Identification and Bioactivity of Compounds from the Mangrove Endophytic Fungus Alternaria sp.

Racemic new cyclohexenone and cyclopentenone derivatives, (±)-(4R*,5S*,6S*)-3-amino-4,5,6-trihydroxy-2-methoxy-5-methyl-2-cyclohexen-1-one (1) and (±)-(4S*,5S*)-2,4,5-trihydroxy-3-methoxy-4-methoxycarbonyl-5-methyl-2-cyclopenten-1-one (2), and two new xanthone derivatives 4-chloro-1,5-dihydroxy-3-hydroxymethyl-6-methoxycarbonyl-xanthen-9-one (3) and 2,8-dimethoxy-1,6-dimethoxycarbonyl-xanthen-9-one (4), along with one known compound, fischexanthone (5), were isolated from the culture of the mangrove endophytic fungus Alternaria sp. R6. The structures of these compounds were elucidated by analysis of their MS (Mass), one and two dimensional NMR (nuclear magnetic resonance) spectroscopic data. Compounds 1 and 2 exhibited potent ABTS [2,2′-azino-bis(3-ethylbenzthiazoline-6-sulphonic acid)] scavenging activities with EC₅₀ values of 8.19 ± 0.15 and 16.09 ± 0.01 μM, respectively. In comparison to Triadimefon, compounds 2 and 3 exhibited inhibitory activities against Fusarium graminearum with minimal inhibitory concentration (MIC) values of 215.52 and 107.14 μM, respectively, and compound 3 exhibited antifungal activity against Calletotrichum musae with MIC value of 214.29 μM.     

Untargeted Metabolomics Approach for the Discovery of Environment-Related Pyran-2-Ones Chemodiversity in a Marine-Sourced Penicillium restrictum

Very little is known about chemical interactions between fungi and their mollusc host within marine environments. Here, we investigated the metabolome of a Penicillium restrictum MMS417 strain isolated from the blue mussel Mytilus edulis collected on the Loire estuary, France. Following the OSMAC approach with the use of 14 culture media, the effect of salinity and of a mussel-derived medium on the metabolic expression were analysed using HPLC-UV/DAD-HRMS/MS. An untargeted metabolomics study was performed using principal component analysis (PCA), orthogonal projection to latent structure discriminant analysis (O-PLSDA) and molecular networking (MN). It highlighted some compounds belonging to sterols, macrolides and pyran-2-ones, which were specifically induced in marine conditions. In particular, a high chemical diversity of pyran-2-ones was found to be related to the presence of mussel extract in the culture medium. Mass spectrometry (MS)- and UV-guided purification resulted in the isolation of five new natural fungal pyran-2-one derivatives—5,6-dihydro-6S-hydroxymethyl-4-methoxy-2H-pyran-2-one (1), (6S, 1’R, 2’S)-LL-P880β (3), 5,6-dihydro-4-methoxy-6S-(1’S, 2’S-dihydroxy pent-3’(E)-enyl)-2H-pyran-2-one (4), 4-methoxy-6-(1’R, 2’S-dihydroxy pent-3’(E)-enyl)-2H-pyran-2-one (6) and 4-methoxy-2H-pyran-2-one (7)—together with the known (6S, 1’S, 2’S)-LL-P880β (2), (1’R, 2’S)-LL-P880γ (5), 5,6-dihydro-4-methoxy-2H-pyran-2-one (8), (6S, 1’S, 2’R)-LL-P880β (9), (6S, 1’S)-pestalotin (10), 1’R-dehydropestalotin (11) and 6-pentyl-4-methoxy-2H-pyran-2-one (12) from the mussel-derived culture medium extract. The structures of 1-12 were determined by 1D- and 2D-MMR experiments as well as high-resolution tandem MS, ECD and DP4 calculations. Some of these compounds were evaluated for their cytotoxic, antibacterial, antileishmanial and in-silico PTP1B inhibitory activities. These results illustrate the utility in using host-derived media for the discovery of new natural products.     

