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1.
Environ Sci Technol ; 56(17): 12460-12472, 2022 09 06.
Artigo em Inglês | MEDLINE | ID: mdl-35994059

RESUMO

Lower chlorinated polychlorinated biphenyls (LC-PCBs) and their metabolites make up a class of environmental pollutants implicated in a range of adverse outcomes in humans; however, the metabolism of LC-PCBs in human models has received little attention. Here we characterize the metabolism of PCB 2 (3-chlorobiphenyl), an environmentally relevant LC-PCB congener, in HepG2 cells with in silico prediction and nontarget high-resolution mass spectrometry. Twenty PCB 2 metabolites belonging to 13 metabolite classes, including five dechlorinated metabolite classes, were identified in the cell culture media from HepG2 cells exposed for 24 h to 10 µM or 3.6 nM PCB 2. The PCB 2 metabolite profiles differed from the monochlorinated metabolite profiles identified in samples from an earlier study with PCB 11 (3,3'-dichlorobiphenyl) under identical experimental conditions. A dechlorinated dihydroxylated metabolite was also detected in human liver microsomal incubations with monohydroxylated PCB 2 metabolites but not PCB 2. These findings demonstrate that the metabolism of LC-PCBs in human-relevant models involves the formation of dechlorination products. In addition, untargeted metabolomic analyses revealed an altered bile acid biosynthesis in HepG2 cells. Our results indicate the need to study the disposition and toxicity of complex PCB 2 metabolites, including novel dechlorinated metabolites, in human-relevant models.


Assuntos
Poluentes Ambientais , Bifenilos Policlorados , Compostos de Bifenilo , Linhagem Celular , Poluentes Ambientais/metabolismo , Humanos , Hidroxilação , Bifenilos Policlorados/metabolismo
2.
Environ Sci Technol ; 56(18): 13169-13178, 2022 09 20.
Artigo em Inglês | MEDLINE | ID: mdl-36047920

RESUMO

Laboratory studies of the disposition and toxicity of hydroxylated polychlorinated biphenyl (OH-PCB) metabolites are challenging because authentic analytical standards for most unknown OH-PCBs are not available. To assist with the characterization of these OH-PCBs (as methylated derivatives), we developed machine learning-based models with multiple linear regression (MLR) or random forest regression (RFR) to predict the relative retention times (RRT) and MS/MS responses of methoxylated (MeO-)PCBs on a gas chromatograph-tandem mass spectrometry system. The final MLR model estimated the retention times of MeO-PCBs with a mean absolute error of 0.55 min (n = 121). The similarity coefficients cos θ between the predicted (by RFR model) and experimental MS/MS data of MeO-PCBs were >0.95 for 92% of observations (n = 96). The levels of MeO-PCBs quantified with the predicted MS/MS response factors approximated the experimental values within a 2-fold difference for 85% of observations and 3-fold differences for all observations (n = 89). Subsequently, these model predictions were used to assist with the identification of OH-PCB 95 or OH-PCB 28 metabolites in mouse feces or liver by suggesting candidate ranking information for identifying the metabolite isomers. Thus, predicted retention and MS/MS response data can assist in identifying unknown OH-PCBs.


Assuntos
Bifenilos Policlorados , Animais , Cromatografia Gasosa-Espectrometria de Massas , Hidroxilação , Aprendizado de Máquina , Camundongos , Bifenilos Policlorados/metabolismo , Espectrometria de Massas em Tandem
3.
Chem Res Toxicol ; 34(4): 988-991, 2021 04 19.
Artigo em Inglês | MEDLINE | ID: mdl-33734669

RESUMO

PCB 11 (3,3'-dichloro-biphenyl) is an emerging environmental contaminant that represents a public health concern. Here, we investigated the distribution of PCB 11 and its metabolites in mice exposed orally to PCB 11. PCB 11 tissue levels followed the rank order adipose > lung ∼ muscle > liver > brain > blood 4 h after PCB 11 exposure, which varied from the rank order predicted with a composition-based model. We detected hydroxylated and sulfate metabolites in the liver and sulfate and glucuronide metabolites in serum. These findings lay the groundwork for future toxicity studies with PCB 11.


