[Identification method of 2-methylisoborneol and geosmin in water by purge and trap-gas chromatography-mass spectrometry].

OBJECTIVE: To establishe an analysis and identification method for 2-methylisoborneol(2-MIB) and geosmin(GSM) in water using purge and trap-gas chromatography-mass spectrometry. METHODS: The samples were enriched and analyzed using a purge and trap system, followed by the separation on a DB-624(30 m×0.25 mm, 1.4 µm) chromatographic column. Quantification was performed using gas chromatography-mass spectrometry with the selected ion monitoring and internal standard calibration. RESULTS: The calibration curves for 2-MIB and GSM showed an excellent linearity in the range of 1 to 100 ng/L with R~2 values greater than 0.999. The detection limit and quantification limit for both 2-MIB and GSM were 0.33 ng/L and 1.0 ng/L, respectively. Spike recovery experiments were further carried on the source water and drinking water at three concentration levels. It showed that the average recoveries were from 82.0% to 111.0% for 2-MIB while 84.0% to 110% for GSM. Additionally, the test precision of 2-MIB and GSM ranged from 1.9% to 7.3% and 1.9% to 5.0%(n=6), respectively. The analysis of multiple samples including the local source water, treated water and distribution network water confirmed the existence of 2-MIB and GSM. CONCLUSION: Compared to the national standard(GB/T 5750.8-2023), the proposed method enables fully automated sample introduction and analysis without the extra pre-treatment. It provides the advantages of simplicity, good repeatability and high accuracy.

Impact of water quality parameters on geosmin levels and geosmin producers in European recirculating aquaculture systems.

AIMS: Geosmin is associated with off-flavour problems in recirculating aquaculture systems (RAS) and represents an economic problem for the aquaculture industry. This study aims at investigating factors influencing the composition of the bacterial microbiota, in particular the presence of geosmin producers and the environmental and farming factors favouring geosmin accumulation. METHODS AND RESULTS: Several water quality parameters were correlated to the composition of the microbiota with special emphasis on the presence of geosmin producers within 26 different RAS from four European countries. Three novel groups of geosmin-producing bacteria were quantified to identify potential correlations with geosmin concentration. CONCLUSIONS: The microbiome differed significantly between systems. However, phosphate levels, calcium levels and redox potential correlated to geosmin concentration in the water and the presence of the Actinomycetales geosmin-producers but not with the presence of other groups of geosmin-producing bacteria. Oxygen levels and conductivity were found to negatively correlate with geosmin concentration. A large proportion of the detected geosmin producers represented novel taxonomic groups not previously linked with this activity. SIGNIFICANCE AND IMPACT OF THE STUDY: These results improve our understanding of the diversity of microbiota in RAS and the water quality parameters favouring the populations of geosmin-producing bacteria and the production of geosmin.

Evaluation of the MIB-producing potential based on real-time qPCR in drinking water reservoirs.

Cyanobacteria release 2-methylisoborneol (MIB) as a secondary metabolite. Here, we propose a reverse transcription quantitative real-time PCR (RT-qPCR) based method to evaluate the MIB-producing potential in source water by detecting the MIB-synthesis gene (mic). A MIBQSF/R primer set was designed based on 35 mic gene sequences obtained from 12 pure-cultured MIB-producing strains and 23 sequences from the NCBI database. This primer set successfully identified all known 43 MIB-producing cyanobacterial strains (12 from this study and 31 from the NCBI database), belonging to different genera, showing a wider coverage than previous primer sets. The efficiency of the method was proved by the amplification efficiency (E = 91.23%), R2 of the standard curve (0.999), the limit of detection (LOD, 5.7 fg µL-1), and the limit of quantification (LOQ, 1.86 × 104 gene copies µL-1). Further, the method was verified by the correlation between the mic gene abundance and MIB concentration 50 field samples from different reservoirs (R2 = 0.614, p < 0.001) and one reservoir (R2 = 0.752, p < 0.001), suggesting its potential as an alternative warning tool to evaluate the risk of MIB problems in source water.

