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Molecules (Basel, Switzerland) Aug 2023The human body releases numerous volatile organic compounds (VOCs) through tissues and various body fluids, including breath. These compounds form a specific chemical...
The human body releases numerous volatile organic compounds (VOCs) through tissues and various body fluids, including breath. These compounds form a specific chemical profile that may be used to detect the colorectal cancer CRC-related changes in human metabolism and thereby diagnose this type of cancer. The main goal of this study was to investigate the volatile signatures formed by VOCs released from the CRC tissue. For this purpose, headspace solid-phase microextraction gas chromatography-mass spectrometry was applied. In total, 163 compounds were detected. Both cancerous and non-cancerous tissues emitted 138 common VOCs. Ten volatiles (2-butanone; dodecane; benzaldehyde; pyridine; octane; 2-pentanone; toluene; p-xylene; n-pentane; 2-methyl-2-propanol) occurred in at least 90% of both types of samples; 1-propanol in cancer tissue (86% in normal one), acetone in normal tissue (82% in cancer one). Four compounds (1-propanol, pyridine, isoprene, methyl thiolacetate) were found to have increased emissions from cancer tissue, whereas eleven showed reduced release from this type of tissue (2-butanone; 2-pentanone; 2-methyl-2-propanol; ethyl acetate; 3-methyl-1-butanol; d-limonene; tetradecane; dodecanal; tridecane; 2-ethyl-1-hexanol; cyclohexanone). The outcomes of this study provide evidence that the VOCs signature of the CRC tissue is altered by the CRC. The volatile constituents of this distinct signature can be emitted through exhalation and serve as potential biomarkers for identifying the presence of CRC. Reliable identification of the VOCs associated with CRC is essential to guide and tune the development of advanced sensor technologies that can effectively and sensitively detect and quantify these markers.
Topics: Humans; 1-Propanol; 2-Propanol; Colorectal Neoplasms
PubMed: 37630241
DOI: 10.3390/molecules28165990 -
Annals of the Academy of Medicine,... Sep 2020Coronavirus disease 2019 (COVID-19) pandemic continues to spread globally at a staggering speed. At present, there is no effective treatment or vaccine for COVID-19....
Coronavirus disease 2019 (COVID-19) pandemic continues to spread globally at a staggering speed. At present, there is no effective treatment or vaccine for COVID-19. Hand disinfection is a cost-effective way to prevent its transmission. According to the Centres for Disease Control and Prevention (CDC) guidelines, we should wash our hands with soap and water for at least 20 seconds. If soap and water are not readily available, alcohol-based hand rubs (ABHRs) with at least 60% alcohol are the alternative. With diligent hand disinfection reinforced during COVID-19, there is an increased prevalence of contact dermatitis. This commentary highlights the fact that contact dermatitis is a readily treatable condition and should not cause any deviation of proper hand hygiene. In irritant contact dermatitis (ICD), the management strategies are selection of less irritating hand hygiene products, frequent use of moisturisers to rebuild the skin barrier, and education on proper hand hygiene practices. In allergic contact dermatitis (ACD), the identification and avoidance of the contact allergen is the key to treatment. However, ACD is less common and only accounts for 20% of the cases. The identified allergens in hand cleansers are predominantly preservative excipients and ACD attributable to ABHR are very uncommon. Alcohol-free hand rubs are widely available on the market but it is not a recommended alternative to ABHRs by the CDC.
Topics: 1-Propanol; 2-Propanol; Anti-Infective Agents, Local; COVID-19; Dermatitis, Allergic Contact; Dermatitis, Irritant; Dermatitis, Occupational; Detergents; Emollients; Ethanol; Hand Dermatoses; Hand Disinfection; Hand Hygiene; Hand Sanitizers; Health Personnel; Humans; Hygroscopic Agents
PubMed: 33241256
DOI: No ID Found -
Bioscience, Biotechnology, and... 2011We purified two isozymes of coniferyl alcohol dehydrogenase (CADH I and II) to homogeneity from cell-free extracts of Streptomyces sp. NL15-2K. The apparent molecular...
We purified two isozymes of coniferyl alcohol dehydrogenase (CADH I and II) to homogeneity from cell-free extracts of Streptomyces sp. NL15-2K. The apparent molecular masses of CADH I and II were determined to be 143 kDa and 151 kDa respectively by gel filtration, whereas their subunit molecular masses were determined to be 35,782.2 Da and 37,597.7 Da respectively by matrix-assisted laser-desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS). Thus, it is probable that both isozymes are tetramers. The optimum pH and temperature for coniferyl alcohol dehydrogenase activity were pH 9.5 and 45 °C for CADH I and pH 8.5 and 40 °C for CADH II. CADH I oxidized various aromatic alcohols and allyl alcohol, and was most efficient on cinnamyl alcohol, whereas CADH II exhibited high substrate specificity for coniferyl alcohol, and showed no activity as to the other alcohols, except for cinnamyl alcohol and 3-(4-hydroxy-3-methoxyphenyl)-1-propanol. In the presence of NADH, CADH I and II reduced cinnamaldehyde and coniferyl aldehyde respectively to the corresponding alcohols.
Topics: Acrolein; Alcohol Oxidoreductases; Aldehydes; Bacterial Proteins; Cell Extracts; Chromatography, Agarose; Hydrogen-Ion Concentration; Isoenzymes; Kinetics; Molecular Weight; NAD; Phenols; Propanols; Protein Subunits; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization; Streptomyces; Substrate Specificity; Temperature
PubMed: 21897026
DOI: 10.1271/bbb.110301 -
Journal of the American Society For... Jan 2019Ion mobility spectrometry and circular dichroism spectroscopy are used to examine the populations of the small model peptide, polyproline-13 in water, methanol, ethanol,...