Assuntos
Bifenilos Policlorados/metabolismo , Animais , Camundongos , Estrutura Molecular , Bifenilos Policlorados/administração & dosagem , Bifenilos Policlorados/química
4.
FASEB J ; 34(9): 11983-11996, 2020 09.
Artigo em Inglês | MEDLINE | ID: mdl-32686857

RESUMO

Previously, selenoprotein T (SelT) expression was shown to be induced in nervous, endocrine, and metabolic tissues during ontogenetic and regenerative processes. However, whether SelT plays a critical role in renal diseases remains unclear. Here, we explored the role of SelT in cisplatin-induced acute kidney injury (AKI). Results revealed that SelT was highly expressed in renal tubules, but its expression was significantly reduced in cisplatin-induced AKI. Importantly, knocking down of SelT expression in kidney cells in vitro resulted in cisplatin-induced cell apoptosis, as indicated by the elevation of cleaved-PARP and Bax expression, Caspase-3 activity, and number of TUNEL-positive cells. Moreover, SelT silencing-induced reactive oxygen species (ROS) production, accompanied by a decrease in intracellular superoxide dismutase (SOD) and catalase (CAT) activity and increase in malondialdehyde (MDA) content. Notably, the protein and mRNA levels of Nox4 were increased in response to SelT downregulation. Furthermore, suppression of Nox4 expression by GKT137831 partially alleviated SelT knockdown-induced ROS generation and cell apoptosis in cisplatin-treated kidney cells. Taken together, our findings provide the first evidence that SelT protects against cisplatin-induced AKI by suppression of oxidative stress and apoptosis.


Assuntos
Injúria Renal Aguda , Apoptose/efeitos dos fármacos , Cisplatino/efeitos adversos , Estresse Oxidativo/efeitos dos fármacos , Selenoproteínas/biossíntese , Tiorredoxina Dissulfeto Redutase/biossíntese , Injúria Renal Aguda/induzido quimicamente , Injúria Renal Aguda/metabolismo , Injúria Renal Aguda/prevenção & controle , Animais , Cisplatino/farmacologia , Regulação da Expressão Gênica/efeitos dos fármacos , Túbulos Renais/metabolismo , Túbulos Renais/patologia , Masculino , Camundongos , Ratos , Ratos Endogâmicos WKY , Ratos Sprague-Dawley
5.
Environ Sci Technol ; 55(13): 9052-9062, 2021 07 06.
Artigo em Inglês | MEDLINE | ID: mdl-34125531

RESUMO

The characterization of the metabolism of lower chlorinated PCB, such as 4-chlorobiphenyl (PCB3), is challenging because of the complex metabolite mixtures formed in vitro and in vivo. We performed parallel metabolism studies with PCB3 and its hydroxylated metabolites to characterize the metabolism of PCB3 in HepG2 cells using nontarget high-resolution mass spectrometry (Nt-HRMS). Briefly, HepG2 cells were exposed for 24 h to 10 µM PCB3 or its seven hydroxylated metabolites in DMSO or DMSO alone. Six classes of metabolites were identified with Nt-HRMS in the culture medium exposed to PCB3, including monosubstituted metabolites at the 3'-, 4'-, 3-, and 4- (1,2-shift product) positions and disubstituted metabolites at the 3',4'-position. 3',4'-Di-OH-3 (4'-chloro-3,4-dihydroxybiphenyl), which can be oxidized to a reactive and toxic PCB3 quinone, was a central metabolite that was rapidly methylated. The resulting hydroxylated-methoxylated metabolites underwent further sulfation and, to a lesser extent, glucuronidation. Metabolomic analyses revealed an altered tryptophan metabolism in HepG2 cells following PCB3 exposure. Some PCB3 metabolites were associated with alterations of endogenous metabolic pathways, including amino acid metabolism, vitamin A (retinol) metabolism, and bile acid biosynthesis. In-depth studies are needed to investigate the toxicities of PCB3 metabolites, especially the 3',4'-di-OH-3 derivatives identified in this study.


