Products and mechanism of the reaction of OH radicals with 2,2,4-trimethylpentane in the presence of NO

Alkanes are important constituents of gasoline fuel and vehicle exhaust, with branched alkanes comprising a significant fraction of the total alkanes observed in urban areas. Products of the gas-phase reactions of OH radicals with 2,2,4-trimethylpentane and 2,2,4-trimethylpentane-d18 in the presence of NO at 298+/-2 K and atmospheric pressure of air have been investigated using gas chromatography with flame ionization detection (GC-FID), combined gas chromatography-mass spectrometry (GC-MS), and in situ atmospheric pressure ionization tandem mass spectrometry (API-MS). Acetone, 2-methylpropanal, and 4-hydroxy-4-methyl-2-pentanone were identified and quantified by GC-FID from 2,2,4-trimethylpentane with molar formation yields of 54+/-7%, 26+/-3%, and 5.1+/-0.6%, respectively; upper limits to the formation yields of acetaldehyde, 2,2-dimethylpropanal, and 4,4-dimethyl-2-pentanone were obtained. Additional products observed from 2,2,4-trimethylpentane by API-MS and API-MS/MS analyses using positive and negative ion modes were hydroxy products of molecular weight 130 and 144, a product of molecular weight 128 (attributed to a C8-carbonyl), and hydroxynitrates of molecular weight 135, 177, and 191 (attributed to HOC4H8ONO2, HOC7H14ONO2, and HOC8H16-ONO2, respectively). Formation of HOC8H16ONO2 and HOC7H14-ONO2 is consistent with the observation of products of molecular weight 207 (HOC8D16ONO2) and 191 (HOC7D14-ONO2), respectively, in the API-MS analyses of the 2,2,4-trimethylpentane-d18 reaction (-OD groups rapidly exchange to -OH groups under our experimental conditions). These product data allow the reaction pathways to be delineated to a reasonable extent, and the reaction mechanism is discussed.     

Formation and reaction of hydroxycarbonyls from the reaction of OH radicals with 1,3-butadiene and isoprene

1,3-Butadiene and isoprene (2-methyl-1,3-butadiene) are emitted into the atmosphere in vehicle exhaust and, in the case of isoprene, from vegetation. We have investigated the formation and further reaction of products of their hydroxyl radical-initiated reactions using atmospheric pressure ionization mass spectrometry (API-MS) and solid-phase microextraction fibers precoated with O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine for on-fiber derivatization of carbonyl compounds, with subsequent analysis by thermal desorption and gas chromatography with flame ionization detection (SPME/GC-FID) or MS detection. Products attributed as HOCH2CH=CHCHO and HOCH2CH=CHCH2ONO2 (and isomers) from 1,3-butadiene; HOCD2CD=CDCDO and HOCD2CD=CDCD2ONO2 (and isomers) from 1,3-butadiene-d6; HOCH2C(CH3)=CHCHO and/or HOCH2CH=C(CH3)CHO, and HOCH2C(CH3)=CHCH2ONO2 (and isomers) from isoprene; and HOCD2C(CD3)=CDCDO and/or HOCD2CD=C(CD3)CDO, and HOCD2C(CD3)=CDCD2ONO2 (and isomers) from isoprene-d8 were observed as their NO2- adducts in the API-MS analyses. The hydroxycarbonyls were observed from SPME/GC-FID analyses of the 1,3-butadiene and isoprene reactions as their oximes, together with acrolein, glycolaldehyde, and glyoxal from the 1,3-butadiene reaction. A rate constant for the reaction of OH radicals with 4-hydroxy-2-butenal of (5.7 +/- 1.4) x 10(-11) cm3 molecule(-1) s(-1) at 298 +/- 2 K was derived, and formation yields of acrolein and 4-hydroxy-2-butenal from the 1,3-butadiene reaction of 58 +/- 10% and 25 (+15/-10)%, respectively, were determined. Analogous experiments showed that the two C5-hydroxycarbonyls formed from isoprene have rate constants for their reactions with OH radicals of (1.0 +/- 0.3) x 10(-10) cm3 molecule(-1) s(-1) and (4 +/- 2) x 10(-11) cm3 molecule(-1) s(-1) and a combined yield of approximately 15%, although isomer-specific identification of the hydroxycarbonyls was not achieved.     

