An official website of the United States government
Here’s how you know
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
... Synthetic cathinones (SCs) constitute a heterogenous class of new psychoactive substances (NPS), structurally related to cathinone. SCs represent the widest NPS class, second to synthetic cannabinoids, accounting for approximately 160 different analogues with substitution at the phenyl group, the amine group, or the alkyl chain. In 2020, α-pyrrolidonophenone analogues were the most trafficked SCs, ...
amino acid metabolism; beta oxidation; biomarkers; carnitine; chemical species; derivatization; humans; liquid chromatography; metabolites; mitochondria; patients; tandem mass spectrometry
Abstract:
... Acylcarnitines are intermediate metabolites of the mitochondria that serve as biomarkers for inherited disorders of fatty acid oxidation and amino acid metabolism. The prevailing clinical method used to quantify acylcarnitines involves flow-injection tandem mass spectrometry, an approach with a number of limitations; foremost the inability to separate and therefore distinguish key isobaric acylcar ...
Cuscuta; data collection; databases; hydrophilic interaction chromatography; isomerization; liquids; mass spectrometry; metabolites; metabolomics; prediction; quality control; reversed-phase liquid chromatography
Abstract:
... Challenges encountered in plant metabolites characterization by liquid chromatography/mass spectrometry can arise from the insufficient chromatography separation, the lack of specific database, and low reliability of identification because of the ubiquitous isomerism. Herein, we present an integral approach, by combining comprehensive off-line two-dimensional liquid chromatography/ion mobility-qua ...
S-adenosylmethionine; betaine; breast neoplasms; cystathionine; cysteine; cystine; glutathione; homeostasis; homocysteine; liquid chromatography; metabolism; metabolites; metabolomics; methylation; quantitative analysis; serine; tandem mass spectrometry; tetrahydrofolic acid
Abstract:
... The methionine transsulfuration pathway plays an important role in some fundamental biological processes, such as redox and methylation reactions. However, quantitative analysis of the majority of intracellular metabolites is rather challenging. In this study, we developed a simple, fast and reliable method using liquid chromatography–tandem mass spectrometry (LC–MS/MS) for the simultaneous detect ...
... Both luteolin (LUT) and resveratrol (RES) are natural polyphenols that exert therapeutic effects on liver injuries. Extensive glucuronidation by uridine diphosphate-glucuronosyltransferases 1As (UGT1As) results in poor bioavailability of LUT, which limits its clinical application. As an inhibitor of UGT1A1 and UGT1A9, RES may affect the bioavailability of LUT. The purpose of this study was to deve ...
... Inborn errors of dopamine and serotonin metabolism are diseases caused by deficiencies in enzymes belonging to metabolic pathways. The specific diagnosis of these inborn illnesses is based on the identification and quantification of biomarkers in cerebrospinal fluid (CSF), especially: 5-hydroxy-tryptophane (5-HTP), 5-hydroxy-indol-acetic acid (5-HIAA), 3-ortho-methyl-DOPA (3-OMD), homovanillic aci ...
... A new ‘shape-orientated’ continuous wavelet transform (CWT)-based algorithm employing an adapted Marr wavelet (AMW) with a shape matching index (SMI), defined as peak height normalized wavelet coefficient (C′max/H) for feature filtering, was developed for chromatographic peak detection and quantification. Exploiting the chromatographic profile of a candidate peak, AMW-SMI algorithm emphasizes more ...
... A new method involving gut microbiota biotransformation, spectrum-effect relationship analysis and metabolomics analysis was developed to study the antitussive and expectorant microbial metabolites of platycosides fraction (MPFs) of Platycodonis Radix. Furthermore, their possible metabolic mechanisms were studied for the first time. The findings showed that the antitussive and expectorant effects ...
... An UHPLC/LC-MS was founded to detect balanophorin B (B), gallic acid (GA), 4-hydroxycinnamic acid (HC), and their in vivo profiling in rats, after oral administration of the ethanol extract of Balanophora simaoensis S. Y. Chang et Tam. The in vivo dynamic existence of 3 molecular entities in rats and the multistep biotransformation of GA were elucidated by their sensitive mass spectrometry respons ...