Assuntos
Compostos de Bifenilo , Redes e Vias Metabólicas , Células Hep G2 , Humanos , Hidroxilação , Espectrometria de Massas
6.
Environ Sci Technol ; 54(21): 13817-13827, 2020 11 03.
Artigo em Inglês | MEDLINE | ID: mdl-33059451

RESUMO

Cell culture models are used to study the toxicity of polychlorinated biphenyls (PCBs); however, it is typically unknown how much PCB enters the cells and, for chiral PCBs, if the partitioning is atropselective. We investigated the partitioning of racemic PCB 91, PCB 95, PCB 132, and PCB 136 in HepG2 cells following a 72 h incubation. PCBs were present in the cell culture medium (60.7-88.8%), cells (8.0-14.6%), and dishes (2.3-7.8%) and displayed atropisomeric enrichment in the cells (enantiomeric fraction [EF] = 0.55-0.77) and dishes (EF = 0.53-0.68). Polyparameter linear free energy relationships coupled with a composition-based model provided a good estimate of the PCB levels in the cells and cell culture medium. The free concentration was subsequently used to extrapolate from the nominal cell culture concentration to PCB tissue levels and vice versa. This approach can be used for in vitro-in vivo extrapolations for all 209 PCB congeners. However, this model (and modified models based on descriptors incorporating atropselective interactions, i.e., relative retention times on chiral columns) did not predict the atropselective partitioning in the cell culture system. Improved chemical descriptors that account for the atropselective binding of PCBs to biological macromolecules are, therefore, needed to predict the atropselective partitioning of PCBs in biological systems.


Assuntos
Bifenilos Policlorados , Técnicas de Cultura de Células , Estereoisomerismo
7.
Environ Sci Technol ; 54(19): 12345-12357, 2020 10 06.
Artigo em Inglês | MEDLINE | ID: mdl-32910851

RESUMO

3,3'-Dichlorobiphenyl (PCB 11) is a byproduct of industrial processes and detected in environmental samples. PCB 11 and its metabolites are present in human serum, and emerging evidence demonstrates that PCB 11 is a developmental neurotoxicant. However, little is known about the metabolism of PCB 11 in humans. Here, we investigated the metabolism of PCB 11 and the associated metabolomics changes in HepG2 cells using untargeted high-resolution mass spectrometry. HepG2 cells were exposed for 24 h to PCB 11 in DMSO or DMSO alone. Cell culture media were analyzed with ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry. Thirty different metabolites were formed by HepG2 cells exposed to 10 µM PCB 11, including monohydroxylated, dihydroxylated, methoxylated-hydroxylated, and methoxylated-dihydroxylated metabolites and the corresponding sulfo and glucuronide conjugates. The methoxylated PCB metabolites were observed for the first time in a human-relevant model. 4-OH-PCB 11 (3,3'-dichlorobiphenyl-4-ol) and the corresponding catechol metabolite, 4,5-di-OH-PCB 11 (3',5-dichloro-3,4-dihydroxybiphenyl), were unambiguously identified based on liquid and gas chromatographic analyses. PCB 11 also altered several metabolic pathways, in particular vitamin B6 metabolism. These results demonstrate that complex PCB 11 metabolite profiles are formed in HepG2 cells that warrant further toxicological investigation, particularly since catechol metabolites are likely reactive and toxic.