Identification and Bioactivity of Compounds from the Fungus Penicillium sp. CYE-87 Isolated from a Marine Tunicate

In the course of our continuous interest in identifying bioactive compounds from marine microbes, we have investigated a tunicate-derived fungus, Penicillium sp. CYE-87. A new compound with the 1,4-diazepane skeleton, terretrione D (2), together with the known compounds, methyl-2-([2-(1H-indol-3-yl)ethyl]carbamoyl)acetate (1), tryptamine (3), indole-3-carbaldehyde (4), 3,6-diisobutylpyrazin-2(1H)-one (5) and terretrione C (6), were isolated from Penicillium sp. CYE-87. The structures of the isolated compounds were established by spectral analysis, including 1D (¹H, ¹³C) and 2D (COSY, multiplicity edited-HSQC and HMBC) NMR and HRESIMS, as well as comparison of their NMR data with those in the literature. The compounds were evaluated for their antimigratory activity against the human breast cancer cell line (MDA-MB-231) and their antiproliferation activity against HeLa cells. Compounds 2 and 6 showed significant antimigratory activity against MDA-MB-231, as well as antifungal activity against C. albicans.     

Quinazolin-4-one coupled with pyrrolidin-2-iminium alkaloids from marine-derived fungus Penicillium aurantiogriseum

Three new alkaloids, including auranomides A and B (1 and 2), a new scaffold containing quinazolin-4-one substituted with a pyrrolidin-2-iminium moiety, and auranomide C (3), as well as two known metabolites auranthine (4) and aurantiomides C (5) were isolated from the marine-derived fungus Penicillium aurantiogriseum. The chemical structures of compounds 1-3 were elucidated by extensive spectroscopic methods, including IR, HRESIMS and 2D NMR spectroscopic analysis. The absolute configurations of compounds 1-3 were suggested from the perspective of a plausible biosynthesis pathway. Compounds 1-3 were subjected to antitumor and antimicrobial screening models. Auranomides A-C exhibited moderate cytotoxic activity against human tumor cells. Auranomides B was the most potent among them with an IC(50) value of 0.097 μmol/mL against HEPG2 cells.     

Five New Secondary Metabolites Produced by a Marine-Associated Fungus,Daldinia eschscholzii

Five new compounds, including a benzopyran ribonic glycoside, daldiniside A (1), two isocoumarin ribonic glycosides, daldinisides B (2) and C (3), and two alkaloids, 1-(3-indolyl)-2R,3-dihydroxypropan-1-one (4) and 3-ethyl-2,5-pyrazinedipropanoic acid (5), along with five known compounds (6–10), were isolated from the EtOAc extract of the marine-associated fungus, Daldinia eschscholzii. Their structures were elucidated by extensive physicochemical and spectroscopic properties, besides comparison with literature data. The absolute configurations of compounds 1–3 were corroborated by chemical transformation, GC analysis and X-ray crystallographic analysis. Meanwhile, the absolute configuration of compound 4 and the planar structure of compound 6 were also determined based on the X-ray diffraction analysis. The cytotoxicity of compounds 1–10, antifungal and anti-HIV activities of compounds 1–5 and the in vitro assay for glucose consumption of compounds 1–3 were done in the anti-diabetic model, whereas none showed obvious activity.     

冰菜乙醇提取物乙酸乙酯和正丁醇相的化学成分分离鉴定

本研究以冰菜（Mesembryanthemum crystallinum L.）为实验材料,运用多种柱色谱和波谱技术,从冰菜乙醇提取物的乙酸乙酯和正丁醇相中共分离鉴定得到了11个单体化合物,其中苯丙素类化合物2个,分别是顺式对羟基肉桂酸（化合物4）、阿魏酸（化合物3）;生物碱类化合物2个,分别是烟酸（化合物6）、ethane-1,2-diyldinicotinate（化合物7）;糖苷类化合物5个,分别是2-ethoxy-5-(hydroxymethyl)tetrahydrofuran-3,4-diol（化合物5）、3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl(E)-3-(4-hydroxy-3-methoxyphenyl)acrylate（化合物8）、(E)-2-(hydroxymethyl)-6-(4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol（化合物9）、6-(1R,2S-2-hydroxy-4-(S,E-3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-5-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol（化合物10）、E-4-hydroxy-3,5,5-trimethyl-4-(3-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one（化合物11）;苯丙呋喃酮类化合物1个:黑麦草内酯（化合物2）;甾体类化合物1个:β-谷甾醇（化合物1）。本研究丰富了冰菜中的化学成分,也为更好地开发利用冰菜的功能性成分提供理论依据,有利于冰菜的推广种植。     

Antibacterial Polyketides from the Marine Alga-Derived Endophitic Streptomyces sundarbansensis: A Study on Hydroxypyrone Tautomerism