Volatile components of mangaba fruit (Hancornia speciosa Gomes) at three stages of maturity

The effect of stage of maturity on the volatile components of mangaba fruit (Hancornia speciosa Gomes) growing at Sergipe State, Brazil, was investigated at three different stages. The volatile profile obtained by hydrodistillation, using a Clevenger-type apparatus, was analysed by GC–FID and GC–MS. It was possible to identify 33 compounds in the immature fruits, such as 1-octen-3-ol (2.8%), (Z)-linalool oxide (9.1%), (E)-linalool oxide (6.3%), linalool (16.1%), 2-phenylethanol (4.5%), α-terpineol (5.5%), geraniol (3.1%), hexadecanal (2.5%) and octadecanol (2.7%); 34 compounds in the fruits at the intermediate stage, such as ethyl propanoate (4.1%), n-propyl acetate (11.1%), 3-methyl-3-buten-1-ol (6.8%), 2-methyl propyl acetate (2.5%), furfural (18.6%), (Z)-3-hexenol (3.2%), 1-hexanol (2.4%), 3-methyl-3-buten-1-yl acetate (5.4%), (Z)-3-hexen-1-yl acetate (2.9%), n-hexyl acetate (3.3%), (Z)-linalool oxide (3.9%), (E)-linalool oxide (2.4%), linalool (3.8%), 2-phenylethanol (2.8%) and α-terpineol (2.5%); and 32 components in the mature fruits, such as 3-hydroxy-2-butanone (9.1%), 2,4,5-trimethyl-1,3-dioxolane (6.8%), 3-methyl-3-buten-1-ol (12.1%), 3-methyl-1-butanol (5.2%), furfural (8.3%), 3-methyl-1-butanyl acetate (8.8%) and 3-methyl-3-buten-1-yl acetate (28.2%).     

Products and mechanism of the reaction of OH radicals with 2,3,4-trimethylpentane in the presence of NO

Alkanes are important constituents of gasoline fuel and vehicle exhaust, with branched alkanes comprising a significant fraction of the total alkanes observed in urban areas. Using a relative rate method, a rate constant for the reaction of OH radicals with 2,3,4-trimethylpentane of (6.84+/-0.12) x 10(-12) cm3 molecule(-1) s(-1) at 298+/-2 K was measured, where the indicated error is two least-squares standard deviations and does not include the uncertainty in the rate constant for the n-octane reference compound. Products of the gas-phase reaction of OH radicals with 2,3,4-trimethylpentane in the presence of NO at 298+/-2 K and atmospheric pressure of air have been investigated using gas chromatography with flame ionization detection (GC-FID), combined gas chromatographymass spectrometry (GC-MS), and in situ atmospheric pressure ionization tandem mass spectrometry (API-MS). Products identified and quantified by GC-FID and GC-MS were (molar yields given in parentheses): acetaldehyde (47+/-6%), acetone (76+/-11%), 3-methyl-2-butanone (41+/-5%), 3-methyl-2-butyl nitrate (1.6+/-0.2%), and 2-propyl nitrate (6.2+/-0.8%). These compounds account for 69+/-6% of the reaction products, as carbon. Additional products observed by API-MS analyses using positive and negative ion modes were C5- and C8-hydroxynitrates and a C8-hydroxycarbonyl, which, together with the predicted formation of octyl nitrates, account for some or all of the remaining products. The product distribution is compared to those for the linear and branched C8-alkanes n-octane and 2,2,4-trimethylpentane.     

