Triterpenoids and Other Non-Polar Compounds in Leaves of Wild and Cultivated Vaccinium Species

The purpose of the current study was to identify and quantify triterpenoids and other non-polar compounds in the leaves of three high bush blueberry cultivars (Vaccinium corymbosum L. var. Bluegold, var. Bluecrop and var. Elliott) and three natural populations of Vaccinium species (Vaccinium uliginosum L., Vaccinium myrtillus L. and Vaccinium vitis-idaea L.) by means of gas chromatography mass spectrometry (GC-MS) and high-performance liquid chromatography with diode array detector (HPLC-DAD). Metabolite profiles differed significantly among the Vaccinium species analyzed, as well as among the populations of the same species. The populations of V. vitis-idaea predominantly contained relative concentrations of phytosterols (varying between 10.48% of total ion current (TIC) and 22.29% of TIC) and almost twice the content of triterpenes (from 29.84% of TIC to 49.62% of TIC) of the other berry species investigated. The leaves of V. corymbosum varieties biosynthesized the highest relative amount of fatty acids, while the leaves of the populations of V. uliginosum had the highest relative concentrations of fatty alcohols. The results of principal component analysis (PCA) and hierarchical cluster analysis (HCA) showed that the diverse populations of each berry species analyzed differed from each other, most likely due to variations in the climatic and geographical conditions of their localities.

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Effects of Gender and Geographical Origin on the Chemical Composition and Antiradical Activity of Baccharis myriocephala and Baccharis trimera

Foods ◽

10.3390/foods9101433 ◽

2020 ◽

Vol 9 (10) ◽

pp. 1433

Author(s):

Suzana Struiving ◽

Ana Carolina Mendes Hacke ◽

Edésio Luiz Simionatto ◽

Dilamara Riva Scharf ◽

Cláudia Vargas Klimaczewski ◽

...

Keyword(s):

Chemical Composition ◽

Ethyl Acetate ◽

Essential Oils ◽

Antiradical Activity ◽

Principal Component ◽

Hierarchical Cluster ◽

Gas Chromatography Mass Spectrometry ◽

Array Detector ◽

Chemical Compositions ◽

Baccharis Trimera

This study aimed to characterize and compare essential oils and ethyl acetate fractions obtained in basic and acidic conditions from both male and female Baccharis species (Baccharis myriocephala and Baccharis trimera) from two different Brazilian regions. Samples were characterized according to their chemical compositions and antiradical activity by 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) assays. Principal component analysis (PCA) provided a clear separation regarding the chemical composition of essential oils from the samples obtained from different regions by using gas chromatography–mass spectrometry with flame-ionization detection (GC-MS-FID). PCA also revealed that gender and region of plant collections did not influence the chemical composition and antiradical activity of ethyl acetate fractions, which was corroborated with hierarchical cluster analysis (HCA) data. High performance liquid chromatography with diode-array detector (HPLC-DAD) identified significant quantities of flavonoids and phenolic acids in the fractions obtained in basic and acidic fractions, respectively. The obtained results clearly demonstrated that the geographical region of plant collection influenced the chemical composition of essential oils from the studied Baccharis species. Moreover, the obtained fractions were constituted by several antiradical compounds, which reinforced the usage of these species in folk medicine.

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Carotenoids, Fatty Acids, and Volatile Compounds in Apricot Cultivars from Romania—A Chemometric Approach

Antioxidants ◽

10.3390/antiox9070562 ◽

2020 ◽

Vol 9 (7) ◽

pp. 562

Author(s):

Adela Pintea ◽

Francisc Vasile Dulf ◽

Andrea Bunea ◽

Sonia Ancuța Socaci ◽

Elena Andreea Pop ◽

...

Keyword(s):