Assuntos
Bifenilos Policlorados , Misturas Complexas , Cromatografia Gasosa-Espectrometria de Massas , Células Hep G2 , Humanos , Hidroxilação , Estresse Oxidativo , Bifenilos Policlorados/toxicidade
8.
Metab Brain Dis ; 35(6): 883-894, 2020 08.
Artigo em Inglês | MEDLINE | ID: mdl-32246323

RESUMO

It has been accepted that kidney function is connected with brain activity. In clinical studies, chronic kidney disease (CKD) patients have been found to be prone to suffering cognitive decline and Alzheimer's disease (AD). The cognitive function of CKD patients may improve after kidney transplantation. All these indicators show a possible link between kidney function and dementia. However, little is known about the mechanism behind the relation of CKD and AD. This review discusses the associations between CKD and AD from the perspective of the pathophysiology of the kidney and complications and/or concomitants of CKD that may lead to cognitive decline in the progression of CKD and AD. Potential preventive and therapeutic strategies for AD are also presented. Further studies are warranted in order to confirm whether the setting of CKD is a possible new determinant for cognitive impairment in AD.


Assuntos
Doença de Alzheimer/epidemiologia , Doença de Alzheimer/metabolismo , Progressão da Doença , Insuficiência Renal Crônica/epidemiologia , Insuficiência Renal Crônica/metabolismo , Doença de Alzheimer/diagnóstico , Cognição/fisiologia , Disfunção Cognitiva/diagnóstico , Disfunção Cognitiva/epidemiologia , Disfunção Cognitiva/metabolismo , Humanos , Insuficiência Renal Crônica/diagnóstico
9.
Mol Cell Probes ; 43: 72-79, 2019 02.
Artigo em Inglês | MEDLINE | ID: mdl-30419277

RESUMO

Frequent outbreaks of toxic algal blooms devastate marine ecosystems, marine fisheries, and public health. Monitoring toxic algae is crucial to reduce losses caused by imminent algal blooms. However, traditional detection techniques relying on morphological examination are tedious and time-consuming. Therefore, the development of convenient strategies to detect toxin-producing microalgae is necessary. In this study, a novel method for the rapid, sensitive detection of Amphidinium carterae by loop-mediated isothermal amplification (LAMP) combined with a chromatographic lateral-flow dipstick (LFD) was established. The partial internal transcribed spacer gene was PCR amplified, cloned, and sequenced to design four LAMP primers and a detection probe for A. carterae detection. The LAMP detection conditions were optimized, and the optimum parameters were determined to be the following: dNTP concentration, 1.2 mM; betaine concentration, 1.2 M; magnesium ion concentration, 8 mM; ratio of inner primer to outer primer, 8:1; amplification temperature, 59 °C; and amplification time, 60 min. The specificity of LAMP-LFD was confirmed by cross-reactivity tests with other algal species. LAMP-LFD was 100 times more sensitive than regular PCR and similarly sensitive as LAMP and SYBR Green I. LAMP-LFD can be completed within 70 min and did not require special detection equipment. The convenience of the established LAMP-LFD assay was further validated by tests with simulated field-water samples. In conclusion, the developed LAMP-LFD assay can be used as a reliable and simple method of detecting A. carterae.


Assuntos
Cromatografia/métodos , Microalgas/genética , Microalgas/isolamento & purificação , Técnicas de Amplificação de Ácido Nucleico/métodos , Reologia , Sequência de Bases , Sensibilidade e Especificidade
10.
J Cell Physiol ; 233(9): 7173-7181, 2018 09.
Artigo em Inglês | MEDLINE | ID: mdl-29574897