Occurrence and phylogenetic analysis of Pseudanabaena sp. producing 2-methylisoborneol in drinking water source of South Korea.

We investigated the abundance of Pseudanabaena species and the concentration of the monoterpene 2-methylisoborneol (2-MIB) from July to October at three sampling sites in South Korea. To identify the main cause of 2-MIB occurrence in drinking water source, we characterized and performed a phylogenetic analysis of the 2-MIB synthase gene. Pseudanabaena was the dominant cyanobacterium (68%-100%) among the samples. At all three sampling sites, a strong positive correlation was detected between 2-MIB concentrations and Pseudanabaena cell numbers. A phylogenetic analysis of 222 MIB sequences isolated from the water samples showed that all of the clones were affiliated with the Pseudanabaena MIB synthase gene, demonstrating that the 2-MIB in the Han River drinking water source was produced by Pseudanabaena sp. Using a clone of the 2-MIB gene, network-based analysis and unweighted pair group method with arithmetic mean analysis were used to examine temporal and spatial variation in the 2-MIB concentration and Pseudanabaena abundance. The network analysis showed greater temporal than spatial similarity among the 2-MIB gene clones. Together, our results demonstrate that Pseudanabaena was the main producer of 2-MIB. These findings provide important information for odour management in drinking water source.

Quantitative PCR based detection system for cyanobacterial geosmin/2-methylisoborneol (2-MIB) events in drinking water sources: Current status and challenges.

Taste and odor (T&O) are an important issue in drinking water, aquaculture, recreation and a few other associated industries, and cyanobacteria-relevant geosmin and 2-methylisoborneol (2-MIB) are the two most commonly detected T&O compounds worldwide. A rise in the cyanobacterial blooms and associated geosmin/2-MIB episodes due to anthropogenic activities as well as climate change has led to global concerns for drinking water quality. The increasing awareness for the safe drinking, aquaculture or recreational water systems has boost the demand for rapid, robust, on-site early detection and monitoring system for cyanobacterial geosmin/2-MIB events. In past years, research has indicated quantitative PCR (qPCR) as one of the promising tools for detection of geosmin/2-MIB episodes. It offers advantages of detecting the source organism even at very low concentrations, distinction of odor-producing cyanobacterial strains from non-producers and evaluation of odor producing potential of the cyanobacteria at much faster rates compared to conventional techniques.The present review aims at examining the current status of developed qPCR primers and probes in identifying and detecting the cyanobacterial blooms along with geosmin/2-MIB events. Among the more than 100 articles about cyanobacteria associated geosmin/2-MIB in drinking water systems published after 1990, limited reports (approx. 10 each for geosmin and 2-MIB) focused on qPCR detection and its application in the field. Based on the review of literature, a comprehensive open access global cyanobacterial geosmin/2-MIB events database (CyanoGM Explorer) is curated. It acts as a single platform to access updated information related to origin and geographical distribution of geosmin/2-MIB events, cyanobacterial producers, frequency, and techniques associated with the monitoring of the events. Although a total of 132 cyanobacterial strains from 21 genera and 72 cyanobacterial strains from 13 genera have been reported for geosmin and 2-MIB production, respectively, only 58 geosmin and 28 2-MIB synthesis regions have been assembled in the NCBI database. Based on the identity, geosmin sequences were found to be more diverse in the geosmin synthase conserved/primer design region, compared to 2-MIB synthesis region, hindering the design of universal primers/probes. Emerging technologies such as the bioelectronic nose, Surface Enhanced Raman Scattering (SERS), and nanopore sequencing are discussed for future applications in early on-site detection of geosmin/2-MIB and producers. In the end, the paper also highlights various challenges in applying qPCR as a universal system of monitoring and development of response system for geosmin/2-MIB episodes.

