs, unclear understanding of formation fluid properties and uncertainty of gas-oil interface. Through theoretical research on phase recovery and experimental analysis of crude oil phase characteristics in the original formation, characteristic parameters of the equilibrium condensate gas fluid are restored and calculated. Through the superimposed phase diagram of volatile oil and condensate gas, BZ26-6 Oilfield is determined to be a volatile oil reservoir with a condensate gas cap, with formation pressure and saturation pressure of 36.1 MPa, respectively. Based on the research results of oil-gas phase behavior characteristics, the thermodynamic equations and equation of state are jointly used to solve the problem, and the content change curves of each component at different depths are drawn. Combined with the sensitivity analysis of numerical simulation, the gas-oil interface is determined to be -3726 m above sea level. The fluid phase analysis software, Fluidmodeler, is used to simulate volatile oil degassing and condensate gas separation experiments. In combination with oil and gas production data obtained through the production test, the specific oil recovery index and the specific gas recovery index are determined to be 0.408 m3/(MPa·d·m) and 1195 m3/(MPa·d·m), respectively. And the reasonable production capacity prediction is conducted on the early development of BZ26-6 Oilfield. The research results can provide a theoretical basis for the efficient development of similar complex oil and gas reservoirs.

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.

Effect of Three Precursors on Accumulation of Principal Volatile Oil Constituents in Tissue Culture Plantlets of Atractylodes lancea (Thunb.) DC.

[Objective] This study was to explore the effect of three precursors on the accumulation of principal volatile oil constituents in tissue culture plantlets of Atractylodes lancea （Thunb.） DC. with the aim to provide references for the improvement of artificial cultivated A. lancea quality. [Method] Three precursors were added into the MS rooting medium for A. lancea tissue culture plantlets and the volatile oil was extracted by ultrasonication after cultured for several days. The content of atractylon, atractylol, β-eucalyptol and atractydin in the volatile oil were determined by using gas chromatography method. [Result] The addition of xylose, isoprene and tetrahydrofuran impacted the growth indicators, yield of volatile oil and relative percentage content of the four constituents of A. lancea tissue culture plantlets. In the 6 g/L xylose optimized medium, the atractylon and β-eucalyptol content reached up to 4.23% and 56.34%, respectively, 1.41% and 1.66% higher than the control; although the addition of isoprene into medium raised the atractylon content, the accumulation of total volatile oil was inhibited that it decreased by 23.67%, 31.06% and 7.10% to the control; for the tetrahydrofuran optimized medium, the content of atractylon, atractylol and atractydin all increased, and the total volatile oil content increased by 49.97% to the control when the concentration of tetrahydrofuran was 0.07 g/L. [Conclusion] The addition of xylose and tetrahydrofuran promoted the accumulation of principal constituents of the volatile oil, whereas the addition of isoprene inhibited the accumulation.

Chemical composition and phytotoxic activity of the volatile oil of invasive Xanthium italicum Moretti from Xinjiang,China

Aerial parts of Xanthium italicum in an air tight container greatly inhibited root elongation of radish, implying that this invasive plant could release biologically active volatile organic compounds （VOCs） into the environment to affect other plants＇ growth. This phenomenon was further studied by evaluating the phytotoxic effects of X. italicum essential oil against two dicot plants, amaranth （Amaranthus mangostanus L.） and lettuce （Lectuca sativa L.）, and two monocot plants, wheat （Triticum aestivum Linn） and ryegrass （Lolium multiforum）, and analyzing the chemical composition of the oil. Among the 4 test species, amaranth was the most sensitive plant, 0.5μl/mL essential oil application resulted in a 50% reduction on root elongation, and 2.5 μl/mL essential oil almost completely inhibited its seedling growth. Wheat was the least sensitive species, whose root growth was reduced to 36% of control by 5 μl/mL essential oil. The essential oil exerted moderate inhibitory effect on both lettuce and ryegrass. Compared to a commercial herbicide-Harness, X. italicum oil exhibited stronger phytotoxicity on amaranth, lettuce and wheat, but weaker activity on ryegrass. The chemical composition of the essential oil isolated by hydrodistillation from the aerial parts of X. italicum Moretti was analyzed by GC/MS. Thirty two compounds were identified, representing 94.89% of total oil, which was found to be rich in monoterpene hydrocarbons （60.71%）. The main constituents of the oil were limonene （51.61%）, germacrene B （6.98%）, 6-cadinol （5.94%）, β-pinene （5.23%）, α-caryophyllene （5.1%） and bornyl acetate （3.15%）. Bioassay revealed the dominant constituent-limonene, was unlikely the responsible phytotoxic compound due to its low biological activity; rather, there might be other oil constituent（s） that either act alone, or work together, and possibly assisted by synergistic effect, to display the phytotoxic activity. Our results suggested that X. italicum might produce allelopathic VOCs to facilitate its invasion success. This is the first report on the phytotoxic activity and the chemical composition of the essential oil of X. itaficum Moretti from China.