Kinetics of the reactions of OH radicals with 2- and 3-methylfuran, 2,3- and 2,5-dimethylfuran, and E- and Z-3-hexene-2,5-dione, and products of OH + 2,5-dimethylfuran

Furan and alkylfurans are present in the atmosphere from direct emissions and in situ formation from other volatile organic compounds. The OH radical-initiated reactions of furan and alkylfurans have been proposed as relatively clean in situ sources of unsaturated 1,4-dicarbonyls, some of which are otherwise not readily available. Using a relative rate method, rate constants at 296 ± 2 K for the gas-phase reactions of OH radicals with 2- and 3-methylfuran, 2,3- and 2,5-dimethylfuran, and Z- and E-3-hexene-2,5-dione have been measured, of (in units of 10(-11) cm(3) molecule(-1) s(-1)): 2-methylfuran, 7.31 ± 0.35; 3-methylfuran, 8.73 ± 0.18; 2,3-dimethylfuran, 12.6 ± 0.4; 2,5-dimethylfuran, 12.5 ± 0.4; Z-3-hexene-2,5-dione, 5.90 ± 0.57; and E-3-hexene-2,5-dione, 4.14 ± 0.02. Products of the OH radical-initiated reaction of 2,5-dimethylfuran were investigated, with 3-hexene-2,5-dione being formed with molar yields of 24 ± 3% in the presence of NO and 34 ± 3% in the absence of NO. Direct air sampling atmospheric pressure ionization mass spectrometry showed the formation of additional products of molecular weight 114, attributed to CH(3)C(O)CH ═ CHC(O)OH and/or 5-hydroxy-5-methyl-2-furanone, and 128, attributed to CH(3)C(O)OC(CH(3)) = CHCHO.     

Product study of the OH, NO3, and O3 initiated atmospheric photooxidation of propyl vinyl ether

A product study is reported on the gas-phase reactions of OH and NO3 radicals and ozone with propyl vinyl ether (PVE). The experiments were performed in a 405 L borosilicate glass chamber in synthetic air at 298 +/- 3 K using long path in situ FTIR spectroscopy for the analysis of the reactants and products. In the presence of NO(x) (NO + NO2) the main products for the OH-radical initiated oxidation of PVE were propylformate and formaldehyde with molar formation yields of 78.6 +/- 8.8% and 75.9 +/- 8.4%, respectively. In the absence of NO(x) propylformate and formaldehyde were formed with molar formation yields of 63.0 +/- 9.0% and 61.3 +/- 6.3%, respectively. In the reaction of NO3 radicals with PVE propylformate 52.7 +/- 5.9% and formaldehyde 55.0 +/- 6.3% were again observed as major products. The ozonolysis of PVE led to the production of propylformate, formaldehyde, hydroxyperoxymethyl formate (HPMF; HC(O)OCH2OOH), and CO with molar formation yields of 89.0 +/- 11.4%, 12.9 +/- 4.0%, 13.0 +/- 3.4%, and 10.9 +/- 2.6%, respectively. The formation yield of OH radicals in the ozonolysis of PVE was estimated to be 17 +/- 9%. Simple atmospheric degradation mechanisms are postulated to explain the formation of the observed products.     

Trans-2-hexen-1-ol as a tool for the control of Fusarium verticillioides in stored maize grains

Fusarium verticillioides infects stored maize grains. In the present study, we first evaluated the effects of ten volatile organic compounds on F. verticillioides growth in culture medium. Subsequently, based on the antifungal activity obtained in the present study and the insecticidal effect against Sitophilus zeamais reported previously, trans-2- hexen-1- ol was selected to analyzed its effect on the fungus in stored maize. All the compounds tested showed inhibitory activity on fungal development, being the most active compounds geraniol, nerol, isovaleraldehyde and linalool, followed by trans-2-hexen-1-ol, cis-3-hexen-1-ol, cis-2-hexen-1-ol and trans-3-hexen-1-ol. Besides its antifungal activity against F. verticillioides, trans-2-hexen-1-ol inhibited FB₁ production. In this study it was also demonstrated that S. zeamais favors F. verticillioides dispersion, confirming the importance of these insects as mechanical vectors of fungal spores. These results reveal the ability of trans-2-hexen-1-ol as a potential tool to control F. verticillioides in a natural approach as an alternative to synthetic pesticides.     