Polyketide 13 [=2-hydroxy-5-((6-hydroxy-4-oxo-4H-pyran-2-yl)methyl)-2-propylchroman-4-one] and three related known compounds 7, 9 and 11 were obtained and structurally characterized from Streptomyces sundarbansensis strain, an endophytic actinomycete isolated from the Algerian marine brown algae Fucus sp. Compound 13 was obtained as the major metabolite from optimized culture conditions, by using Agar state fermentation. Due to tautomeric equilibrium, 13 in CD₃OD solution was able to incorporate five deuterium atoms, as deduced by NMR and ESI-MS/MS analysis. The 2-hydroxy-γ-pyrone form was established for these metabolites based on the comparison of their experimental IR spectra with the DFT calculated ones, for both the corresponding 4-hydroxy-α-pyrone and 2-hydroxy-γ-pyrone forms. During antibacterial evaluation, compound 13 stood out as the most active of the series, showing a selective activity against the gram positive pathogenic methicillin-resistant S. aureus (MRSA, MIC = 6 μΜ), with a bacteriostatic effect.     

Synthesis of some new thermally stable reactive dyes having 4(3<Emphasis Type="Italic">H</Emphasis>)-quinazolinone molecule for the dyeing of silk,wool, and cotton fibers

Diazotized 3-{4-[2-chloro-4-amino-5-carboxybenzyl]-5-chloro-2-carboxyphenyl}-6-iodo-2-phenylquinazolin-4(3H)-one (4) was coupled with various p-nitro anilino cyanurated coupling components (6a-j) to give the corresponding quinazolinone based reactive dyes (7a-j) in reasonable yields. All the reactive dyes (7a-j) were characterized by spectroscopic technique and elemental analysis. These dyes were applied to silk, wool, and cotton fibers as reactive dyes and their spectroscopic data, colorimetric data, antimicrobial activity, thermal stability, and fastness properties were evaluated.     

Weed control research in Colorado potatoes—A review

Studies have been conducted for three years to determine the herbicides best adapted for the control of annual broadleaf and grass weeds in Colorado potato fields. The most effective registered herbicides are EPTC, EPTC + trifluralin, and metobromuron. Promising herbicides that are not registered are alachlor and 4-amino-6-t-butyl-3-(methylthio)-as-triazin-5-(4H)-one (BAY-94337). These experiments show the efficacy of several herbicides. The data indicate little need for the presently accepted pattern of extensive post planting cultivation when weeds are chemically conrolled.     

Five New Cytotoxic Metabolites from the Marine Fungus Neosartorya pseudofischeri

The marine fungus Neosartorya pseudofischeri was isolated from Acanthaster planci from the South China Sea. In a preliminary bioactivity screening, the crude methanol extract of the fungal mycelia showed significant inhibitory activity against the Sf9 cell line from the fall armyworm Spodoptera frugiperda. Five novel compounds, including 5-olefin phenylpyropene A (1), 13-dehydroxylpyripyropene A (4), deacetylsesquiterpene (7), 5-formyl-6-hydroxy-8-isopropyl-2- naphthoic acid (9) and 6,8-dihydroxy-3-((1E,3E)-penta-1,3-dien-1-yl)isochroman-1-one (10), together with eleven known compounds, phenylpyropene A (2) and C (3), pyripyropene A (5), 7-deacetylpyripyropene A (6), (1S,2R,4aR,5R,8R,8aR)-1,8a-dihydroxy-2-acetoxy-3,8-dimethyl-5- (prop-1-en-2-yl)-1,2,4a, 5,6,7,8,8a-octahydronaphthalene (8), isochaetominine C (11), trichodermamide A (12), indolyl-3-acetic acid methyl ester (13), 1-acetyl-β-carboline (14), 1,2,3,4-tetrahydro-6-hydroxyl-2-methyl-l,3,4-trioxopyrazino[l,2-a]-indole (15) and fumiquinazoline F (16), were obtained. The structures of these compounds were determined mainly by MS and NMR data. The absolute configuration of 9 was assigned by the single-crystal X-ray diffraction studies. Compounds 1–11 and 15 showed significant cytotoxicity against the Sf9 cells from S. frugiperda.     

