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JACC. Heart Failure Sep 2019
Topics: Adrenergic beta-Antagonists; Carvedilol; Cocaine; Heart Failure; Humans; Propanolamines
PubMed: 31466674
DOI: 10.1016/j.jchf.2019.07.002 -
Analytical and Bioanalytical Chemistry Apr 2023The benefits of combining drift time ion mobility (DTIMS) with liquid chromatography-high-resolution mass spectrometry (HRMS) have been reported for metabolomics but the...
The benefits of combining drift time ion mobility (DTIMS) with liquid chromatography-high-resolution mass spectrometry (HRMS) have been reported for metabolomics but the use of differential time mobility spectrometry (DMS) is less obvious due to the need for rapid scanning of the DMS cell. Drift DTIMS provides additional precursor ion selectivity and collisional cross-section information but the separation resolution between analytes remains cell- and component-dependent. With DMS, the addition of 2-propanol modifier can improve the selectivity but on cost of analyte MS response. In the present work, we investigate the liquid chromatography-mass spectrometry (LC-MS) analysis of a mix of 50 analytes, representative for urine and plasma metabolites, using scanning DMS with the single modifiers cyclohexane (Ch), toluene (Tol), acetonitrile (ACN), ethanol (EtOH), and 2-propanol (IPA), and a binary modifier mixture (cyclohexane/2-propanol) with emphasis on selectivity and signal sensitivity. 1.5% IPA in the N stream was found to suppress the signal of 50% of the analytes which could be partially recovered with the use of IPA to 0.05% as a Ch/IPA mixture. The potential to use the separation voltage/compensation voltage/modifier (SV/CoV/Mod) feature as an additional analyte identifier for qualitative analysis is also presented and applied to a data-independent LCxDMS-SWATH-MS workflow for the analysis of endogenous metabolites and drugs of abuse in human urine samples from traffic control.
Topics: Humans; 2-Propanol; Mass Spectrometry; Chromatography, Liquid; Spectrum Analysis; Metabolomics
PubMed: 36820908
DOI: 10.1007/s00216-023-04602-0 -
Molecules (Basel, Switzerland) Jun 2020The impaired activity of tyrosinase and laccase can provoke serious concerns in the life cycles of mammals, insects and microorganisms. Investigation of inhibitors of...
The impaired activity of tyrosinase and laccase can provoke serious concerns in the life cycles of mammals, insects and microorganisms. Investigation of inhibitors of these two enzymes may lead to the discovery of whitening agents, medicinal products, anti-browning substances and compounds for controlling harmful insects and bacteria. A small collection of novel reversible tyrosinase and laccase inhibitors with a phenylpropanoid and hydroxylated biphenyl core was prepared using naturally occurring compounds and their activity was measured by spectrophotometric and electrochemical assays. Biosensors based on tyrosinase and laccase enzymes were constructed and used to detect the type of protein-ligand interaction and half maximal inhibitory concentration (IC). Most of the inhibitors showed an IC in a range of 20-423 nM for tyrosinase and 23-2619 nM for laccase. Due to the safety concerns of conventional tyrosinase and laccase inhibitors, the viability of the new compounds was assayed on PC12 cells, four of which showed a viability of roughly 80% at 40 µM. In silico studies on the crystal structure of laccase enzyme identified a hydroxylated biphenyl bearing a prenylated chain as the lead structure, which activated strong and effective interactions at the active site of the enzyme. These data were confirmed by in vivo experiments performed on the insect model .
Topics: Animals; Catalytic Domain; Cell Survival; Crystallography, X-Ray; Enzyme Inhibitors; Hydroxylation; Laccase; Models, Molecular; Monophenol Monooxygenase; PC12 Cells; Phenol; Propanols; Protein Conformation; Rats; Tenebrio
PubMed: 32545293
DOI: 10.3390/molecules25112709 -
Molecular Plant Jan 2015In recent years, biotechnology-derived production of flavors and fragrances has expanded rapidly. The world's most popular flavor, vanillin, is no exception. This review... (Review)
Review
In recent years, biotechnology-derived production of flavors and fragrances has expanded rapidly. The world's most popular flavor, vanillin, is no exception. This review outlines the current state of biotechnology-based vanillin synthesis with the use of ferulic acid, eugenol, and glucose as substrates and bacteria, fungi, and yeasts as microbial production hosts. The de novo biosynthetic pathway of vanillin in the vanilla orchid and the possible applied uses of this new knowledge in the biotechnology-derived and pod-based vanillin industries are also highlighted.