6种不同香型白茶香气成分的GC-MS分析

采用顶空进样结合气相色谱-质谱法（GC-MS）测定青草香型、花香型、毫香型、粽叶香型、枣香型和药香型6种香型白茶的香气成分。利用聚类分析法与主成分分析法,分析6种不同香型白茶的香气成分差异。结果表明,6种不同香型白茶共检测出48种香气成分。其中,青草香型白茶以芳樟醇、1-戊烯-3-醇、己醛、顺-3-己烯醇和2-甲基丁醛等为主要特征成分;花香型白茶以芳樟醇、1-戊烯-3-醇、己醛、2-甲基丁醛和香叶醇等为主要特征成分;毫香型白茶以芳樟醇、1-戊烯-3-醇、2-甲基丁醛、己醛和香叶醇等为主要特征成分;粽叶香型白茶以1-戊烯-3-醇、2-甲基丁醛、己醛、芳樟醇和2-乙基呋喃等为主要特征成分;枣香型白茶以1-戊烯-3-醇、2-甲基丁醛、己醛、芳樟醇和顺-3-己烯醇等为主要特征成分;药香型白茶以1-戊烯-3-醇、2-甲基丁醛、芳樟醇、己醛和2-乙基呋喃等为主要特征成分。聚类分析将6种香型白茶分为两大类型,青草香型、毫香型和花香型聚为一类,而粽叶香型、枣香型和药香型聚为另一类。其中1-戊烯-3-醇和芳樟醇是区分6种不同白茶香型的重要香气组分。     

Canopy level fluxes of 2-methyl-3-buten-2-ol, acetone, and methanol by a portable relaxed eddy accumulation system

Canopy level flux measurements of 2-methyl-3-buten-2-ol (MBO), acetone, and methanol were made over a subalpine forest in the Rocky Mountains in Colorado in the summer of 1999. The measurements were carried out using a portable relaxed eddy accumulation system that collected samples on adsorbent cartridges. Midday fluxes of acetone were highest at approximately 2.5 mg of C m-2 h-1. Methanol and MBO fluxes were approximately 1.0 mg of C m-2 h-1 each. These fluxes occurred with average daytime high temperatures of only 18 degrees C. Diurnal fluxes of MBO were strongly correlated with light and temperature. Acetone and methanol did not have simple diurnal patterns. These results indicate that oxygenated volatile organic compounds may make a significant contribution to the flux of reactive carbon to the atmosphere in western U.S. pine forests.     

Lemon Juice Aroma Concentration by Reverse Osmosis

Ethanol, a major component of lemon juice, was analyzed to indicate degree of lemon juice aroma concentration. Aroma solution was concentrated from 12.2 to 23.4% ethanol at 8.3 MPa and 19°C by reverse osmosis. Ethanol rejected by the membrane decreased from the initial 87.7% to 78% at the final aroma concentration of 23.4% ethanol. Membrane rejection of neral, geranial, and terpinene-4-ol was > 96% while rejection of the alcohols, n-propanol, 2-methyl-3-buten-2-ol, and 3-methyl-2-buten-1-ol, ranged from 6.9% to 83.5%. Sensory analysis indicated no difference between initial aroma and aroma concentrated by reverse osmosis. Mass balance determined the true recovery of total volatiles was 79.7%. Loss of volatiles was attributed to adsorption in the polymeric matrix of the membrane and some loss was attributed to cleaning.     