Oriental traditional medicine; aromatic compounds; biochemical polymorphism; chemical composition; gas chromatography-mass spectrometry; metabolites; multivariate analysis; principal component analysis; sesquiterpenoids; tandem mass spectrometry; ultra-performance liquid chromatography
Abstract:
... Agarwood is a well-known and precious traditional Chinese medicine, has been widely applied as drugs and spices for century. The large demand for this material has deeply stimulated the emergence of numerous cultivated products. However, it is difficult to distinguish wild agarwood from cultivated agarwood, and the chemical composition difference between them is not clear. In this study, an integr ...
... To comprehensively elucidate the herbal metabolites is crucial in natural products research to discover new lead compounds. Ginsenosides are an important class of bioactive components from the Panax plants exerting the significant tonifying effects. However, to identify new ginsenosides by the conventional strategies trends to be more and more difficult because of the large spans of acid-base prop ...
Oriental traditional medicine; coumarins; data collection; flavonoids; liquid chromatography; metabolites; oral administration; phthalides; prediction; rats; saponins; tandem mass spectrometry
Abstract:
... QiangHuoShengShi decoction (QHSS) was an ancient and classical traditional Chinese medicine (TCM) prescription. In the previous study, its phytochemical fingerprint had been comprehensively characterized. However, no reports were available on its absorbed prototypes and the related metabolites in rat plasma samples. In this study, an intelligent and innovate analysis strategy was built for charact ...
... Amino acids (AAs) are important metabolites that are related with diabetes. However, their roles in the initiation and development of diabetes mellitus (DM), especially in the treatment of Ginkgo biloba leaves extract (GBE) have not been fully explored. Thus, we investigated the roles that AAs played in the progression and GBE supplementation of DM rat induced by streptozotocin. The rats were rand ...
acrolein; blood proteins; centrifugation; colorimetry; cyclophosphamide; detection limit; electrochemistry; evaporation; fluorescence; high performance liquid chromatography; metabolites; rats; sodium; standard deviation; sulfonates; tandem mass spectrometry; therapeutics; toxicity
Abstract:
... Sodium 2-mercaptoethane sulfonate (MESNA) is a thiol-containing compound that has proven to be effective in inactivating acrolein, the toxic metabolite of some anti-cancer drugs (e.g., cyclophosphamide and ifosphamide). Also, it scavenges free radicals which cause numerous disorders by attacking biological molecules. Current methods available to analyze MESNA in biological matrices include colorim ...
... Metabolic phenotyping studies using mouse liver extracts as a model, performed on a novel zwitterionic HILIC UHPLC column, which is based on ethylene-bridged hybrid organic/inorganic particles bonded with sulfobetaine groups and packed into column hardware modified with hybrid surface technology are reported. Initially the chromatographic performance was evaluated under different mobile phase cond ...
Enterococcus; Rubus occidentalis; anthocyanins; arginine; biosynthesis; colon; dysbiosis; human health; humans; intestinal microorganisms; irritable bowel syndrome; liquid chromatography; lysine; mass spectrometry; metabolites; metabolomics; models; obesity; pH; proline; ribosomal DNA; temperature
Abstract:
... Human gut microbiota is critical for human health, as their dysbiosis could lead to various diseases such as irritable bowel syndrome and obesity. Black raspberry (BRB) has been increasingly studied recently for its impact on gut microbiota as a rich source of phytochemicals (e.g., anthocyanin). To investigate the effect of BRB extract on the gut microbiota composition and their metabolism, an in- ...
... Wu-tou decoction (WTD) is a traditional Chinese medicine (TCM) formula which has been used for treating rheumatoid arthritis (RA) for a thousand years. However, the underlying mechanism of WTD in treating RA is still unclear. In recent years, more and more attention has been paid to the role of gut microbiota and microbiota-derived metabolites in the treatment of RA. Hence, this study aims to inve ...
Syzygium malaccense; acetonitrile; chemical composition; countercurrent chromatography; electrospray ionization mass spectrometry; ethyl acetate; flavonoids; food plants; fractionation; hexane; leaf extracts; metabolites; nuclear magnetic resonance spectroscopy; solvents; trees; Brazil; Malaysia
Abstract:
... Syzygium malaccense (L.) Merr. & L.M. Perry is a native tree to Malaysia, but also occurs in other tropical regions of the world, including Brazil. The increasing interest in the consumption of its leaves motivated the investigation of compounds of the plant. Metabolite profiling of S. malaccense leaves was achieved by high-speed countercurrent chromatography (HSCCC) fractionation coupled off-line ...