RESUMO

The disturbance of podocyte motility is an essential pathogenic mechanisms of foot process effacement during proteinuric diseases, and myosin light chain (MLC) is a pivotal component in regulating the motility of podocytes. Inflammatory cytokine interleukin-6 (IL-6) has been reported to induce podocyte abnormalities by various mechanisms, however, whether aberrant cell motility contributes to the IL-6-induced podocyte injury remains unknown. Here, by wound healing, transwell, and cell migration assays, we confirmed that IL-6 accelerates the motility of podocyte. Simultaneously, the phosphorylation of MLC is elevated along with perturbed focal adhesion (FAs) and cytoskeleton. Next, via genetic and pharmacologic interruption of MLC or its phosphorylation we revealed that the activation of MLC is implicated in IL-6-mediated podocyte hypermotility as well as the disassembly of FAs and F-actin. By using stattic, an inhibitor for STAT3 phosphorylation, we uncovered that STAT3 activation is the upstream event for MLC phosphorylation and the following aberrant motility of podocytes. Additionally, we found that calcitriol markedly attenuates podocyte hypermotility via blocking STAT3-MLC. In conclusion, our study demonstrated that IL-6 interrupts FAs dynamic, cytoskeleton organization, and eventually leads to podocyte hypermotility via STAT3/MLC, whereas calcitriol exerts its protective role by inhibiting this pathway. These findings enrich the mechanisms accounting for IL-6-mediated podocyte injury from the standpoint of cell motility and provide a novel therapeutic target for podocyte disorders.


Assuntos
Movimento Celular/efeitos dos fármacos , Citoesqueleto/metabolismo , Adesões Focais/metabolismo , Interleucina-6/farmacologia , Cadeias Leves de Miosina/metabolismo , Podócitos/citologia , Podócitos/metabolismo , Citoesqueleto de Actina/efeitos dos fármacos , Citoesqueleto de Actina/metabolismo , Calcitriol/farmacologia , Citoesqueleto/efeitos dos fármacos , Adesões Focais/efeitos dos fármacos , Humanos , Modelos Biológicos , Fosforilação/efeitos dos fármacos , Podócitos/efeitos dos fármacos , Fator de Transcrição STAT3/metabolismo , Transdução de Sinais/efeitos dos fármacos , Fibras de Estresse/efeitos dos fármacos , Fibras de Estresse/metabolismo
11.
Microb Ecol ; 76(3): 592-609, 2018 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-29442157

RESUMO

A central goal in marine microecology is to understand the ecological factors shaping spatiotemporal microbial patterns and the underlying processes. We hypothesized that abiotic and/or biotic interactions are probably more important for explaining the distribution patterns of marine bacterioplankton than environmental filtering. In this study, surface seawater samples were collected about 7000 miles from the Mediterranean Sea, transecting the North Atlantic Ocean, to the Brazilian marginal sea. In bacterial biosphere, SAR11, SAR86, Rhodobacteraceae, and Rhodospiriaceae were predominant in the Mediterranean Sea; Prochlorococcus was more frequent in Atlantic Ocean; whereas in the Brazilian coastal sea, the main bacterial members were Synechococcus and SAR11. With respect to archaea, Euryarchaeota were predominant in the Atlantic Ocean and Thaumarchaeota in the Mediterranean Sea. With respect to the eukaryotes, Syndiniales, Spumellaria, Cryomonadida, and Chlorodendrales were predominant in the open ocean, while diatoms and microzooplankton were dominant in the coastal sea. Distinct clusters of prokaryotes and eukaryotes displayed clear spatial heterogeneity. Among the environmental parameters measured, temperature and salinity were key factors controlling bacterial and archaeal community structure, respectively, whereas N/P/Si contributed to eukaryotic variation. The relative contribution of environmental parameters to the microbial distribution pattern was 45.2%. Interaction analysis showed that Gammaproteobacteria, Alphaproteobacteria, and Flavobacteriia were the keystone taxa within the positive-correlation network, while Thermoplasmata was the main contributor in the negative-correlation network. Our study demonstrated that microbial communities are co-governed by environmental filtering and biotic interactions, which are the main deterministic driving factors modulating the spatiotemporal patterns of marine plankton synergistically at the regional or global levels.