Analysis of volatile composition of siriguela (Spondias purpurea L.) by solid phase microextraction (SPME)

In order to investigate the volatile composition of the siriguela fruit (Spondias purpurea L.), the pulp of the fresh fruit was submitted to solid phase microextracton (SPME) using different fibers, divinylbenzene-carboxen-polydimethylsiloxane (DVB/CAR/PDMS), carbowax-divinylbenzene (CW/DVB), carboxen-polydimethylsiloxane (CAR/PDMS) and polydimethylsiloxane (PDMS) fibers. DVB/CAR/PDMS showed to be the more efficient qualitative and semi-quantitatively fiber in trapping these compounds. It was made possible to identify ketones, alcohols, aldehydes, esters and terpenic hydrocarbons in the headspace. The major compounds identified were hexanal, trans-2-hexenal, 3-hexen-1-ol, 2-hexen-1-ol, ethyl acetate and hexyl acetate. To have a clear picture of the retention indices of these compounds a new protocol, in which the standard hydrocarbon mixture is submitted to SPME, was developed and successfully used.     

SDE和HS-SPME法与GC-MS/O联用分析阳江豆豉的香气活性化合物

采用同时蒸馏萃取法(SDE)和顶空-固相微萃取法(HS-SPME)结合气相色谱-质谱/嗅闻检测技术(GC-MS/O)深入研究阳江豆豉的香气成分,共鉴定出挥发性化合物174种。SDE法对高分子量、低挥发性物质,如呋喃酮、吡喃酮等,有良好的萃取效果;而HS-SPME法能萃取更多的高挥发性化合物,如小分子的酸和酯类。通过GC-O技术在两种方法的萃取物中共嗅闻到46个香气活性区域。其中9种共有化合物(2/3-甲基丁醛、2/3-甲基丁酸、3-甲硫基丙醛、苯乙醛、愈创木酚、3-羟基-2-甲基-4H-吡喃-4-酮和苯乙醇),以及香气强度较高(评分大于2.5分)的单方法检出化合物:SDE法4种(3-羟基-4,5-二甲基-2(5H)-呋喃酮、2-乙酰基-1-吡咯啉、2-丙烯基-3-甲基吡嗪和4-羟基-2,5-二甲基-3(2H)-呋喃酮)、SPME法1种(1-辛烯-3-醇),是阳江豆豉中的关键香气活性物质,对麦芽香、酸奶酪香、烤土豆香、花香、烟熏香、焦糖香和烤香等有贡献。     

固相微萃取-气质联用技术测定5种食用植物油挥发性成分

目的采用气相色谱-质谱(GC-MS)对大豆油、芝麻油、花生油、橄榄油、葡萄籽油5种食用植物油中挥发性成分进行分析。方法采用顶空固相微萃取(HS-SPME)技术对5种食用植物油中的挥发性成分进行萃取,并结合气相色谱-质谱(GC-MS)技术对挥发性成分进行测定。结果 5种食用植物油中共检测出101种挥发性化合物,其中大豆油11种、花生油28种、芝麻油65种、橄榄油25种、葡萄籽油5种。主要包括醛类、酯类、醇类、杂环类、酚类、酸类等10类物质。大豆油中主要的挥发性成分有戊醛、已醛和己酸,花生油中主要的挥发性成分有己醛、2,5-二甲基吡嗪和2,3-二氢苯并呋喃;芝麻油中主要的挥发性成分为5-甲基呋喃醛、2-吡咯甲醛、糠醇、愈创木酚、2-甲基吡嗪、2-乙基-6甲基吡嗪等;橄榄油中主要的挥发性成分为叶醇和4-己烯-1-醇乙酸酯;葡萄籽油中主要的挥发性成分为已醛。结论 5种食用植物油的挥发性物质的种类和含量上有很大区别,可为食用植物油的掺假鉴别提供参考依据。     