Topics: Benzaldehydes; Bioengineering; Biosynthetic Pathways; Propanols; Synthetic Biology; Vanilla
PubMed: 25578271
DOI: 10.1016/j.molp.2014.11.008 -
International Journal of Molecular... Aug 2023The catalytic epoxidation of small alkenes and allylic alcohols includes a wide range of valuable chemical applications, with many works describing vanadium complexes as... (Review)
Review
The catalytic epoxidation of small alkenes and allylic alcohols includes a wide range of valuable chemical applications, with many works describing vanadium complexes as suitable catalysts towards sustainable process chemistry. But, given the complexity of these mechanisms, it is not always easy to sort out efficient examples for streamlining sustainable processes and tuning product optimization. In this review, we provide an update on major works of tunable vanadium-catalyzed epoxidations, with a focus on sustainable optimization routes. After presenting the current mechanistic view on vanadium catalysts for small alkenes and allylic alcohols' epoxidation, we argue the key challenges in green process development by highlighting the value of updated kinetic and mechanistic studies, along with essential computational studies.
Topics: Alkenes; Vanadium; Epoxy Compounds; Stereoisomerism; Propanols; Catalysis; Alcohols
PubMed: 37569673
DOI: 10.3390/ijms241512299 -
Journal of Dairy Science May 2022The objective of this study was to investigate whether the CH mitigation potential of 3-nitrooxypropanol (3-NOP) in dairy cattle was affected by basal diet (BD)...
The objective of this study was to investigate whether the CH mitigation potential of 3-nitrooxypropanol (3-NOP) in dairy cattle was affected by basal diet (BD) composition. The experiment involved 64 Holstein-Friesian dairy cows (146 ± 45 d in milk at the start of trial; mean ± SD) in 2 overlapping crossover trials, each consisting of 2 measurement periods. Cows were blocked according to parity, d in milk, and milk yield, and randomly allocated to 1 of 3 diets: a grass silage-based diet (GS) consisting of 30% concentrates and 70% grass silage (DM basis), a grass silage- and corn silage-mixed diet (GSCS) consisting of 30% concentrates, 42% grass silage, and 28% corn silage (DM basis), or a corn silage-based diet (CS) consisting of 30% concentrates, 14% grass silage, and 56% corn silage (DM basis). Two types of concentrates were formulated, viz. a concentrate for the GS diet and a concentrate for the CS diet, to meet the energy and protein requirements for maintenance and milk production. The concentrate for the GSCS diet consisted of a 50:50 mixture of both concentrates. Subsequently, the cows within each type of BD received 2 treatments in a crossover design: either 60 mg of 3-NOP/kg of DM (NOP60) and a placebo with 0 mg of 3-NOP/kg of DM (NOP0) in one crossover or 80 mg of 3-NOP/kg of DM (NOP80) and NOP0 in the other crossover. Diets were provided as total mixed ration in feed bins, which automatically recorded feed intake. Additional concentrate was fed in the GreenFeed system that was used to measure emissions of CH and H. The CS diets resulted in a reduced CH yield (g/kg DMI) and CH intensity (g/kg milk). Feeding 3-NOP resulted in a decreased DMI. Milk production and composition did not differ between NOP60 and NOP0, whereas milk yield and the yield of major components decreased for NOP80 compared with NOP0. Feed efficiency was not affected by feeding 3-NOP. Interactions between BD and supplementation of 3-NOP were observed for the production (g/d) and yield (g/kg DMI) of both CH and H, indicating that the mitigating effect of 3-NOP depended on the composition of the BD. Emissions of CH decreased upon 3-NOP supplementation for all BD, but the decrease in CH emissions was smaller for GS (-26.2% for NOP60 and -28.4% for NOP80 in CH yield) compared with both GSCS (-35.1% for NOP60 and -37.9% for NOP80 for CH yield) and CS (-34.8% for NOP60 and -41.6% for NOP80 for CH yield), with no difference between the latter 2 BD. Emissions of H increased upon 3-NOP supplementation for all BD, but the H yield (g/kg DMI) increased 3.16 and 3.30-fold, respectively, when NOP60 and NOP80 were supplemented to GS, and 4.70 and 4.96 fold, respectively, when NOP60 and NOP80 were supplemented to CS. In conclusion, 3-NOP can effectively decrease CH emissions in dairy cows across diets, but the level of CH mitigation is greater when supplemented in a corn silage-based diet compared with a grass silage-based diet.