Preparation and Evaluation of Microcapsule Containing Volatile Oil of Herba Schizonepetae by Emulsion Solvent Diffusion Method

Microcapsules of volatile oil containing Herba Schizonepetae(VOHS) were prepared by emulsion solvent diffusion method to improve the drug loading and reduce the amount of pharmaceutical excipients.Orthogonal assay was applied to optimize the preparation condition of microcapsulation,and the results illustrated that the ratio of ethyl cellulose(EC) to VOHS influenced the property of VOHS microcapsule significantly.GC-MS analysis indicated that some volatile components with low concentration in VOHS were lost after microencapsulation.The microcapsules prepared with optimum condition had good fluidity,and the holes on the surface of the microcapsules contributed to the release of VOHS.The particles of the microcapsule conformed to a normal distribution with the diameter of 45—220 μm.In the simulated intestinal fluid containing 0.2% sodium dodecyl sulfate,pulegone in VOHS microcapsule showed a certain degree of slow release.Compared with β-cyclodextrin method,the microencapsulation used in the present work could reduce the amount of excipients and increase the drug loading.It was beneficial to reduce the dose of Chinese medicines containing volatile oils.

Components of Volatile Oil from Water-caltrop and Their Anti-tumor Effect in vitro

The volatile oil was extracted from water caltrop by steam distillation; it was then analyzed by GC-MS to obtain 16 components, 8 of which were identified. Apocynin was the most abundant one, accounting for 81.41% of the total oil. The in vitro inhibitory effects of the volatile oil on SMMC-7721, MCF-7, Hela, HL-60 cells, and human peripheral blood mononuclear cells（PBMC） were investigated via the MTT method. The morphological changes of the tumor cells were observed and the apoptosis of HL-60 cells was detected by flow cytometry. The proliferation of the tumor cells could be significantly inhibited and the apoptosis of HL-60 cells could be induced by the volatile oil. The proliferation inhibition effect of the volatile oil on HL-60 tumor cells and the induction of the apoptosis of ilL-60 cells had dose-dependent feature.

GC-MS Analysis of Chemical Components of Volatile Oil in Different Parts of Fennel( Foenicuzu vulgare Mill. )

[Objectives] This study was conducted to analyze the composition of volatile oil in different parts of fennel(Foenicuzu vulgare Mill.) and to compare the differences in the composition of volatile oil in different parts of fennel.[Methods]The steam distillation method was applied to extract volatile oil from different parts of fennel,and the components of volatile oil from different parts of fennel were separated and identified by GC-MS.The relative content of each component was determined by the peak area normalization method.[Results]37,33,18,and 44 chemical components were separated from the volatile oil of fennel roots,stems,young leaves and fruit,respectively,accounting for 98.64%,99.34%,99.59% and 95.99% of the total volatile oil of corresponding parts.A total of 77 chemical components were identified in the four parts,of which 5 were common components.The main component of the volatile oil in the stems and young leaves was trans-anethole.The main components of the volatile oil in fruit were estragole and trans-anethole.And the main component of the volatile oil in the roots was dill apiol.The components in the volatile oil of fennel roots,stems,young leaves and fruit were different in type and content.[Conclusions]This study provides a theoretical reference for the further effective development and utilization of fennel resources.