不同亚硝酸盐添加量的低温蒸煮香肠的风味研究

应用顶空固相微萃取法(solid phase microextraction,SPME)对不同亚硝酸盐添加量(0、50、100和150mg/kg)的低温蒸煮香肠冷藏10d的挥发性物质进行了分离,并应用气相色谱-质谱联用方法(gas chromatography/mass spectrometry,GC-MS)对挥发性物质进行了分析和鉴定。结果表明,共有52种风味物质被检出,其中醇类20种,醛类6种,酮类4种,酸类、酯类和烃类各1种,萜烯类3种,含氮化合物6种,含氧化合物2种,芳香族化合物8种。添加亚硝酸盐后蒸煮香肠新检出的风味物质是乙醇、1-丁醇、(E)-2-己烯-1-醇、(E)-2-庚烯-1-醇、(E)-2-辛烯-1-醇、薄荷醇、3-甲基丁醛、己酸、松萜和4-硝基临苯二酰胺;添加亚硝酸盐后未检出的风味物质是罗勒烯、吡咯和四甲基吡嗪。添加亚硝酸盐后蒸煮香肠的腌肉风味(cured-meatflavor)得到了加强,150mg/kg亚硝酸钠添加组的多种风味物质相对含量明显增加。     

A preliminary investigation into a genetic basis for cis-3-hexen-1-ol odour perception: A genome-wide association approach

Odour perception is controlled by environmental and genetic influences. Most people can discriminate over 10,000 different odours, but the molecular basis of this ability is poorly understood. Little is known about which odorant receptors (ORs) detect what odour compounds, and additional research is required to gain knowledge of why detection thresholds for some odorants vary 1000-fold, or more, across people. The primary purpose of this paper is to describe a research strategy for investigating the genetic basis of human odour perception. Background information on human olfaction, human genetics and the associated research approaches is presented. This is followed by a case study on cis-3-hexen-1-ol, a compound which contributes to the ‘green leaf’ odour (and flavour) in fruit, vegetables and wine. Odour detection threshold data for 48 participants were obtained using the rating R-index methodology. The ability to perceive cis-3-hexen-1-ol odour was tested for association with genetic variability on a genome-wide scale by microarray probe genotyping. A group of significant SNPs on chromosome 6 around the SNP rs9295791 was identified and these localise with a cluster of OR genes which could potentially be involved in perception of cis-3-hexen-1-ol. Further steps required to identify genes and alleles that encode the different ability to perceive cis-3-hexen-1-ol are outlined.     

Effect of NO₂ concentration on dimethylnitronaphthalene yields and isomer distribution patterns from the gas-phase OH radical-initiated reactions of selected dimethylnaphthalenes

Dimethylnitronaphthalene (DMNN) formation yields from the reactions of 1,7- and 2,7- dimethylnaphthalene (DMN) with OH radicals were measured over the NO(2) concentration range 0.04-1.4 ppmv. The measured DMNN formation yields under conditions that the OH-DMN adducts reacted solely with NO(2) were 0.252 ± 0.094% for Σ1,7-DMNNs and 0.010 ± 0.005% for Σ2,7-DMNNs. 1,7-DM-5-NN was the major isomer formed, with a limiting high-NO(2) concentration yield of 0.212 ± 0.080% and with equal reactions of the adduct with NO(2) and O(2) occurring in air at 60 ± 39 ppbv of NO(2). The reactions of the OH-DMN adducts with NO(2) must therefore result in products other than DMNNs. Although the yields of the DMNNs are low, ≤0.3%, the DMNN (and ethylnitronaphthalene) profiles from chamber experiments match well with those observed in polluted urban areas under conditions where OH radical-initiated chemistry is dominant. Daytime OH radical and nighttime NO(3) radical reactions appear to account for the alkylnitronaphthalenes formed and their observed profiles under most urban atmospheric conditions, with profiles reflecting daytime OH chemistry modified by contributions from isomers formed by any NO(3) radical chemistry that had occurred. Since the formation yields and NO(2) dependencies for the formation of a number of alkylnitronaphthalenes have now been measured, the effect of NO(x) emissions control strategies on their atmospheric formation can be quantitatively assessed, and the decrease in formation of these genotoxic species may provide a previously unrecognized health benefit of NO(x) control.     