Topics: Animals; Cattle; Diet; Female; Lactation; Methane; Poaceae; Pregnancy; Propanols; Silage; Zea mays
PubMed: 35221072
DOI: 10.3168/jds.2021-20782 -
Regulatory Toxicology and Pharmacology... Nov 2019Read-across and grouping is one of the most commonly used alternative approaches for data gap filling in registrations submitted under the REACH Regulation as defined by... (Review)
Review
Read-across and grouping is one of the most commonly used alternative approaches for data gap filling in registrations submitted under the REACH Regulation as defined by the European Chemicals Agency (ECHA) in their 'Read-Across Assessment Framework' (RAAF, 2017). At the same time, the application of read-across is rejected by ECHA frequently due to various reasons. As a major reason hereof, applicants fail to reduce the level of 'remaining uncertainty' intrinsical to every read-across approach compared to testing a substance experimentally. Recently, the use of metabolomics to support read-across cases with biological information has been reported in a case study with phenoxy herbicides (Ravenzwaay et al., 2016). In the present case-study a 'weight-of-evidence' read-across approach from 2-aminoethanol (MEA = 'source') to 3-aminopropanol (3AP = 'target') with metabolomics as 'supporting evidence' reducing the remaining uncertainties is reported. We demonstrate the high structural similarity of the two analogous substances based on the available data and we report how metabolome data add confidence concerning mechanistic similarity in this read-across approach. Finally, the herein described read-across case supported by metabolomics is used to cover the data gaps in repeated dose and reproductive toxicity endpoint of 3AP via weight of evidence for the REACH-registration.
Topics: Animals; Ethanolamine; Female; Male; Metabolome; Metabolomics; Propanolamines; Rats, Wistar; Risk Assessment; Toxicity Tests
PubMed: 31421187
DOI: 10.1016/j.yrtph.2019.104442 -
International Journal of Environmental... Jan 2024Accurate determination of the concentration of alcohols and their metabolites is important in forensics and in several life science areas. A new headspace gas...
Accurate determination of the concentration of alcohols and their metabolites is important in forensics and in several life science areas. A new headspace gas chromatography-mass spectrometry method has been developed to quantify alcohols and their oxidative products using isotope-labeled internal standards. The limit of detection (LOD) of the analytes in the developed method was 0.211 µg/mL for methanol, 0.158 µg/mL for ethanol, 0.157 µg/mL for isopropanol, 0.010 µg/mL for n-propanol, 0.157 µg/mL for acetone, and 0.209 µg/mL for acetaldehyde. The precision and accuracy of the method were evaluated, and the relative standard deviation percentages were found to be less than 3%. This work demonstrates the application of this method, specifically in quantifying the concentration of oxidative products of alcohol and other minor alcohols found in hand sanitizers, which have become an essential household item since the COVID-19 pandemic. Apart from the major components, the minor alcohols found in hand sanitizers include methanol, isopropanol, and n-propanol. The concentration range of these minor alcohols found in ethanol-based hand sanitizer samples was as follows: methanol, 0.000921-0.0151 mg/mL; isopropanol, 0.454-13.8 mg/mL; and n-propanol, 0.00474-0.152 mg/mL. In ethanol-based hand sanitizers, a significant amount of acetaldehyde (0.00623-0.231 mg/mL) was observed as an oxidation product, while in the isopropanol-based hand sanitizer, acetone (0.697 mg/mL) was observed as an oxidation product. The concentration of acetaldehyde in ethanol-based hand sanitizers significantly increased with storage time and temperature, whereas no such increase in acetone concentration was observed in isopropanol-based hand sanitizers with storage time and temperature. In two of the selected hand sanitizers, the acetaldehyde levels increased by almost 200% within a week when stored at room temperature. Additionally, exposing the hand sanitizers to a temperature of 45 °C for 24 h resulted in a 100% increase in acetaldehyde concentration. On the contrary, the acetone level remained constant upon the change in storage time and temperature.
Topics: Humans; Methanol; Acetaldehyde; Hand Sanitizers; Acetone; 2-Propanol; 1-Propanol; Temperature; Gas Chromatography-Mass Spectrometry; Pandemics; Ethanol
PubMed: 38248538
DOI: 10.3390/ijerph21010074 -
International Journal of Molecular... Jun 2020, a rare tertiary relict species with economic and ecological value, is a representative of the monotypic genus that is endemic to China. can adapt well to habitat...