Effects of Mirazid~ and myrrh volatile oil on adult Fasciola gigantica under laboratory conditions

Objective:To evaluate the effects of Mirazid and myrrh volatile oil on adult Fasciola gigantica(F.gigantica) under laboratory conditions.Methods:The effects of oleoresin extract of myrrh(Mirazid) and myrrh volatile oil on the surface morphology of adult F.gigantica following treatment in vitro had been determined by scanning electron microscopy.The results were compared with those observed in the fluke tegument following incubation in triclabendazole sulphoxide(TCBZ-SO),active form.(Fasinex,Ciba-Geigy).Results:Observations of the efficacy of Mirazid oleoresin extract and myrrh volatile oil indicated that both products showed dosedependent anthelmintic efficacy.The anterior half of the fluke was consistently more severely affected than the posterior half.The surface changes induced by Mirazid oleoresin extract were less severe than those observed after exposure to either myrrh volatile oil or TCBZ-SO.Flukes showed swelling after these treatments,but its level and blebbing were much greater with myrrh volatile oil;in which patches of tegumental sloughing were observed in the apical cone and the posterior mid-body region of flukes.This was not observed after treatment with Mirazid oleoresin extract.Conclusions:The comparatively more disruption,observed in myrrh volatile oil exposed specimens,compared to that exposed to Mirazid oleoresin extract might suggest that the anthelmintic activity of Mirazid oleo resin extract was attributed to its content of volatile oil.So,increasing the concentration of myrrh volatile oil in Mirazid might possibly help to developing its anthelmintic activity._______________________________________________

BAIMUXIFURANIC ACID,A NEW SESQUITERPENE FROM THE VOLATILE OIL OF AQUILARIA SINENSIS(LOUR.)GILG.

A new sesquiterpenoid,named baimuxifuranic acid,has been isolated from the volatile oil of Aquilaria sinensis(Lour.)Gilg.belonging to the family Thymelaceae by silica gel column chromatography.Based on spectral analysis its structure was deduced as(1).Reduction of baimuxifuranic acid by LiAlH_4 gave a

Investigation of the volatile oils,lipid constituents and biological activity of Ballota andreuzziana,Teucrium zanonii and Verbena tenuisecta in Libya

Objective:To determine the chemical composition of essential oils and lipid constituents of Ballola andreuzziana(B.andreuzziana),Teucrium zanonii(T.zanonii) and Verbena tenuisecta(V. tenuisecta) growing in Libya,and to test the antibacterial activity of different extracts of Teucrium zanonii.Methods:The volatile oils of all plants were extracted by hydrodistillation method and analyzed by GC/MS method.The lipid constituents of plants were obtained by extraction with petroleum ether and fractionated into fatty alcohols,fatty acids and unsapoinfiable matters. Antibacterial activity of T.zanonii extracts and antioxidant activity of different extracts of T. zanonii were also studied.Results:The volate oil of B.andreuzziana was found to consists of 20 compounds in which caryophyllin is the main one(63.1%),the volatile oil of T.zanonii consists of 74 compounds in which germacrene-D was the main compound,while the volatile oil of V. tenuisecta consists of 13 compounds with l-octen-3- ol as a major constituent(52.87%).The study of antimicrobial activity of different extracts of V.tenuisecta showed that,both methanol and butanol extracts exhibited the highest activity against Mycobacterium phlei(M.pblei) and Candida albicans(C.albicans) respectively,while petroleum ether,fatty alcohols and unsaponifiable fractions had no antimicrobial activity against all the tested microorganisms. Investigation of the antioxidant activity of different extracts of T.zanonii using DPPH method proved that,the ethyl acetate and butanol fractions showed the highest activity where the inhibition percentage(1%) are 93.6 and 92.1 respectively.Conclusions:This is the first report about the volatile oils of these plants where T.zanonii have the highest content and the highest number of the identified compounds.The study of antioxidant T.zanonii extracts proved that,the ethyl acetate,butanol and aqueous extracts have the highest antioxidant activity.Methanol and butanol extracts of V.tenuisecta exhibited the highest activity against M.phlei and C.albicans respectively.

Chemical component analysis of volatile oil in drug pair Herba Ephedrae-Ramulus Cinnamomi by GC-MS and CRM

Active volatile components in drug pair(DP)Herba Ephedrae-Ramulus Cinnamomi(HE-RC),single drug HE and RC were analyzed by gas chromatography/mass spectrometry(GC/MS),chemometric resolution method(CRM)and overall volume integration.By means of CRM,the two-dimensional data obtained from GC-MS instruments were resolved into a pure chromatogram and a mass spectrum of each chemical compound.In total,97,62,and 78 volatile chemical components in volatile oil of HE,RC,and DP HE-RC,were respectively determined qualitatively and quantitatively,accounting for 90.08%,91.62%,and 89.76% total contents of volatile oil of HE,RC,and DP HE-RC respectively.It is further demonstrated that the numbers of volatile components of DP HE-RC are almost the sum of those of two single drugs,but some relative contents of them are changed.Some new components,such as 1,6-dimethylhepta-1,3,5-triene,tetracyclo[4.2.1.1(2,5).0(9,10)]deca-3,7-diene,globulol and(E,E)-6,10,14-trimethyl-5,9,13-pentadecatrien-2-one are found in DP HE-RC because of chemical reactions and physical changes during decoction.