Mass Spectrometry ◽

Fatty Acids ◽

High Performance ◽

Atmospheric Pressure Chemical Ionization ◽

Principal Component ◽

Gas Chromatography Mass Spectrometry ◽

Carotenoid Content ◽

Array Detector ◽

Fatty Acids Profile ◽

Pressure Chemical Ionization

Lipophilic constituents are important for the color and aroma of apricots, but also for their health benefits. In the present study, carotenoids, fatty acids, and volatiles were analyzed in 11 apricot cultivars, from which nine were obtained in Romania. High performance liquid chromatography coupled to a diode array detector with atmospheric pressure chemical ionization and mass spectrometry (HPLC-DAD-APCI-MS methodology applied on unsaponified carotenoid extracts allowed the identification and quantification of 19 compounds. The predominant carotenoids in all cultivars were all-trans-β-carotene and its cis isomers. Lutein was present exclusively in non-esterified form, while β-cryptoxanthin was predominantly esterified, mainly with oleic, palmitic, lauric, and stearic acid. Moreover, β-cryptoxanthin linoleate, linolenate, and stearate were detected for the first time in Harogem cultivar. Variation in carotenoid content and composition was observed, with the highest carotenoid content being recorded in Tudor, Harogem, and Mamaia cultivars. The predominant fatty acids determined by gas chromatography–mass spectrometry (GC-MS) were linoleic (up to 47%), palmitic (up to 32.7%), and linolenic (up to 17.16%), with small variations among cultivars. In-tube extraction technique (ITEX)/GC-MS was applied for profiling the volatiles in apricot fruits and 120 compounds were identified, with terpenoids and esters as the most abundant classes. Principal component analysis (PCA) revealed that the carotenoids and the fatty acids profile can be used for variety authentication and discrimination in apricots.

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Quantitative Determination of Marker Compounds and Fingerprint Analysis of the Seeds of Vernonia anthelmintica

International Journal of Analytical Chemistry ◽

10.1155/2020/8859425 ◽

2020 ◽

Vol 2020 ◽

pp. 1-12

Author(s):

Zulipiya Maimaiti ◽

Ablajan Turak ◽

Qing Ling Ma ◽

Geyu Liu ◽

Haji Akbar Aisa

Keyword(s):

High Performance ◽

Skin Diseases ◽

Principal Component ◽

Hierarchical Cluster ◽

Scientific Basis ◽

Array Detector ◽

Chemical Fingerprint ◽

Gastrointestinal Problems ◽

Vernonia Anthelmintica

In traditional Chinese medicine, the seeds of Vernonia anthelmintica (L.) Willd. have been widely used for treatment of cough, skin diseases, diarrhea, fever, schistosomiasis, amoebic dysentery, and gastrointestinal problems, especially in the treatment of vitiligo for thousands of years in China. In this study, an effective, reliable, and accurate high-performance liquid chromatography diode array detector (HPLC-DAD) method was developed for quantitative analysis of 3 marker bioactive compounds and chemical fingerprint of the seeds of V. anthelmintica. Data corresponding to common peak areas and HPLC chromatographic fingerprints were analyzed by exploratory hierarchical cluster analysis (HCA) and principal component analysis (PCA) to extract information of the most significant variables contributing to characterization and classification of the analyzed samples. Based on variety and origin, the high-performance thin layer chromatography (HPTLC) method validated the chemical fingerprint results used to screen the in vitro antioxidant activity of V. anthelmintica. The results show that the developed method has potential application values for the quality consistency evaluation and identification of similar instant V. anthelmintica samples. When considered collectively, this research results provide a scientific basis for the improvement of standardization and specification of V. anthelmintica medicinal materials and provide a pathway for the development and utilization of references for the identification of V. anthelmintica herbs.

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Bioproducts characterization of residual periphytic biomass produced in an algal turf scrubber (ATS) bioremediation system

Water Science & Technology ◽

10.2166/wst.2020.343 ◽

2020 ◽

Vol 82 (6) ◽

pp. 1247-1259

Author(s):

Maiara P. de Souza ◽

Tiele M. Rizzetti ◽

Michele Hoeltz ◽

Mainara Dahmer ◽

João A. Júnior ◽

...

Keyword(s):