固相微萃取-气相色谱质谱联用分析花椒挥发性成分

研究不同加工方式下花椒香气的变化。以陕西韩城市产花椒为原料,利用固相微萃取-气相色谱质谱联用技术分析焙烤花椒和风干花椒中的挥发性成分。结果从焙烤花椒中共鉴定出48种挥发性成分,其中主要挥发性成分为α-蒎烯(4.14%)、6,6-二甲基-2-亚甲基-双环[3.1.1]庚烷(5.63%)、1-甲基-4-(1-甲乙基)-1,4-环己二烯(3.20%)、1,7,7-三甲基-三环[2.2.1.0(2,6)]庚烷(6.96%)、β-水芹烯(9.47%)、甲酸(8.50%)、3-蒈烯(3.62%)、3,7-二甲基-1,6-辛二烯-3-醇(3.09%)、4-甲基-1-(1-甲乙基)-3-环己烯-1-醇(5.34%)、α,α,4-三甲基-3-环己烯-1-甲醇(6.12%)、α-异戊酸松油酯(8.91%)、1,2,4α,5,8,8α-六氢-4,7-二甲基-1-(1-甲乙基)-萘(4.32%)、1-甲基-5-亚甲基-8-(1-甲乙基)-1,6-环癸二烯(5.07%);从风干花椒中共鉴定出49种挥发性成分,其中主要挥发性成分为α-蒎烯(3.38%)、6,6-二甲基-2-亚甲基-双环[3.1.1]庚烷(9.38%)、1-甲基-4-(1-甲乙基)-1,4-环己二烯(14.74%)、2-甲基-5-(1-甲乙基)-双环[3.1.0]己-2-醇(3.00%)、1,7,7-三甲基-三环[2.2.1.0(2,6)]庚烷(18.45%)、β-水芹烯(9.80%)、3,7,7-三甲基-双环[4.1.0]庚-3-烯(10.89%)、2,6-二甲基-2,4,6-辛三烯(3.37%)、3-蒈烯(3.11%)、cis-β-松油醇(5.30%)。焙烤花椒和风干花椒的挥发性成分有较大差别。     

Influence of provenance and roast degree on the composition of potent odorants in Arabica coffees

 Twenty-eight potent odorants were quantified by stable isotope dilution assays of medium-roasted Arabica coffee blends from Colombia (Col), Brazil (Bra), El Salvador (El) and Kenya (Ken) as well as the varieties Tipica (Tip) from Colombia and Caturra from the regions Pinas (Cat-P) and Quevedo (Cat-Q) in Ecuador. The blends from Col and Bra were similar in their composition of odorants. Ken contained higher amounts of 3-mercapto-3-methylbutylformate than Col and Bra, while 2-furfurylthiol, guaiacol and 4-ethylguaiacol were present in lower concentrations. El contained less 4-vinylguaiacol and 2-furfurylthiol, but more 3-methyl-2-buten-1-thiol. Tip, Cat-P and Cat-Q differed from Col, Bra and Ken in having lower amounts of 2,3-butanedione, 2,3-pentanedione and 4-hydroxy-2,5-dimethyl-3(2H)-furanone and higher contents of guaiacol, 3-mercapto-3-methylbutylformate and 3-methyl-2-buten-1-thiol. The largest amount of 2-furfurylthiol was found in Tip and Cat-P. The blends from Col and Ken and the variety Tip showed a significant increase of guaiacol, 4-ethylguaiacol and 3-methyl-2-buten-1-thiol when the roast degree was raised. 2-Furfurylthiol and 2(5)-ethyl-4-hydroxy-5(2)-methyl-3(2H)furanone increased only in Col and Ken, while in Tip the amounts of carbonyl compounds, 4-hydroxy-2,5-dimethyl-3(2H)furanone, methional and (E)-β-damascenone decreased during roasting from medium to dark. Received: 29 December 1998     

GC-MS法测定熏衣草精油的化学成分

利用超临界CO2萃取技术和水蒸气蒸馏法提取熏衣草精油，用GC-MS技术对其进行化学成分分析，分别鉴定出34种和29种化合物，占出峰物质总数的95．5l％和98．39％．两种精油成分主要区别在于乙酸薰衣草酯和乙酸芳樟酯的质量分数相差较大，且第五个主成分不同，分别为异丁酸叶醇酯和α-松油醇。