Molecular cloning and functional identification of a high-efficiency (+)-borneol dehydrogenase from Cinnamomum camphora (L.) Presl.

Cinnamomum camphora (L.) Presl, rich in terpenoids, is an important commercial plant. The monoterpenes borneol and camphor are highly desired compounds that have been widely and diversely used in medicine and spices since ancient times. However, the key enzymes in the biosynthetic pathway of borneol and camphor in C. camphora remains unknown, which limits access to these natural products. Here, the chirality of borneol and camphor were identified in C. camphora leaves. Besides the main (+)-borneol and (+)-camphor, C. camphora also contains small amounts of (-)-borneol and (-)-camphor. Then, CcBDH3 - an efficient (+)-borneol dehydrogenase (BDH) - was identified that catalyzed (+)-borneol into (+)-camphor in the presence of NAD+. The Km value was 25.1 µM with a kcat value of 5.4 × 10-3 s-1 at pH 8.5 and 30 °C. CcBDH3, which also yields (-)-camphor from (-)-borneol as a substrate, had a Km value of 36.9 µM with a kcat of 2.1 × 10-3 s-1, and pH of 8.0 and temperature of 32 °C. We further compared the conformational specificity of two other reported BDHs, ZSD1 and ADH2, and found that ZSD1 had the highest conversion rate with (-)-borneol. These findings provide a new way for the production of camphor with various optical activities by metabolic engineering, and the identified camphor biosynthesis pathway provides the foundation for using genetic engineering to improve the production and purity of (+)-borneol in planta.

Profiling and characterization of odorous volatile compounds from the industrial fermentation of erythromycin.

Complaints caused by odors from the fermentation production of pharmaceuticals are common in China. The elimination of odor remains a challenge for the pharmaceutical industry to meet the increasingly strict environment regulations. Erythromycin is a representative antibiotic produced by microbial fermentation. The fermentation exhaust gas of erythromycin fermentation has an unpleasant odor, but the composition of the key odorants has not been identified. The major odorants from the fermentation production of erythromycin API were analyzed by electronic nose, olfactory measurements, gas chromatography-coupled ion mobility spectrometry (GC-IMS) and gas chromatography-mass spectrometry (GC-MS) analysis. Two compounds, 2-methylisoborneol (2-MIB) and geosmin, were identified as the major odorants of erythromycin fermentation. These had not been detected before using only GC-MS analysis of exhaust gas. Aldehydes, including hexanal, octanal, decanal, and benzaldehyde, also contribute to the odor. The composition analysis of odorants using the fermentation broth headspace was more efficient and reliable, considering the significant dilution effect of exhaust gas. The concentration of 2-MIB and geosmin in the fermentation broth greatly exceeded their odor thresholds. The production of major odorants started in the early fermentation stage and became significant in the middle stage (30-70 h). Due to the extremely low odor thresholds of 2-MIB and geosmin, advanced purification may require deodorization of erythromycin fermentation exhaust gas.

Dynamic changes of the main active constituents in valerian rhizome and root (Valeriana amurensis Smir. ex Kom.) during different harvest periods / Cambios dinámicos de los principales constituyentes activos del rizoma y raíz valeriana (Valeriana amurensis Smir. Ex Kom.) durante diferentes períodos de cosecha

Valeriana amurensis Smir. ex Kom. widely distributed in the northeast region of China and some region in Russia and Korea, and its underground parts (roots and rhizomes) being used to cure nervous system diseases such as insomnia. The active components including the essential oil and iridoids of underground parts were investigated in different harvest periods in order to evaluate the quality for the roots and rhizomes of V. amurensis. The content of the essential oil was obtained by hydrodistillation and bornyl acetate in the oil was quantitated by GC-EI. The iridoids, valepotriates were determined by potentiometric titration and the main component, valtrate was quantitated by HPLC-UV. The factors of biomass were considered in the determination of collection period. Statistical analysis of results showed that, the highest content of the essential oil per plant was 22.69 µl in withering period and then 21.58 µl in fruit ripening period, while the highest contents of bornyl acetate, valepotriates and valtrate per plant were 2.82 mg, 31.90 mg and 0.98 mg in fruit ripening period separately. Fruit ripening period was decided as the best harvest period for the content of active constituents and output of drug, and it would provide scientific basis for the artificial cultivation of V. amurensis.