Assuntos
Archaea/isolamento & purificação , Bactérias/isolamento & purificação , Biodiversidade , Água do Mar/microbiologia , Archaea/classificação , Archaea/genética , Archaea/crescimento & desenvolvimento , Oceano Atlântico , Bactérias/classificação , Bactérias/genética , Bactérias/crescimento & desenvolvimento , Brasil , Mar Mediterrâneo , Filogenia , Água do Mar/química
13.
Kidney Blood Press Res ; 42(4): 686-696, 2017.
Artigo em Inglês | MEDLINE | ID: mdl-29145203

RESUMO

BACKGROUND/AIMS: Psychological complications are prevalent in patients with chronic kidney disease (CKD). This study aimed to investigate mental disorders in stage 4-5 CKD patients, to detect metabolite concentrations in the brain by proton magnetic resonance spectroscopy (1H-MRS) and to compare the effects of different dialysis therapies on mental disorders in end-stage renal disease (ESRD). METHODS: The sample population was made up of predialysis (13), hemodialysis (HD) (13), and peritoneal dialysis (PD) patients (12). We collected the baseline data of patients' age, sex, hemoglobin (Hb) and parathyroid hormone(PTH) levels. The predialysis patients served as the control group. The psychological status of the three groups was assessed using three psychological scales. 1H-MRS was used to evaluate the relative metabolite concentrations in the bilateral amygdala, hippocampus and unilateral anterior cingulated cortex (ACC). RESULTS: The psychological status was better in HD patients than in predialysis and PD patients. 1H-MRS alterations were predominantly found in the ACC. Choline-containing compounds relative to creatine (Cho/Cr), myo-inositol relative to creatine (MI/Cr) and glutamate and glutamine relative to creatine (Glx/Cr) in the ACC were higher in HD patients. 1H-MRS results were correlated with the baseline data and the scores of psychological scales. CONCLUSIONS: CKD patients showed different types of mental disorders as well as metabolite disturbances in the brain. The metabolite concentrations correlated with the psychological status which was better in HD than in predialytic and PD patients.


Assuntos
Transtornos Mentais/diagnóstico , Espectroscopia de Prótons por Ressonância Magnética/métodos , Insuficiência Renal Crônica/psicologia , Adulto , Idoso , Estudos de Casos e Controles , Giro do Cíngulo/metabolismo , Humanos , Falência Renal Crônica/metabolismo , Falência Renal Crônica/psicologia , Transtornos Mentais/metabolismo , Pessoa de Meia-Idade , Diálise Renal , Insuficiência Renal Crônica/metabolismo
14.
Anal Chem ; 87(21): 11072-7, 2015 Nov 03.
Artigo em Inglês | MEDLINE | ID: mdl-26460174

RESUMO

This paper reports on a novel method for the rapid determination of the shale porosity by double headspace extraction gas chromatography (DHE-GC). Ground core samples of shale were placed into headspace vials and DHE-GC measurements of released methane gas were performed at a given time interval. A linear correlation between shale porosity and the ratio of consecutive GC signals was established both theoretically and experimentally by comparing with the results from the standard helium pycnometry method. The results showed that (a) the porosity of ground core samples of shale can be measured within 30 min; (b) the new method is not significantly affected by particle size of the sample; (c) the uncertainties of measured porosities of nine shale samples by the present method range from 0.31 to 0.46 p.u.; and (d) the results obtained by the DHE-GC method are in a good agreement with those from the standard helium pycnometry method. In short, the new DHE-GC method is simple, rapid, and accurate, making it a valuable tool for shale gas-related research and applications.

15.
Zhongguo Zhong Yao Za Zhi ; 38(11): 1751-6, 2013 Jun.
Artigo em Zh | MEDLINE | ID: mdl-24010290

RESUMO

OBJECTIVE: To study the chemical constituents of Elephantopus tomentosus. METHOD: The compounds were isolated by repeated HP20 macro porous adsorption resin column combined with Sephadex LH-20, ODS and silica gel chromatographies. The structures were identified on the basis of extensive spectroscopic data analysis and by comparison of their spectral data reported. RESULT: Eighteen compounds were identified as 2-deethoxy-2beta-hydroxyphantomolin (1), 2beta-hydroxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate (2), 2beta-methoxy-2-deethoxyphantomolin (3), 2beta-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate (4), molephantin (5), molephantinin (6), tricin (7), luteolin (8), quercetin (9), 3beta-friedelinol (10), 3beta-hydroxyolean-12-en-28-oic acid (11), 3, 5-di-O-caffeoyl quinic acid (12), 3,4-di-O-caffeoyl quinic acid (13), syringaresinol-4-beta-D-glucopyranoside (14), xylogranatinin (15), byzantionoside B (16), 2'-hydroxycinnamaldehyde (17), and caffeic acid ethyl ester (18). CONCLUSION: Compounds 9, 11, 14-18 were separated from Elephantopus for the first time.