Thoroughbred; biomarkers; chemical species; electrospray ionization mass spectrometry; liquid chromatography; liquids; metabolic studies; metabolism; metabolites; nicotine; risk; smoke; urine
Abstract:
... Nicotine is classified as a stimulant, and its use is banned in horse racing and equestrian sports by the International Federation of Horseracing Authorities and the Fédération Équestre Internationale, respectively. Because nicotine is a major alkaloid of tobacco leaves, there is a potential risk that doping control samples may be contaminated by tobacco cigarettes or smoke during sample collectio ...
hydrophilic interaction chromatography; lipidomics; lipids; mass spectrometry; metabolites; metadata
Abstract:
... Metabolomics deals with the large-scale analysis of metabolites, belonging to numerous compound classes and showing an extremely high chemical diversity and complexity. Lipidomics, being a subcategory of metabolomics, analyzes the cellular lipid species. Both require state-of-the-art analytical methods capable of accessing the underlying chemical complexity. One of the major techniques used for th ...
... A novel method for simultaneous quantification of cyclophosphamide along with its two major metabolites namely 4-hydroxycyclophosphamide (HCy) and carboxyethyl phosphoramide mustard (CEPM) in a single sample run was demonstrated in the present study. A liquid chromatography-tandem mass spectrometry (LC-MS/MS) instrument was used for analysis. Semicarbazide was used as a stabilizing agent for HCy w ...
data collection; databases; high performance liquid chromatography; mass spectrometry; metabolites; neural networks; prediction; reversed-phase liquid chromatography
Abstract:
... Retention time prediction in high-performance liquid chromatography (HPLC) is the subject of many studies since it can improve the identification of unknown molecules in untargeted profiling using HPLC coupled with high-resolution mass spectrometry. Lots of approaches were developed for retention time prediction in liquid chromatography for a different number of molecules considering various molec ...
... In cases of low concentration paraquat (PQ) poisoning, as the disease progresses over a long period of time, the prototype PQ may not be detected in the urine, which has a significant negative impact on the precise treatment of the poisoning. But PQ poisoning can also be confirmed by the detection of specific metabolites of PQ in the urine samples. In the present study, core-shell amphiphilic carb ...
... Thyroid hormones (THs) play a critical role in the regulation of biological processes, such as growth, metabolism, and development, in various animal species. Prohormone L-thyroxine (T4) is secreted from the thyroid gland and carried to peripheral tissues. T4 is then biotransformed to several metabolites which play different roles, mainly by iodothyronine deiodinases. Determination of deiodinated ...
Vasileios Tsamis; Eleni Tsanaktsidou; Christina Karavasili; Constantinos K. Zacharis; Nikolaos Bouropoulos; Dimitrios G. Fatouros; Catherine K. Markopoulou
cortisol; experimental design; high performance liquid chromatography; intestines; lipids; mass spectrometry; metabolism; metabolites; permeability; sulfamethazine; sulfasalazine; ulcerative colitis
Abstract:
... Controlled-release tablets and rectal suppositories of sulfasalazine (SLF) and hydrocortisone 21-acetate (HA) were prepared as recommended dosage forms for the treatment of acute episodes of ulcerative colitis, in patients who do not respond to monotherapy. A High-Performance Liquid Chromatography (HPLC) Diode-array method with a gradient elution mobile phase was developed to evaluate the producti ...