Inductively Coupled Plasma ◽

High Performance ◽

Optical Emission ◽

Algal Turf ◽

Gas Chromatography Mass Spectrometry ◽

Emission Spectrometry ◽

Inorganic Analysis ◽

Array Detector ◽

Algal Turf Scrubber ◽

Social Gain

Abstract The transformation of residual biomass from bioremediation processes into new products is a worldwide trend driven by economic, environmental and social gain. The present study aimed to evaluate the potential for obtaining bioproducts of technological interest from the remaining periphytic biomass formed during a bioremediation process with an algal turf scrubber (ATS) system installed in a lake catchment. Different methodologies were used according to the target bioproduct. Analyses were performed by high performance liquid chromatography with diode array detector (HPLC/DAD), gas chromatography mass spectrometry (GC-MS), ultraviolet–visible spectroscopy (UV-VIS) and inductively coupled plasma optical emission spectrometry (ICP-OES). The results demonstrated that the periphytic biomass presented potential since protein (17.7%), carbohydrates (22.4%), total lipids (3.3%) with 3.6 mg mL−1 of fatty acids, antioxidants (144.5 μmol Trolox eq. g−1) and chlorophyll a, chlorophyll b and carotenoids (1,719.7 μg mL−1, 541.2 μg mL−1 and 317.7 μg mL−1, respectively) were obtained. Inorganic analysis presented a value of 42.3 ± 2.58% of total ash and metal presence was detected, indicating bioaccumulation. The properties found in periphyton strengthen the possibility of its application in different areas, ensuring bioremediation efficiency.

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Discrimination of the Geographical Origin of the Lateral Roots of Aconitum carmichaelii Using the Fingerprint, Multicomponent Quantification, and Chemometric Methods

Molecules ◽

10.3390/molecules24224124 ◽

2019 ◽

Vol 24 (22) ◽

pp. 4124 ◽

Cited By ~ 3

Author(s):

Lu-Lin Miao ◽

Qin-Mei Zhou ◽

Cheng Peng ◽

Chun-Wang Meng ◽

Xiao-Ya Wang ◽

...

Keyword(s):

High Performance ◽

Geographical Origin ◽

Lateral Roots ◽

Principal Component ◽

Hierarchical Cluster ◽

Similarity Analysis ◽

Diterpenoid Alkaloids ◽

Linear Discriminant ◽

Hplc Fingerprint ◽

Aconitum Carmichaelii

Fuzi is a well-known traditional Chinese medicine developed from the lateral roots of Aconitum carmichaelii Debx. It is rich in alkaloids that display a wide variety of bioactivities, and it has a strong cardiotoxicity and neurotoxicity. In order to discriminate the geographical origin and evaluate the quality of this medicine, a method based on high-performance liquid chromatography (HPLC) was developed for multicomponent quantification and chemical fingerprint analysis. The measured results of 32 batches of Fuzi from three different regions were evaluated by chemometric analysis, including similarity analysis (SA), hierarchical cluster analysis (HCA), principal component analysis (PCA), and linear discriminant analysis (LDA). The content of six representative alkaloids of Fuzi (benzoylmesaconine, benzoylhypaconine, benzoylaconine, mesaconitine, hypaconitine, and aconitine) were varied by geographical origin, and the content ratios of the benzoylmesaconine/mesaconitine and diester-type/monoester-type diterpenoid alkaloids may be potential traits for classifying the geographical origin of the medicine. In the HPLC fingerprint similarity analysis, the Fuzi from Jiangyou, Sichuan, was distinguished from the Fuzi from Butuo, Sichuan, and the Fuzi from Yunnan. Based on the HCA and PCA analyses of the content of the six representative alkaloids, all of the batches were classified into two categories, which were closely related to the plants’ geographical origins. The Fuzi samples from Jiangyou were placed into one category, while the Fuzi samples from Butuo and Yunnan were put into another category. The LDA analysis provided an efficient and satisfactory prediction model for differentiating the Fuzi samples from the above-mentioned three geographical origins. Thus, the content of the six representative alkaloids and the fingerprint similarity values were useful markers for differentiating the geographical origin of the Fuzi samples.

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Chemical Fingerprint of ‘Oblačinska’ Sour Cherry (Prunus cerasus L.) Pollen

Biomolecules ◽

10.3390/biom9090391 ◽

2019 ◽

Vol 9 (9) ◽

pp. 391 ◽

Cited By ~ 1

Author(s):

Fotirić Akšić ◽

Gašić ◽

Dabić Zagorac ◽

Sredojević ◽

Tosti ◽

...

Keyword(s):