Assuntos
Asteraceae/química , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/isolamento & purificação , Espectrometria de Massas , Estrutura Molecular
16.
J Chromatogr A ; 1665: 462825, 2022 Feb 22.
Artigo em Inglês | MEDLINE | ID: mdl-35065461

RESUMO

Determining the methanol partition coefficient (Kow) in octanol/water system is important to assess the risk of its impact to humans and the environment. In this paper, we report a novel method for the determination of the Kow of methanol with headspace gas chromatography (HS-GC), using a three-phase equilibrium-based phase ratio variation approach. Three headspace vials with different phase ratios [(1) 0.2 mL of water plus 3 mL of octanol, (2) 1 mL of water plus 3 mL of octanol and (3) 1 mL of water plus 10 mL of octanol] were used in the experiment. After pre-standing at 25 °C for > 10 h and equilibrating in the headspace oven at a temperature of interest for additional 25 min, the methanol signals of the vapor phase (i.e., the headspace) in these vials were measured by HS-GC, from which the Kow of methanol can be calculated based on the established equations. The results showed that the method has good precision (within 0.06 log unit in standard deviation) and acceptable accuracy (with method error within 0.5 log unit). A correlation between the Kow of methanol and temperature extrapolated the Kow values in a temperature range of interest. The present method represents a simple and in-situ approach for the determination of the Kow of methanol and is also suitable to be applied to other volatile compounds.


Assuntos
Metanol , Água , Cromatografia Gasosa , Gases , Humanos , Metanol/análise , Octanóis
17.
Mitochondrial DNA B Resour ; 6(8): 2139-2141, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34250238

RESUMO

Daphne retusa Hemsl. (Thymelaeaceae) is an evergreen shrub plant. First, we characterized the complete nucleotide sequence of chloroplast (cp) genome of D. retusa. The total length of cp genome was found to be 170,553 bp, including a large single copy (LSC) region of 84,886 bp, a small single copy (SSC) region of 2,437 bp, and a pair of inverted repeats (IRs) of 41,617 bp. The cp genome of Daphne retusa Hemsl. contains 134 genes, including 90 protein-coding genes (75 PCG species), 37 transfer RNA genes (29 tRNA species), and 6 rRNA genes (3 RNA species). A total of 13 genes (trnK-UUU, trnS-CGA, atpF, rpoC1, trnL-UAA, trnC-ACA, petD, rpl16, rpl2, ndhB, trnE-UUC, ndhA, and trnA-UGC) contain a single intron, and one gene (ycf3) contains two introns. The GC content in whole cp genome, LSC region, SSC region, and IR region was 36.75%, 34.83%, 28.19%, and 38.96% respectively, like other Thymelaeaceae plants. Phylogenetic analysis suggested that D. retusa has a close relationship with congeneric Daphne tangutica.