HP-SPME-GC-MS结合ROAV分析新疆不同小麦品种面粉主要挥发性成分

为了解新疆小麦面粉挥发性成分组成,用顶空固相微萃取气相色谱-质谱联用技术(headspace solid phase microextraction gas chromatography-mass spectrometry,HS-SPME-GC-MS)测定12个小麦品种的挥发性物质构成,结合相对气味活度值(relative odor activity value,ROAV)、主成分分析(principal component analysis,PCA)和聚类分析,分析新疆不同小麦品种面粉中的关键香气成分构成差异。结果表明,12个小麦面粉样品中共鉴定出143种挥发性化合物,其中烷烃类50种,烯烃类8种,醛类13种,醇类28种,酮类16种,酯类7种,酸类4种,苯类9种,其他化合物8种。ROAV分析发现不同小麦品种面粉主要挥发性物质有12种：己醛、壬醛、反-2-辛烯醛、癸醛、(E,E)-2,4-壬二烯醛、1-辛烯-3-醇、2-正戊基呋喃、正己醇、1-壬醇、6-甲基-5-庚烯-2-酮、3-辛烯-2-酮、γ-壬内脂。主成分和聚类分析表明,春小麦、冬小麦分别聚为一类。     

Six New Tetraprenylated Alkaloids from the South China Sea Gorgonian Echinogorgia pseudossapo

Six new tetraprenylated alkaloids, designated as malonganenones L–Q (1–6), were isolated from the gorgonian Echinogorgia pseudossapo, collected in Daya Bay of Guangdong Province, China. The structures of 1–6 featuring a methyl group at N-3 and a tetraprenyl chain at N-7 in the hypoxanthine core were established by extensive spectroscopic analyses. Compounds 1–6 were tested for their inhibitory activity against the phosphodiesterases (PDEs)-4D, 5A, and 9A, and compounds 1 and 6 exhibited moderate inhibitory activity against PDE4D with IC₅₀ values of 8.5 and 20.3 µM, respectively.     

Secosteroids and Norcembranoids from the Soft Coral Sinularia nanolobata

Two new 9,11-secosteroids, 22α-acetoxy-24-methylene-3β,6α,11-trihydroxy-9,11-seco-cholest-7-en-9-one (1) and 11-acetoxy-24-methylene-1β,3β,6α-trihydroxy-9,11-seco-cholest-7-en-9-one (2), as well as two known norcembranoids, 5-epi-sinuleptolide (3) and sinuleptolide (4), were isolated from the soft coral Sinularia nanolobata. The structures of these metabolites were elucidated on the basis of extensive spectroscopic analysis. The anti-HCMV (human cytomegalovirus) activity of 1–4 and its cytotoxicity against selected cell lines were evaluated.     

Biological study of Plutella xylostella (L.) (Lep: Plutellidae) and it's solitary endoparasitoid, Cotesia vestalis (Haliday) (Hym. Braconidae) under laboratory conditions

Plutella xylostella (L.) (Lep: Plutellidae), is a destructive pest of brassicaceous crops in the world. Cotesia vestalis (Haliday) is one of most important biological control agents of P. xylostella in the world and Iran. Both of P. xylostella and C. vestalis biology were carried out in laboratory condition. Results showed that development time of immature stages of P. xylostella including egg, Instar I, Instar II, Instar III, Instar IV, prepupa, pupa were 2.39 +/- 0.17, 2.18 +/- 0.17, 2.06 +/- 0.28, 2.14 +/- 0.14, 2.54 +/- 0.12, 0.40 +/- 0.12 and 4.23 +/- 0.23 days, respectively. Longevity of female and male were 28.26 +/- 0.05 and 30.22 +/- 0.05 days. By dissecting the parasitized larvae, the egg incubation period of C. vestalis was recorded 1.73 +/- 0.06 days. In long-term oviposition trials, females laid eggs on P. xylostella larvae for up to 10 days. Larval development of the parasitoid in host only required 6.47 days: the first instar larva required 3.25 +/- 0.047 days; the second instar larva needed 2.78 +/- 0.1 days and the third instar larvae exited the host and pupated in, 0.4 +/- 0.07 days. Prepupal and pupal period of wasp were 1.9 +/- 0.06 and 2.13 +/- 0.09 day, respectively. Unmated female and male longevity of wasp were 16.83 +/- 0.37, 16.25 +/- 0.17 and sex ratio is male-biased. When a mixed group and isolated of instars were presented for parasitoid, the 2nd and 3rd instar larvae were so preferred and the 4th instar was less attractive for selection. In choice experiment, the percentage parasitism of 2nd, 3rd and 4th instars was 78.58, 69.94 and 4.36%, respectively. The rapid oviposition rate, short life duration and high percentage parasitism increases parasitoid potential for suppression of host population. Present results suggest that C. vestalis has considerable potential as a biological control agent for P. xylostella.     