Food and Drug Administration; blood serum; chemical species; drugs; epidermal growth factor; humans; liquid chromatography; lung neoplasms; metabolites; tandem mass spectrometry; therapeutics
Abstract:
... Reports on the therapeutic drug monitoring (TDM) of second- and third-generation epidermal growth factor receptor-tyrosine kinase inhibitors (EGFR-TKIs) in non-small cell lung cancer patients are limited and are required to improve the safety of EGFR-TKI therapy. Some EGFR-TKIs have active metabolites with similar or higher potency compared with the parent compounds; thus, monitoring the parent co ...
antiviral agents; chemical species; chickens; ducks; electrospray ionization mass spectrometry; hydrophilic interaction chromatography; influenza; markets; metabolites; methanol; multiresidue analysis; muscles; poultry meat; quails; quantitative analysis; spectrometers; tandem mass spectrometry
Abstract:
... The objective of this work was to develop a quantitative multi-residue method for analysing antiviral drug residues and their metabolites in poultry meat samples. Antiviral drugs are not licensed for the treatment of influenza in food producing animals. However, there have been some reports indicating their illegal use in poultry. In this study, a method was developed for the analysis of 15 antivi ...
... Contezolid is a novel oxazolidinone antibiotic with good antibacterial activity against gram-positive bacteria including methicillin-resistant Staphylococcus aureus. For the purpose to further characterize the pharmacokinetics of contezolid and its major metabolite M2, accurate and rapid ultra-performance liquid chromatography-tandem mass spectrometric assays (UPLC-MS/MS) were developed and valida ...
Kauê de Oliveira Chinaglia; Ana Carolina Furiozo Arantes; Kelly Francisco da Cunha; Eduardo Geraldo de Campos; Júlia Martinelli Magalhães Kahl; Leonardo Costalonga Rodrigues; Jose Luiz Costa
calibration; chemical species; forensic sciences; freezers; liquid chromatography; metabolites; music; quantitative analysis; refrigerators; tandem mass spectrometry; toxicology; Brazil
Abstract:
... The aim of this study was to develop a quantitative method for the analysis of methylphenidate, the analog ethylphenidate and their metabolite ritalinic acid in oral fluid, using micro-QuEChERS extraction and liquid chromatography–tandem mass spectrometry (LC–MS/MS). Oral fluid samples were collected with Quantisal™ device, extracted by micro-QuEChERS technique and analyzed by LC–MS/MS. The develo ...
... Diabetic retinopathy (DR) is the most common microvascular complication of diabetes and a leading cause of vision impairment and blindness, which lacks effective diagnostic measures and therapeutic options. Sophora flavescens Aiton or “Kushen” is a traditional Chinese medicine used since ancient times, either alone or in combination, to clear heat, dampness, and tearing, and to treat ocular diseas ...
... Non-protein amino acids are important metabolites of the Fabaceae family, possessing valuable biological effects in addition to their toxic properties. We have previously identified two non-protein amino acids homoproline and homopipecolic acid in Ononis species for the first time, and herein the study was extended to investigate further Fabaceae species (O. spinosa, O. arvensis, M. sativa, A. vul ...
Amanda Suárez Fernández; Adriana González Gago; Francisco Artime Naveda; Javier García Calleja; Anna Zawadzka; Zbigniew Czarnocki; Juan Carlos Mayo Barrallo; Rosa M. Sainz Menéndez; Pablo Rodríguez-González; J. Ignacio García Alonso
cell culture; humans; ionization; isotope dilution technique; isotope labeling; liquid chromatography; melatonin; metabolites; prostatic neoplasms; tandem mass spectrometry
Abstract:
... We evaluate here different analytical strategies for the chromatographic separation and determination of N-acetyl-5-methoxytryptamine (MEL) and its oxidative metabolites N1-acetyl-N2-formyl-5-methoxykynuramine (AFMK), N1-acetyl-5-methoxykynuramine (AMK) and cyclic 3-hydroxymelatonin (c3OHM) in cell culture samples. Two dimensional liquid chromatography (2D-LC) in the multiple heart-cutting mode wa ...
Leonid V. Lopukhov; Anna V. Balandina; Lilia S. Nigmatullina; Adelya F. Mullakhmetova; Gulnaz E. Synbulatova; Alexander V. Laikov; Victor L. Lopukhov; Tatiana V. Grigoryeva
... Liquid chromatography (LC) - mass spectrometry quantitative analysis of substances in biological samples is usually performed in the multiple reaction monitoring (MRM) variant. In complex biological matrices, strong interferences can be observed when using the LC-MRM method. Interference levels can be significantly reduced by using LC - multiple reaction monitoring cubed (MRM³). 6-sulfatoxymelaton ...