18.
Life (Basel) ; 10(9)2020 Sep 16.
Artigo em Inglês | MEDLINE | ID: mdl-32948021

RESUMO

Essential oil components of Nelumbo nucifera flowers from cultivated and wild lotus samples were analyzed and compared using three different extraction techniques, i.e., headspace extraction (HE), steam distillation (SD) and solvent extraction (SE), coupled with GC-MS. Forty-two peaks in the GC-MS analysis were identified as essential oil components extracted by the three methods from N. nucifera flower. The major essential oil components extracted by SD method were found to be Z,Z-10,12-hexadecadienal and E-14-hexadecenal with relative contents of 16.3% and 16.7%, respectively, which is different from that of SE method, i.e., n-hexadecanoic acid and Z,Z-9,12-octadecadienoic acid accounting for 25.8% and 26.8%, respectively. HE method demonstrated a possibility to be used as an in situ and simplest method for extracting the essential oil components from raw materials. By adding a small amount of glycerinum onto the surface of the air-dried flower sample as a solvent trap in the HE method, the volatility of the essential oil components was found to increase by two times for the first time, which could be further utilized to improve the extraction efficiency and the recovery of the essential oil components from other materials for more applications. In addition, the comparison of essential oil components between cultivated and wild samples showed that they differed only in the chemical contents but not in chemical components. This will be a comprehensive report on the chemical information of the essential oil components of N. nucifera flower and provide guidance for its further exploration as high value-added products in the food and healthcare industries.

19.
J Chromatogr A ; 1621: 461024, 2020 Jun 21.
Artigo em Inglês | MEDLINE | ID: mdl-32178862

RESUMO

Screening for anti-anaerobic drug candidates is still challenging although the anaerobic bacteria are important sources for human infections, because the method for anti-anaerobic activity testing is not readily available with low-cost and -expertise. We report a novel method for the determination of the anti-anaerobic activity of drug candidates by automated headspace-gas chromatography (HS-GC). Anaerobic bacteria were inoculated in an anaerobic atmosphere or rapidly using sterile syringe in an air-tight manner, and incubated with and without drugs for 48 h. The metabolic acidities of the cultured media were used as an indicator of cell activities and measured as end-products in place by HS-GC after being completely converted to CO2 with sodium bicarbonate. The present method is precise (relative standard deviation is below 5%) and validated by excellent agreements with a reference method on the determinations of the inhibition rates (root-mean-square error = 10%, n = 48) and half maximal inhibitory concentrations (R2 = 0.996, n = 8) of both pure drug compounds and plant extracts. Advantageously, the present method is sensitive in response to cell activity, safe with regard to cross contamination, and suitable for routine screening of diversified drug candidates for anti-anaerobic activity.


Assuntos
Antibacterianos/farmacologia , Avaliação Pré-Clínica de Medicamentos/métodos , Bactérias Anaeróbias/efeitos dos fármacos , Bactérias Anaeróbias/metabolismo , Cromatografia Gasosa/métodos , Meios de Cultura
20.
Food Chem ; 271: 211-215, 2019 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-30236669

RESUMO

Volatile aroma of kiwifruit is a mixture of complicated and time-dependent compounds, and thereby the study of these compounds required distinguished analytical techniques as well as robust data analysis techniques. In this work, we report on the volatile fingerprints and biomarkers of three representative kiwifruit cultivars with commercial importance using headspace solid-phase microextraction gas chromatography-mass spectrometric (HS-SPME-GC-MS) coupled with multivariate analysis. As a result, 95 volatiles have been analyzed from the fingerprints, and ultimately six of which were identified as volatile biomarkers of the kiwifruit cultivars studied, which are formic acid octyl ester, 2-Methylbicyclo[4.3.0]non-1(6)-ene, 1-ethoxy-2,4-hexadiene, and 2-methyl-5-(1-methylethyl)-bicyclo[3.1.0]hex-2-ene for Jintao (A. chinensis), and 1-methoxy-2-methyl-benzene and (E,E)-2,4-heptadienal for Cuiyu (A. deliciosa), respectively. Since the samples of each cultivar were in various maturities, these compounds could be taken as the maturity-independent volatile biomarkers for the kiwifruit cultivars, which would be valuable for marker-assisted flavour breeding in the kiwifruit production.


Assuntos
Actinidia/química , Cromatografia Gasosa-Espectrometria de Massas/métodos , Microextração em Fase Sólida/métodos , Compostos Orgânicos Voláteis/análise , Biomarcadores , Melhoramento Vegetal
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