High Performance ◽

Amperometric Detection ◽

Principal Component ◽

Sour Cherry ◽

Anion Exchange Chromatography ◽

Exchange Chromatography ◽

Array Detector ◽

Coumaric Acid ◽

Chemical Fingerprint ◽

High Level

The aim of this research was to analyze sugars and phenolics of pollen obtained from 15 different ‘Oblačinska’ sour cherry clones and to assess the chemical fingerprint of this cultivar. Carbohydrate analysis was done using high-performance anion-exchange chromatography (HPAEC) with pulsed amperometric detection (PAD), while polyphenols were analyzed by ultra-high-performance liquid chromatography–diode array detector–tandem mass spectrometry (UHPLC-DAD MS/MS) system. Glucose was the most abundant sugar, followed by fructose and sucrose. Some samples had high level of stress sugars, especially trehalose. Rutin was predominantly polyphenol in a quantity up to 181.12 mg/kg (clone III/9), with chlorogenic acid (up to 59.93 mg/kg in clone III/9) and p-coumaric acid (up to 53.99 mg/kg in clone VIII/1) coming after. According to the principal component analysis (PCA), fructose, maltose, maltotriose, sorbitol, and trehalose were the most important sugars in separating pollen samples. PCA showed splitting off clones VIII/1, IV/8, III/9, and V/P according to the quantity of phenolics and dissimilar profiles. Large differences in chemical composition of studied ‘Oblačinska sour cherry’ clone pollen were shown, proving that it is not a cultivar, but population. Finally, due to the highest level of phenolics, clones IV/8, XV/3, and VIII/1 could be singled out as a promising one for producing functional food and/or in medicinal treatments.

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Evaluation of Volatile Metabolites Emitted In-Vivo from Cold-Hardy Grapes during Ripening Using SPME and GC-MS: A Proof-of-Concept

Molecules ◽

10.3390/molecules24030536 ◽

2019 ◽

Vol 24 (3) ◽

pp. 536 ◽

Cited By ~ 4

Author(s):

Somchai Rice ◽

Devin Maurer ◽

Anne Fennell ◽

Murlidhar Dharmadhikari ◽

Jacek Koziel

Keyword(s):

Solid Phase ◽

Principal Component ◽

Hierarchical Cluster ◽

Temporal Variations ◽

Grape Berry ◽

Wine Industry ◽

Gas Chromatography Mass Spectrometry ◽

Cold Hardy ◽

Non Destructive

In this research, we propose a novel concept for a non-destructive evaluation of volatiles emitted from ripening grapes using solid-phase microextraction (SPME). This concept is novel to both the traditional vinifera grapes and the cold-hardy cultivars. Our sample models are cold-hardy varieties in the upper Midwest for which many of the basic multiyear grape flavor and wine style data is needed. Non-destructive sampling included a use of polyvinyl fluoride (PVF) chambers temporarily enclosing and concentrating volatiles emitted by a whole cluster of grapes on a vine and a modified 2 mL glass vial for a vacuum-assisted sampling of volatiles from a single grape berry. We used SPME for either sampling in the field or headspace of crushed grapes in the lab and followed with analyses on gas chromatography-mass spectrometry (GC-MS). We have shown that it is feasible to detect volatile organic compounds (VOCs) emitted in-vivo from single grape berries (39 compounds) and whole clusters (44 compounds). Over 110 VOCs were released to headspace from crushed berries. Spatial (vineyard location) and temporal variations in VOC profiles were observed for all four cultivars. However, these changes were not consistent by growing season, by location, within cultivars, or by ripening stage when analyzed by multivariate analyses such as principal component analysis (PCA) and hierarchical cluster analyses (HCA). Research into aroma compounds present in cold-hardy cultivars is essential to the continued growth of the wine industry in cold climates and diversification of agriculture in the upper Midwestern area of the U.S.

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Essential Oil Content of Baccharis crispa Spreng. Regulated by Water Stress and Seasonal Variation

AgriEngineering ◽

10.3390/agriengineering2030031 ◽

2020 ◽

Vol 2 (3) ◽

pp. 458-470

Author(s):

Maria Alejandra Moreno-Pizani ◽

Franklin Javier Paredes-Trejo ◽

Asdrubal Jesus Farias-Ramirez ◽

Hugo Thaner dos Santos ◽

Adna Prado Massarioli ◽

...

Keyword(s):