... LC-MS metabolomic analysis in complex biological matrices may be complicated by degeneracy when using large-bore columns. Degeneracy is the detection of multiple mass spectral peaks from the same analyte due to adduction of salts to the metabolite, dimerization, or loss of neutrals. This introduces interferences to the MS spectra, diminishes quantification, and increases the rate of false identifi ...
... Gut microbiota is associated with tumor progress and host metabolic disorder, but whether gut microbiota regulation can affect cancer growth through interfering host metabolism maintains unknown yet. Here, we used combined antibiotics (ABX) to build an extremely altered gut microbiota ecosystem and study its influence on the xenograft MC38 tumor as well as the associations of the effects with host ...
Oriental traditional medicine; anthraquinones; chromatography; data collection; metabolites; prototypes
Abstract:
... In traditional Chinese medicine (TCM), components with identical nuclei often share structural similarity, indicating the possibility of similar second-level mass spectrometry (MS/MS) fragments. High-resolution product-ion filter (HRPIF) technique can be utilized to identify metabolites, with similar fragments, in vivo. In principle, this technique applies to TCM; however, its application has been ...
acetonitrile; chemical species; environmental monitoring; epidemiology; hydroxylation; metabolites; methanol; polymers; quality control; sodium acetate; solid phase extraction; solvents; urine; variance; New York
Abstract:
... Efficient and reproducible measurements of multiple polycyclic aromatic hydrocarbon (PAH) metabolites in urinary samples are required to evaluate the complex health effects of PAH exposure. Here, we demonstrate a highly practical, automated off-line solid-phase extraction (SPE) of deconjugated hydroxylated PAHs followed by LC-MS/MS to simultaneously measure eight mono-hydroxylated PAH compounds: 1 ...
Danio rerio; Oriental traditional medicine; absorption; daidzein; demethylation; desorption; electrospray ionization mass spectrometry; excretion; formononetin; glibenclamide; glycemic effect; glycosylation; hydroxylation; metabolites; research planning
Abstract:
... Traditional Chinese medicine (TCM) has been used in clinical settings for over 2000 years in China. The study of the absorption, distribution, metabolism, and excretion (ADME) of TCM in vivo could be beneficial for the discovery of the active components in TCM. However, the conventional strategies used for ADME research are based on rodent models and have the characteristics of lengthy experimenta ...
... Amine/phenol submetabolome has shown critical role in clinical cancer screening and therapy. In suit derivatization has widely applied in the analysis of amine/phenol submetabolome by LC/MS for simplifying the pretreatment procedures, improving the separation and sensitivity. However, the complexity of biological matrix and trace amount of metabolites in plasma that lead to the limited detection c ...
ammonium acetate; chemical species; high performance liquid chromatography; hindlimbs; mass spectrometry; metabolites; mice; phosphates; ultra-performance liquid chromatography
Abstract:
... ATP and its degradation products are essential metabolic and signaling molecules. Traditionally, they have been quantified via high-performance liquid chromatography (HPLC) with UV-Vis detection while utilizing phosphate buffer mobile phase, but this approach is incompatible with modern mass detection. The goal of this study was to develop an ultra-performance liquid chromatography (UPLC) method f ...
... The pharmacological effects and therapeutic targets of naringin (NG) against osteoporosis (OP) is still unclear. Liquid chromatography quadrupole time-of-flight mass spectrometry (LC-Q-TOF/MS) based non-targeted metabonomics has been used to explore the differentiated metabolites and potential biological pathways of NG in the pathological process of OP. Using network pharmacology analysis, the key ...
... The conditionally essential amino acid arginine and its metabolic products play an important role in different biological processes, such as metabolic regulation of the immune response, including macrophage activation and polarization and regulation of T cell function. Furthermore, the polyamine spermidine has a role in aging and age-related diseases. Additionally, altered polyamine metabolism may ...
acetone; decontamination; environmental monitoring; ethyl acetate; fluorenes; gels; hexane; humans; hydroxylation; liquid chromatography; liquid-liquid extraction; metabolites; methylene chloride; naphthalene; permeability; phenanthrenes; sodium hydroxide; solid phase extraction; tandem mass spectrometry; China
Abstract:
... A method was developed for the simultaneous determination of polycyclic aromatic hydrocarbons (PAHs) and their hydroxylated metabolites (OH-PAHs) in human fingernails using liquid–liquid extraction and online purification. After surface decontamination by rinsing with acetone, the fingernails were digested with sodium hydroxide and subjected to liquid–liquid extraction with a mixture of n-hexane a ...