Timing of herbicide application and potato hilling

Weed management involving the time of hilling and various herbicide applications was compared. The best weed management program consisted of EPTC (S-ethyl dipropylcarbamothioate) at 3.3 kg ai ha^-1 preplant incorporated, followed by metribuzin [4-amino-6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one] at 0.6 kg ai ha^-1 applied delayed pree-mergence, or delayed preemergence applications of metolachlor [2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl) acetamide] plus linuron [N’-(3,4-dichlorophenyl)-N-methylurea] (2.2 + 1.1 kg ai ha^-1) or metolachlor plus metribuzin (2.2 + 0.6 kg ai ha^-1) regardless of the time of hilling. Alternatively, postemergence applications of sethoxydim [2-[1-(ethoxyimino) butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one] plus metribuzin plus crop oil concentrate at 0.2 plus 0.6 kg ai ha^-1 plus 1.2 L ha^-1 provided excellent season-long weed control regardless of the time of hilling. However, potato yield was reduced in 1 of 2 years by this treatment. Preemergence herbicides applied immediately after planting followed by an early hilling at ground cracking did not provide season-long weed control. The cultivar Atlantic was a better competitor with weeds than Russet Burbank in 1 of 2 years.     

利用差异显示技术克隆小麦抗白粉病相关基因的研究

对小麦—簇毛麦抗病易位系进行差异显示分析,以期获得小麦抗白粉病基因的分子克隆。根据已克隆植物抗病基因的保守域,设计了简并引物,与锚定引物组合,对抗病诱导的小麦抗白粉病易位系进行了差异显示分析,共获得10个差异片段,其中两个片段R3-1和8C1.3-6Northern杂交为阳性。将这两个片段克隆后进行了测序,序列分析结果为两个新序列,GenBank登录号分别为AF498271和AF498272。R3-1没有发现同源性较高的植物基因序列,发现8C1.3-6与Sphenostylisstenocarpa 类几丁质酶基因有同源性。     

Residues of metribuzin and its metabolites in potato tubers

Metribuzin [4-amino-6-t-butyl-3-(methylthio)-1,2,4-triazin-5 (4H)-one] and its major metabolites were found by gas chromatography in harvested tubers of field-grown Russet Burbank potatoes treated with metribuzin for weed control at application rates from 0.25 lb/A to 4.0 lb/A. Metribuzin and its diketo metabolite [6-(l,l,dimethylethyl)-3-(methyl-thio)-1,2,4-triazin-5(4H)-one] (DK) constituted nearly all of the residues; these increased in linear proportion to metribuzin application rates between 0.25 and 4.0 lb/A. From potatoes planted May 28, metribuzin residue in tubers harvested October 5 and stored five months at 45 F reached the following maxima at the 4.0 1b rate: 0.30 ppm from preemergence application on June 10, 0.68 ppm from application to 4” high plants on June 27, 0.93 ppm from application to 8” plants on July 5, and 1.68 ppm application to 16” plants on July 22. Both DK and metribuzin values from the earliest application were significantly lower than those from later dates, and residues from the last application date were significantly higher than those from earlier dates. Residues from equivalent rates applied at the June 27 and July 5 dates did not differ significantly. With all June 10 treatments, tuber metribuzin was well below 0.6 ppm (1975 EPA tolerance for metribuzin together with its metabolites). From the June 27 and July 5 dates, metribuzin exceeded tolerance only from the 4 1b rate. Metribuzin residue approached tolerance at the 1 lb rate applied July 22, but did not approach it at the lower rates. Combined values approached or exceeded tolerance from the 2 lb rate applied June 27 or July 5 and exceeded tolerance at the 1 lb rate applied July 22. Correlation of DK with combined values was .966; DK averaged 30% of the total. When combined values were over 0.6 ppm, the deaminated metabolite (DA) accounted for approximately 8% of the total.     