Valeriana amurensis Smir. ex Kom. Se distribuye ampliamente en la región noreste de China y en algunas regiones de Rusia y Corea, y sus partes subterráneas (raíces y rizomas) se utilizan para curar enfermedades del sistema nervioso como el insomnio. Se investigaron los componentes activos, incluidos el aceite esencial y los iridoides de las partes subterráneas de V. amurensis en diferentes períodos de cosecha para evaluar la calidad de las raíces y rizomas. El contenido del aceite esencial se obtuvo mediante hidrodestilación y el acetato de bornilo en el aceite se cuantificó por GC-EI. Los iridoides, valepotriatos se determinaron mediante valoración potenciométrica y el componente principal, el valtrato se cuantificó por HPLC-UV. Los factores de biomasa fueron considerados en la determinación del período de recolección. El análisis estadístico de los resultados mostró que el mayor contenido de aceite esencial por planta fue de 22,69 µl en el período de marchitación y luego de 21,58 µl en el período de maduración de la fruta, mientras que el mayor contenido de acetato de bornilo, valepotriatos y valtrato por planta fue de 2.82 mg, 31.90 mg y 0,98 mg, respectivamente, en el período de maduración de la fruta por separado. Se definió el período de maduración de la fruta como el mejor período de cosecha para el contenido de constituyentes activos y la producción de droga, lo cual proporcionaría una base científica para el cultivo artificial de V. amurensis.

Evaluation of Isobornyl Acrylate Content in Medical Devices for Diabetes Treatment.

Background: Along with increased usage of continuous glucose monitors, flash glucose monitors, and patch pumps by patients with diabetes, the frequency of skin reactions has also increased. Skin irritation and itching can be annoying to users. However, more serious contact allergies to one or more components of the adhesives or plastic material of the housing of the devices can become lifelong. Redness and itchiness are so strong that patients can no longer use a particular system. In August 2017, a major culprit allergen, isobornyl acrylate (IBOA), was identified for these more serious reactions. Objectives: Our objective was to evaluate IBOA content in different medical products. Methods: The plastic material used for the housing of the Freestyle Libre (n = 3), Dexcom G6 (n = 3), and Enlite (n = 4) was analyzed for IBOA content by gas chromatography-mass spectrometry. Adhesives of the different systems were also analyzed. Results: IBOA was found in the housings of Freestyle Libre and Enlite sensor, but not in the Dexcom G6. Conclusions: Patients with an IBOA allergy should consider switching to a medical product without IBOA. Furthermore, removal of IBOA from devices that contact the skin is encouraged.

A fluorescence-displacement assay using molecularly imprinted polymers for the visual, rapid, and sensitive detection of the algal metabolites, geosmin and 2-methylisoborneol.

A visual, rapid, and sensitive method for the detection of two algal metabolites, geosmin (GSM) and 2-methylisoborneol (2-MIB) using a competitive displacement technique based on molecular imprinted polymers (MIPs) and fluorescent tags was developed. In this method, fluorescent tags that bind to synthetic receptor sites of MIPs were designed and synthesised. In the presence of target analytes (geosmin and 2-methylisoborneol respectively), the tags are displaced leading to fluorescence signals. The MIPs were derived from the polymerisation of functional monomers and crosslinkers in the presence of suitable templates. Good to high binding capacities and selectivities were obtained with the MIPs. The displacement of fluorescent-tagged substrates from the respective MIPs by the target analytes enabled the quantitative detection of geosmin at concentrations as low as 0.38 µM (69 µg L-1), while the LOD for 2-methylisoborneol is 0.29 µM (48 µg L-1) without any cross-reactivity, non-specific (false-positive) binding, and matrix complications. Qualitative detection of geosmin and 2-methylisoborneol is also possible via visualisation of fluorescence using a hand held UV lamp, with LOD for geosmin and 2-methylisoborneol at 0.44 µM (80 µg L-1) and 0.35 µM (60 µg L-1), respectively. The sensitivity of the system can be improved with a pre-concentration step using the respective MIPs as a sorbent.