, a rare tertiary relict species with economic and ecological value, is a representative of the monotypic genus that is endemic to China. can adapt well to habitat isolation and ecological heterogeneity under a variety of climate and soil conditions, and is able to survive in harsh environments. However, little is known about the molecular and genetic resources of this long-lived conifer. Herein, we sequenced the transcriptomes of four organs of using the PacBio Isoform Sequencing and Illumina RNA Sequencing platforms. Based on the PacBio Iso-Seq data, we obtained 44,896, 58,082, 50,485, and 67,638 full-length unigenes from the root, stem, leaf, and strobilus, respectively, with a mean length of 2692 bp, and a mean N50 length of 3010.75 bp. We then comprehensively annotated these unigenes. The number of organ-specific expressed unigenes ranged from 4393 in leaf to 9124 in strobilus, suggesting their special roles in physiological processes, organ development, and adaptability in the different four organs. A total of 16,562 differentially expressed genes (DEGs) were identified among the four organs and clustered into six subclusters. The gene families related to biotic/abiotic factors, including the TPS, CYP450, and HSP families, were characterized. The expression levels of most DEGs in the phenylpropanoid biosynthesis pathway and plant-pathogen interactions were higher in the root than in the three other organs, suggesting that root constitutes the main organ of defensive compound synthesis and accumulation and has a stronger ability to respond to stress. The sequences were analyzed to predict transcription factors, long non-coding RNAs, and alternative splicing events. The expression levels of most DEGs of C2H2, C3H, bHLH, and bZIP families in the root and stem were higher than those in the leaf and strobilus, indicating that these TFs may play a crucial role in the survival of the root and stem. These results comprise the first comprehensive gene expression profiles obtained for different organs of . Our findings will facilitate further studies on the functional genomics, adaptive evolution, and phylogeny of , and lay the foundation for the development of conservation strategies for this endangered conifer.
Topics: Biosynthetic Pathways; Computational Biology; Gene Expression Profiling; Gene Expression Regulation, Plant; Genes, Plant; High-Throughput Nucleotide Sequencing; Host-Pathogen Interactions; Molecular Sequence Annotation; Multigene Family; Organ Specificity; Phylogeny; Propanols; Taxaceae; Transcriptome
PubMed: 32560294
DOI: 10.3390/ijms21124305 -
Inhalation Toxicology 2020The inhalation of air-borne toxicants is associated with adverse health outcomes which can be somewhat mitigated by enhancing endogenous anti-oxidant capacity. Carnosine...
OBJECTIVE
The inhalation of air-borne toxicants is associated with adverse health outcomes which can be somewhat mitigated by enhancing endogenous anti-oxidant capacity. Carnosine is a naturally occurring dipeptide (β-alanine-L-histidine), present in high abundance in skeletal and cardiac muscle. This multi-functional dipeptide has anti-oxidant properties, can buffer intracellular pH, chelate metals, and sequester aldehydes such as acrolein. Due to these chemical properties, carnosine may be protective against inhaled pollutants which can contain metals and aldehydes and can stimulate the generation of electrophiles in exposed tissues. Thus, assessment of carnosine levels, or levels of its acrolein conjugates (carnosine-propanal and carnosine-propanol) may inform on level of exposure and risk assessment.
METHODS
We used established mass spectroscopy methods to measure levels of urinary carnosine ( = 605) and its conjugates with acrolein ( = 561) in a subset of participants in the Louisville Healthy Heart Study (mean age = 51 ± 10; 52% male). We then determined associations between these measures and air pollution exposure and smoking behavior using statistical modeling approaches.
RESULTS
We found that higher levels of non-conjugated carnosine, carnosine-propanal, and carnosine-propanol were significantly associated with males ( < 0.02) and those of Caucasian ethnicity ( < 0.02). Levels of carnosine-propanol were significantly higher in never-smokers ( = 0.001) but lower in current smokers ( = 0.037). This conjugate also demonstrated a negative association with mean-daily particulate air pollution (PM) levels ( = 0.01).
CONCLUSIONS
These findings suggest that urinary levels of carnosine-propanol may inform as to risk from inhaled pollutants.
Topics: 1-Propanol; Adult; Air Pollutants; Aldehydes; Biological Monitoring; Carnosine; Female; Humans; Inhalation Exposure; Male; Middle Aged; Smoking
PubMed: 33179563
DOI: 10.1080/08958378.2020.1845257