acetonitrile; ambient temperature; blood sampling; cancer therapy; chemical species; electrospray ionization mass spectrometry; fluorouracil; formic acid; health services; isotope labeling; liquid chromatography; metabolites; pharmacokinetics; toxicity
Abstract:
... 5-fluorouracil (5-FU) and its oral formulation, capecitabine, are widely used in treating a range of malignancies, either alone or in combination with other antineoplastic drugs. Body surface area-based dosing is used for these agents, despite this approach leading to substantial variability in drug exposure and often resulting in either toxicity or treatment failure. Tailoring therapeutic regimen ...
biomarkers; body weight; energy; food intake; high protein diet; liquid chromatography; males; mass spectrometry; metabolism; metabolites; metabolomics; models; rats; skeletal muscle; urinalysis; urine; weight loss
Abstract:
... Previous studies have indicated high-protein diet (HPD) promotes weight loss and improves metabolic parameters, but most of these studies have focused on the impact of short-term, long-term effects remain unclear. In this study, male Wistar rats were fed two diets for 88 weeks: normal control diet (NCD, 20.5% of energy as protein) or HPD (30.5% of energy as protein). At 88 weeks intervention, comp ...
Piaractus mesopotamicus; algorithms; automation; chemical species; comprehensive two-dimensional gas chromatography; derivatization; farmed fish; metabolites; metabolome; rice; variance; Argentina
Abstract:
... Integration of rice and fish farming, eg., pacu fish in Argentina, has raised concern that herbicides used for rice paddies may adversely affect the fish metabolome. To study this issue, tile-based Fisher ratio (F-ratio) analysis was applied to comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (GC × GC-TOFMS) data of pacu fish raised in an integrated rice-fish ...
Henrique Dipe de Faria; Alberto Thalison Silveira; Beatriz Carvalho do Prado; Julia Louise Moreira Nacif; Mariana Azevedo Rosa; Juliana da Rocha dos Santos; Paulo Caleb Júnior Lima Santos; Eduardo Costa Figueiredo; Isarita Martins
... Untreated samples were injected directly into a column switching system, an online SPE technique, using an extraction column packed with restricted access hybrid carbon nanotubes (RAHCNTs), a novel type of restricted access material, in an ultra-high performance liquid chromatography, coupled to a mass spectrometer (UHPLC–MS/MS). The synthesis of used restricted access material was relatively simp ...
... Acetaminophen (paracetamol, APAP) is one of the most widely used drugs worldwide. Unfortunately, its overdose, which is caused by predominant oxidation of APAP, can lead to acute liver injury. In liver, oxidized APAP is conjugated with glutathione, leading to APAP-glutathione conjugate, which is metabolized to APAP-cysteine and APAP-N-acetylcysteine conjugates. Thus, all of those compounds could b ...
Oriental traditional medicine; emodin; lignans; mass spectrometry; metabolites; metabolome; pancreatitis; pharmacodynamics; quality control; rats; resveratrol; ultra-performance liquid chromatography; China
Abstract:
... Yi-Yi Mixture, an efficient Chinese medicine preparation composed of four herbal medicines, has been used in clinical practice in China for the treatment of acute pancreatitis over twenty years. However, its functional materials against acute pancreatitis remains unclear, which is a huge obstacle for quality control. In this study, a metabolome-oriented network pharmacology strategy was proposed t ...
antipsychotics; benzodiazepines; blood; chemical species; data collection; databases; human resources; liquid chromatography; liquid-liquid extraction; mass spectrometry; metabolites; therapeutics; toxicity testing
Abstract:
... Routine toxicological analysis requires broad screening for a large number of therapeutically prescribed and other compounds, and/or their metabolites. This article specifically focuses on three classes of psychoactive substances: antidepressants (ADs), antipsychotics (APs) and benzodiazepines and Z-drugs (BZDs). Two screening methods were compared for their ease-of-use in a routine setting, based ...