Chemical diversity of the essential oils of twenty populations of Tanacetum polycephalum Sch. Bip. from Iran.

Chemical diversity of the essential oils of twenty wild populations of Tanacetum polycephalum Sch. Bip., was investigated. The aerial parts of T. polycephalum were collected at full flowering stage from West Azerbaijan Province of Iran, air-dried; hydrodistilled to produce essential oils. The essential oils were analyzed by GC-FID and GC-MS. A total of forty compounds were identified accounting for 96.4-99.9% of the total oils. The most principal compounds were cis-thujone (0-82.3%), trans-thujone (0-79.8%), camphor (1.3-75.0%), 1,8-cineole (4.5-43.3%), borneol (1.0-36.2%) and bornyl acetate (0-26.8%). Hierarchical cluster analysis based on the percentages (>0.5%) of the essential oils components was carried out to determine the chemical diversity among the populations studied. The cluster analysis resulted in the identification of four main chemotypes namely: 'camphor + 1,8-cineole', 'mixed', 'cis-thujone' and 'trans-thujone'.

Metabolite identification of tanshinol borneol ester in rats by high-performance liquid chromatography combined with electrospray ionization quadrupole time-of-flight mass spectrometry.

Tanshinol borneol ester (DBZ) is a potential drug candidate composed of danshensu and borneol. It shows anti-ischemic and anti-atherosclerosis activity. However, little is known about its metabolism in vivo. This research aimed to elucidate the metabolic profile of DBZ through analyzing its metabolites using high-performance liquid chromatography combined with electrospray ionization quadrupole time-of-flight mass spectrometry. Chromatographic separation was performed on an Agilent TC-C18 column (150 × 4.6 mm, 5.0 µm) with gradient elution using methanol and water containing 0.2% (v/v) formic acid as the mobile phase. Metabolite identification involved analyzing the retention behaviors, changes in molecular weights and MS/MS fragment patterns of DBZ and its metabolites. As a result, 20 potential metabolites were detected and tentatively identified in rat plasma, urine and feces after administration of DBZ. DBZ could be metabolized to O-methylated DBZ, DBZ-O-glucuronide, O-methylated DBZ-O-glucuronide, hydroxylated DBZ and danshensu. Danshensu, a hydrolysis product of DBZ, could further be transformed into 12 metabolites. The proposed method was confirmed to be a reliable and sensitive alternative for characterizing metabolic pathways of DBZ and providing valuable information on its druggability.

The relationships between odors and environmental factors at bloom and non-bloom area in Lake Taihu, China.

Lake Taihu has been experiencing taste and odor (T&O) events recently. And for the purpose of seeking the environmental factors having great influences on T&O compounds and supplying theory information for preventing the occurrence of T&O problems, Redundance analysis (RDA) was conducted for the dissolved and particle-bound forms of T&O compounds. And the whole lake was divided into the blooming and non-blooming areas. Results indicated that environmental factors, including biotic and abiotic factors, made great contributions to the variation of T&O compounds in Lake Taihu. The key biotic factors included Microcystis, Oscillatoria and chlorophyll-a. Microcystis made great contribution of these compounds in the blooming area and had close relationship with those particulate forms of odorants in Taihu. Oscillatoria made great and absolute contribution to odorants in the non-blooming area. Chlorophyll-a influenced greatly the odorants in the blooming area and had significant relationship with the particle-bound fractions in the whole lake. Dissolved oxygen and water temperature were the dominant abiotic factors with large contributions.