Pachydictyols B and C: New Diterpenes from Dictyota dichotoma Hudson

Two new diterpenoids, pachydictyol B (1a/1b) and C (2), were isolated from the dichloromethane extract of the marine brown alga, Dictyota dichotoma, collected from the Red Sea coast of Egypt, along with the known metabolites, pachydictyol A (3a), dictyol E (4), cis-africanan-1α-ol (5a), fucosterol (6), tetrahydrothiophen-1,1-dioxide and poly-β-hydroxybutyric acid. GC-MS analysis of the nonpolar fractions also indicated the presence of β-bourbonene and nonanal, along with three hydrocarbons and five fatty acids or their simple derivatives, respectively. GC-MS analysis of the unsaponifiable algal petroleum ether extract revealed the presence of a further eight compounds, among them 2,2,6,7-tetramethyl-10-oxatricyclo[4.3.0.1(1,7)]decan-5-one (7), N-(4-bromo-n-butyl)-piperidin-2-one (8) and tert-hexadecanethiol. Structures 1–6 were assigned by 1D and 2D NMR, mass spectra (EI, CI, HREI and HRESI) and by comparison with data from related structures. The crude algal extract was potently active against the breast carcinoma tumor cell line, MCF7 (IC₅₀ = 0.6 µg mL⁻¹); pachydictyol B (1a) and dictyol E (4) showed weak antimicrobial properties, and the other compounds were inactive. Pachydictyols B (1a) and C (2) demonstrated a weak and unselective cytotoxicity against twelve human tumor cell lines with a mean IC₅₀ of >30.0 µM.     

沉香样品中曲霉属真菌菌株 HNWSW-20 的分离鉴定及其次生代谢产物的研究

本文采用平板分离法从沉香样品中分离得到一株真菌 HNWSW-20,从形态学和分子生物学上鉴定其为曲霉菌（Aspergillus sp.）,并利用多种色谱技术对其次生代谢产物进行分离纯化,根据波谱数据和理化性质鉴定其化合物结构为：2?,3?-dihydrosorbicillin（1）,sorbicillin（2）,2,3-二氢-2-(1-丙烯)-6,8-二甲基-7-羟基-色酮（3）,邻苯二甲酸二丁酯（4）,7-羟基-异苯并呋喃-1(3H)-酮（5）二十烷酸甲酯（6）;分别采用 Ellman 比色法和 pNPG 法测定化合物的乙酰胆碱酯酶抑制活性和 α-葡萄糖苷酶抑制活性,结果显示上述化合物 1、2、4 具有乙酰胆碱酯酶抑制活性,而化合物 1、3、5 具有 α-葡萄糖苷酶抑制活性。本文中化合物 1~2 为首次从曲霉属中分离得到,并首次报道具有乙酰胆碱酯酶和 α-葡萄糖苷酶抑制活性。     

基于非靶向代谢组学分析白茶室内自然萎凋过程代谢物的变化规律

以福安大白茶品种鲜叶为材料,按照室内自然萎凋工艺加工白茶,每隔3 h采集过程样,利用非靶向代谢组学技术分析了代谢物的含量变化。结果表明,在白茶室内自然萎凋过程中,茶鲜叶中的代谢物含量呈现规律性的动态变化。研究共鉴定到106种代谢物,其含量呈现5种主要变化趋势。这些变化趋势可以分为4个阶段,分别为萎凋前24 h、萎凋24~48 h、萎凋48~57 h、萎凋57 h之后。这些差异代谢物按照结构分为4种类型：类黄酮化合物中8种单体儿茶素（Catechins）在萎凋过程中呈现下降趋势;18种原花青素物质（PAs）和5种聚酯型儿茶素（TSs）有升有降;含没食子酰基的PAs与TSs含量均呈现上升趋势,而未含该基团的两类物质含量则呈现下降趋势。糖苷衍生物中6种山奈酚（Kaempferol）糖苷,4种槲皮素（Quercetin）糖苷,1种芹菜素（Apigenin）糖苷含量均呈上升趋势,且在萎凋48 h后含量明显上升。在萎凋过程中12种酚酸类物质中5种呈现上升趋势,7种呈现下降趋势,这些物质均在萎凋至57~60 h时出现最高或最低值。此外,分析了生物碱、氨基酸与多肽、香豆素类、糖等20种代谢物的含量变化,其中咖啡碱含量呈现上升趋势,在萎凋60 h时最高,可可碱含量在萎凋中期下降明显,萎凋后期略有回升,2种茶氨酸异构体和4种香豆素物质含量在萎凋至12 h达到峰值,此后总体呈下降趋势。本研究为明确白茶在自然萎凋加工过程中的生物代谢调控机制提供重要参考。