Essential Oil ◽

Oil Content ◽

Seasonal Pattern ◽

Irrigation Management ◽

Principal Component ◽

Hierarchical Cluster ◽

Crop Productivity ◽

Growing Seasons ◽

Irrigation Regimes ◽

Metabolite Profiles

Carqueja (Baccharis crispa Spreng.) has been primarily used as a medicinal plant around the world. Commercially, the essential oil content of carqueja leaves is the most valuable crop productivity variable. We evaluated the effect of irrigation management in different growing seasons on the essential oil content of carqueja leaves using gas chromatography coupled with mass spectrometry. The experiment was conducted in a greenhouse located in Southern Brazil, where the crop was cultivated for two years in different growing seasons under six irrigation regimes: 25%, 50%, 75%, 100%, 125%, and 150% of the reference crop evapotranspiration (T25, T50, T75, T100, T125, and T150, respectively). A seasonal pattern was observed in the number of metabolites of sesquiterpenes and phenolics in the essential oil extracted from the biomass; this outcome was correlated with irrigation regimes and air temperature. Principal component and hierarchical cluster analyses were used to discriminate the influence of abiotic conditions on secondary metabolite profiles. Spathulenol was the most abundant compound in the essential oils (95.43%) collected during the summer (December–March) season during the third harvest (H3) at T150. The essential oil content was 8.84% ± 0.05% and 10.52% ± 0.10% in summer and winter (June–September), respectively, with T100 at 45 and 46 days after planting.

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Quantitative Comparison of the Marker Compounds in Different Medicinal Parts of Morus alba L. Using High-Performance Liquid Chromatography-Diode Array Detector with Chemometric Analysis

Molecules ◽

10.3390/molecules25235592 ◽

2020 ◽

Vol 25 (23) ◽

pp. 5592

Author(s):

Jung-Hoon Kim ◽

Eui-Jeong Doh ◽

Guemsan Lee

Keyword(s):

High Performance Liquid Chromatography ◽

Liquid Chromatography ◽

High Performance ◽

Principal Component ◽

Chemometric Analysis ◽

Morus Alba ◽

Array Detector ◽

Diode Array ◽

Diode Array Detector ◽

Marker Compounds

It is thought that the therapeutic efficacy of Morus alba L. is determined by its biological compounds. We investigated the chemical differences in the medicinal parts of M. alba by analyzing a total of 57 samples (15 root barks, 11 twigs, 12 fruits, and 19 leaves). Twelve marker compounds, including seven flavonoids, two stilbenoids, two phenolic acids, and a coumarin, were quantitatively analyzed using a high-performance liquid chromatography-diode array detector and chemometric analyses (principal component and heatmap analysis). The results demonstrated that the levels and compositions of the marker compounds varied in each medicinal part. The leaves contained higher levels of six compounds, the root barks contained higher levels of four compounds, and the twigs contained higher levels of two compounds. The results of chemometric analysis showed clustering of the samples according to the medicinal part, with the marker compounds strongly associated with each part: mulberroside A, taxifolin, kuwanon G, and morusin for the root barks; 4-hydroxycinnamic acid and oxyresveratrol for the twigs and skimmin; chlorogenic acid, rutin, isoquercitrin, astragalin, and quercitrin for the leaves. Our approach plays a fundamental role in the quality evaluation and further understanding of biological actions of herbal medicines derived from various medicinal plant parts.

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Identification of Floral Scent Profiles in Bearded Irises

Molecules ◽

10.3390/molecules24091773 ◽

2019 ◽

Vol 24 (9) ◽

pp. 1773 ◽

Cited By ~ 4

Author(s):

Yuan Yuan ◽

Ye Sun ◽

Yanchun Zhao ◽

Chungui Liu ◽

Xiulan Chen ◽

...

Keyword(s):

Solid Phase ◽

Floral Scent ◽

Ornamental Plants ◽

Principal Component ◽

Hierarchical Cluster ◽

Gas Chromatography Mass Spectrometry ◽

Methyl Cinnamate ◽

Citronellyl Acetate ◽

Iris Germanica ◽

Scent Profile

Bearded irises are ornamental plants with distinctive floral fragrance grown worldwide. To identify the floral scent profiles, twenty-seven accessions derived from three bearded iris, including Iris. germanica, I. pumila and I. pallida were used to investigate the composition and relative contents of floral scent components by headspace solid-phase microextraction (HS-SPME) and gas chromatography–mass spectrometry (GC-MS). A total of 219 floral scent components were detected in blooming flowers. The scent profile varied significantly among and within the three investigated species. Principal component analysis (PCA) indicated that terpenes, alcohols and esters contributed the most to the floral scent components and 1-caryophyllene, linalool, citronellol, methyl cinnamate, β-cedrene, thujopsene, methyl myristate, linalyl acetate, isosafrole, nerol, geraniol were identified as the major components. In a hierarchical cluster analysis, twenty-seven accessions could be clustered into six different groups, most of which had representative scent components such as linalool, citronellyl acetate, thujopsene, citronellol, methyl cinnamate and 1-caryophyllene. Our findings provide a theoretical reference for floral scent evaluation and breeding of bearded irises.

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