Identification of objectionable flavors in purported spontaneous oxidized flavor bovine milk.

Spontaneous oxidized flavor (SOF) has been reported over the past 5 decades as a sporadic objectionable flavor problem in bovine milk. Parameters previously reported to influence SOF development in milk have been contradictory, limiting the ability to monitor and develop mitigation strategies. The current paper investigates the causative compounds associated with milk identified as SOF milk in the Midwest dairy region of the United States. Based on GC/MS-olfactometry analysis, endo-borneol, 2-methylisoborneol, and α-terpineol were identified as the off-flavor compounds. Sensory recombination studies further confirmed the sensory contribution of these compounds to the noted off-flavor attributes in the original milk, which were described as "green," "musty," and "unclean." These compounds are known microbial-derived flavor taints, indicating oxidation was not the origin of the objectionable flavor in the milk. This noted misclassification of the milk as SOF indicates the challenge of defining flavor defects without the identification of the active compounds.

Rapid detection of taste and odor compounds in water using the newly invented chemi-ionization technique coupled with time-of-flight mass spectrometry.

Taste and odor (T&O) compounds are widespread in water environments and have attracted considerable public attention. Nowadays, the standard detections of these chemicals rely mainly on off-line methods such as GC-MS or evaluation by trained analysts' senses. In this study, we report a method for the rapid detection of T&O compounds in water by exploiting a newly invented chemi-ionization source, in combination with headspace vapor measurement at room temperature. The calibrated limits of detection (LODs) of 2-methylbutyraldehyde, methyl tert-butyl ether (MTBE), methyl methacrylate (MMA), 2-isobutyl-3-methyoxypyrazine (IBMP), and 2-isopropyl-3-methoxypyrazine (IPMP) are in the range of 3.5-50.2 ng L-1, and the estimated LODs of 2-methylisoborneol (2-MIB) and geosmin (GSM) are 0.25 and 0.77 ng L-1, respectively. The calibration results reveal that the instrumental LODs for 2-methylbutyraldehyde, MTBE, MMA, ß-cyclocitral, 2-MIB, and GSM are 1-2 orders of magnitude better than the odor thresholds of humans. The accuracy, precision, recovery, and linearity (R2) of the method are tested. Water samples from city tap water and three rivers in Beijing are assessed using this technique, and the typical T&O compositions are observed with concentrations ranging from 0.2 to 297 ng L-1. The new ultra-sensitive rapid detection method shows comparable sensitivities to the existing off-line technique and displays great potential for real-time detection of T&O pollution in water environments.

The predominant phytoplankton of Pseudoanabaena holding specific biosynthesis gene-derived occurrence of 2-MIB in a drinking water reservoir.

With the increasing occurrence of water eutrophication and blooms, earthy-musty odor problems caused by cyanobacteria have been more and more apparent. These problems have a serious impact on aquatic ecosystems and drinking water safety and become one of the priorities of the water environment researches and managements. In the present study, genes associated with 2-MIB synthesis in cyanobacteria were studied by systematic investigation on molecular characterization and quantity of 2-MIB-producing cyanobacteria in China. Our results founded that Pseudoanabaena is an important 2-MIB-producing phytoplankton and predominant in summer in Qingcaosha reservoir, and the copy number of mic and 2-MIB concentration have strongly positive correlation. We also demonstrated that abundance of mic in water was significant correlation with that in sediment. These results will help us to understand the main taxa of the odoriferous cyanobacteria in the water bodies in China, understand the genetic basis of the odor substances in the cyanobacteria. Rapid, reliable monitoring and ecological research methods for the production of odor cyanobacteria in water bodies can be established based on these results.

Investigation of borneols sold in Taiwan by chiral gas chromatography.