Do U.S.economic conditions at the state level predict the realized volatility of oil‑price returns?A quantile machine‑learning approach

Because the U.S.is a major player in the international oil market,it is interesting to study whether aggregate and state-level economic conditions can predict the subse-quent realized volatility of oil price returns.To address this research question,we frame our analysis in terms of variants of the popular heterogeneous autoregressive realized volatility(HAR-RV)model.To estimate the models,we use quantile-regression and quantile machine learning(Lasso)estimators.Our estimation results highlights the dif-ferential effects of economic conditions on the quantiles of the conditional distribution of realized volatility.Using weekly data for the period April 1987 to December 2021,we document evidence of predictability at a biweekly and monthly horizon.

Component analysis of volatile oil from Illicium Verum Hook. f.

Volatile oil was extracted from Illicium Verum Hook. f. by using steam distillation. 41 kinds of compounds were separated and identified by GC/MS, and their relative contents were determined by normalization method. Among 41 identified compounds, there are 14 hydrocarbon components and 22 oxygenated hydrocarbon derivatives, and a small amount of nitrogenous compounds. The main component is anethole, accoun ting for 76.23%, and the other components such as anisyl acetone, anisaldehyde, p allylanisole, p cumic aldehyde and p allylpen take up more than 10%.

Volatile Oil of Platycladus Orientalis(L.)Franco Leaves Exerts Strong Anti-inflammatory Effects via Inhibiting the IκB/NF-κB Pathway

This study was designed to investigate the anti-inflammatory effects of volatile oil of Platycladus orientalis(L.)Franco leaves(VOPF)and the underlying molecular mechanisms by using the non-infectious inflammation rat models and infectious inflammation mouse models.Ear swelling and intraperitoneal capillary permeability in mice,and carrageenan-induced toe swelling and cotton ball-induced granuloma in rats were used to reveal anti-inflammatory effects of VOPF.Moreover,the lipopolysaccharide(LPS)-induced mouse model of acute lung injury was used to explore the anti-inflammatory mechanism of VOPF.The results showed that VOPF could significantly inhibit auricular swelling,intraperitoneal capillary permeability in mice,and reduce granuloma swelling and paw swelling in rats.Furthermore,it significantly alleviated the pathological damage of the lung tissue.In addition,VOPF could reduce the contents of IL-1β and TNF-αand increase the content of IL-10 in the serum.It had little effect on the expression of p65 but reduced the phosphorylation level of p65 and IκB in NF-κB pathway.In conclusion,VOPF has anti-inflammatory effects and the mechanisms involve the down-regulation of the phosphorylation levels of p65 and IκB and blockage of the NF-κB signaling pathway.

Source,Process and End Treatment Technology of Volatile Organic Compounds in Oil Storage

Oil storage is a source of volatile organic compounds( VOCs). Volatile organic compounds can cause different damages to the environment,animals and plants. Therefore, it is important to control the discharge of VOCs in oil storage. In this paper,the control technology of sources of VOCs pollution in oil storage was analyzed from the source,process and end treatment,and measures for the prevention and control of VOCs pollution in oil storage were proposed.

Component Analysis of Volatile Oil of Garlic from Different Districts and Assay of Allicin Content

[ Objective] The aim was to study the chemical component of volatile oil of garlic in different districts. [ Method] GC-MS was used to an- alyze the composition of the garlic volatile oil in Guiyang, Guizhou Majiang, Shandong, Yunnan and Chongqing and the HPLC method was used to assay the content of gadicin. [ Result]Gadicin in different essential oil had the highest content but varied a lot. The sampling amount of garlicin be- tween 0.562 and 2.810 μg was in a good linear relation （R =0.999 2, n = 5 ） with peak area, the average recovery rate was 99.39, RSD = 1.76%. [ Conclusion] GC-MS can be used to analysis the composition of essential oil quickly and effectively. The liquid chromatographic analysis of garlicin was simple, reliable and reproducible. The study provided the theoretical basis for selecting garlic in gadic flavor oil production and improving quality of gadicin oil.