Borneol is a monoterpene that is widely used in traditional Chinese medicine. There are two different products sold in Taipei's traditional Chinese medicine market, natural and chemically synthesized borneol. Chemically synthesized borneol contains four stereoisomers, (+)-isoborneol, (-)-isoborneol, (-)-borneol, and (+)-borneol. The ratio of these four isomers in chemically synthesized and natural borneol products was determined by gas chromatography mass spectrometry. A huge variation between these products is highlighted in this survey. The results suggest that the Food and Drug Administrations in Asian countries should establish a regulatory standard regarding the ratio of the four different borneol isomers in both natural and chemically synthesized borneol.

Essential oil composition of aerial parts of Micromeria persica Boiss. from Western of Shiraz, Iran.

Micromeria persica Boiss. is medicinal and aromatic plant, belonging to the Lamiaceae family. The chemical composition of the essential oils (EOs) from aerial parts of M. persica were extracted using hydro-distillation method and analysed using GC and GC-MS. Fifty-two compounds were identified in the EOs of aerial parts of M. persica. The main chemical compositions were n-hexadecanoic acid (14.9%), thymol (9.5%), linoleic acid (8.0%), carvacrol (5.6%), (E)-nerolidol (5.5%), linolenic acid (5.5%), α-cadinol (2.7%), linalool (2.7%), borneol (2.6%), caryophyllene oxide (2.3%) and pulegone (2.0%). Presence of borneol, thymol, carvacrol and pulegone suggests the potential of this plant as a flavouring source in the food industry, being used in perfumery and cosmetics industry, vitamin E synthesis and exhibit strong fungicidal, antibacterial and antimicrobial activities.

Chemical composition and α-amylase inhibitory activity of the essential oil from Sabina chinensis cv. Kaizuca leaves.

Sabina chinensis cv. Kaizuca (SCK) is a variant of S. chinensis L. The essential oil from its leaves exhibited α-amylase inhibitory activity in vitro and the IC50 value was 187.08 ± 0.56 µg/mL. Nineteen compounds were identified from this essential oil by gas chromatography-mass spectrometry (GC-MS) analysis. The major compounds identified were bornyl acetate (42.6%), elemol (20.5%), ß-myrcene (13.7%) and ß-linalool (4.0%). In order to study the reason of the α-amylase inhibitory activity of this essential oil, the identified compounds were docked with α-amylase by molecular docking individually. Among these compounds, γ-eudesmol exhibited the lowest binding energy (-6.73 kcal/mol), followed by α-copaen-11-ol (-6.66 kcal/mol), cubedol (-6.39 kcal/mol) and α-acorenol (-6.12 kcal/mol). The results indicated that these compounds were the active ingredients responsible for the α-amylase inhibitory activity of essential oil from SCK.

Molecular differentiation of five Cinnamomum camphora chemotypes using desorption atmospheric pressure chemical ionization mass spectrometry of raw leaves.

Five chemotypes, the isoborneol-type, camphora-type, cineole-type, linalool-type and borneol-type of Cinnamomum camphora (L.) Presl have been identified at the molecular level based on the multivariate analysis of mass spectral fingerprints recorded from a total of 750 raw leaf samples (i.e., 150 leaves equally collected for each chemotype) using desorption atmospheric pressure chemical ionization mass spectrometry (DAPCI-MS). Both volatile and semi-volatile metabolites of the fresh leaves of C. camphora were simultaneously detected by DAPCI-MS without any sample pretreatment, reducing the analysis time from half a day using conventional methods (e.g., GC-MS) down to 30 s. The pattern recognition results obtained using principal component analysis (PCA) was cross-checked by cluster analysis (CA), showing that the difference visualized by the DAPCI-MS spectral fingerprints was validated with 100% accuracy. The study demonstrates that DAPCI-MS meets the challenging requirements for accurate differentiation of all the five chemotypes of C. camphora leaves, motivating more advanced application of DAPCI-MS in plant science and forestry studies.