Solvent Mediation of Peptide Conformations: Polyproline Structures in Water, Methanol, Ethanol, and 1-Propanol as Determined by Ion Mobility Spectrometry-Mass Spectrometry.
Ion mobility spectrometry and circular dichroism spectroscopy are used to examine the populations of the small model peptide, polyproline-13 in water, methanol, ethanol, and 1-propanol over a range of solution temperatures (from 288 to 318 K). At low temperatures, the less-polar solvents (1-propanol and ethanol) favor the all-cis polyproline I helix (PPI); as the temperature is increased, the trans-configured polyproline II helix (PPII) is formed. In polar solvents (methanol and water), PPII is favored at all temperatures. From the experimental data, we determine the relative stabilities of the eight structures in methanol, ethanol, and 1-propanol, as well as four in water, all with respect to PPII. Although these conformers show relatively small differences in free energies, substantial variability is observed in the enthalpies and entropies across the structures and solvents. This requires that enthalpies and entropies be highly correlated: in 1-propanol, cis-configured PPI conformations are energetically favorable but entropically disfavored. In more polar solvents, PPI is enthalpically less favorable and entropy favors trans-configured forms. While either ΔH or ΔS can favor different structures, no conformation in any solvent is simultaneously energetically and entropically stabilized. These data present a rare opportunity to examine the origin of conformational stability. Graphical Abstract ᅟ.
Topics: 1-Propanol; Circular Dichroism; Entropy; Ethanol; Ion Mobility Spectrometry; Methanol; Peptides; Protein Conformation; Solvents; Temperature; Thermodynamics; Water
PubMed: 30069641
DOI: 10.1007/s13361-018-2034-7 -
Journal of the American Chemical Society Sep 2018The first catalytic strategy to harness imidate radicals has been developed. This approach enables alkene difunctionalization of allyl alcohols by photocatalytic...
The first catalytic strategy to harness imidate radicals has been developed. This approach enables alkene difunctionalization of allyl alcohols by photocatalytic reduction of their oxime imidates. The ensuing imidate radicals undergo consecutive intra- and intermolecular reactions to afford (i) hydroamination, (ii) aminoalkylation, or (iii) aminoarylation, via three distinct radical mechanisms. The broad scope and utility of this catalytic method for imidate radical reactivity is presented, along with comparisons to other N-centered radicals and complementary, closed-shell imidate pathways.
Topics: Alkenes; Catalysis; Free Radicals; Imidoesters; Molecular Structure; Propanols
PubMed: 30156404
DOI: 10.1021/jacs.8b07578 -
Journal of Biomedical Materials... Apr 2020The aim when designing a scaffold is to provide a supportive microenvironment for the native cells, which is generally achieved by structurally and biochemically...
The aim when designing a scaffold is to provide a supportive microenvironment for the native cells, which is generally achieved by structurally and biochemically imitating the native tissue. Decellularized extracellular matrix (ECM) possesses the mechanical and biochemical cues designed to promote native cell survival. However, when decellularized and reprocessed, the ECM loses its cell supporting mechanical integrity and architecture. Herein, we propose dissolving the ECM into a polymer/solvent solution and electrospinning it into a fibrous sheet, thus harnessing the biochemical cues from the ECM and the mechanical integrity of the polymer. Bovine aorta and myocardium were selected as ECM sources. Decellularization was achieved using sodium dodecyl sulfate (SDS), and the ECM was combined with polycaprolactone and hexafluoro-2-propanol for electrospinning. The scaffolds were seeded with human umbilical vein endothelial cells (HUVECs). The study found that the inclusion of aorta ECM increased the scaffold's wettability and subsequently lead to increased HUVEC adherence and proliferation. Interestingly, the inclusion of myocardium ECM had no effect on wettability or cell viability. Furthermore, gene expression and mechanical changes were noted with the addition of ECM. The results from this study show the vast potential of electrospun ECM/polymer bioscaffolds and their use in tissue engineering.
Topics: Animals; Aorta; Cattle; Cell Proliferation; Cell Survival; Extracellular Matrix; Human Umbilical Vein Endothelial Cells; Humans; Infant, Newborn; Male; Microscopy, Electron, Scanning; Myocardium; Polymers; Pressure; Propanols; Solvents; Spectroscopy, Fourier Transform Infrared; Tissue Engineering; Tissue Scaffolds; Wettability
PubMed: 31369699
DOI: 10.1002/jbm.b.34444 -
The Journal of Infectious Diseases Dec 2011Hepatitis C virus (HCV) cross-contamination from inanimate surfaces or objects has been implicated in transmission of HCV in health-care settings and among injection...
BACKGROUND
Hepatitis C virus (HCV) cross-contamination from inanimate surfaces or objects has been implicated in transmission of HCV in health-care settings and among injection drug users. We established HCV-based carrier and drug transmission assays that simulate practical conditions to study inactivation and survival of HCV on inanimate surfaces.
METHODS
Studies were performed with authentic cell culture derived viruses. HCV was dried on steel discs and biocides were tested for their virucidal efficacy against HCV. Infectivity was determined by a limiting dilution assay. HCV stability was analyzed in a carrier assay for several days or in a drug transmission assay using a spoon as cooker.
RESULTS
HCV can be dried and recovered efficiently in the carrier assay. The most effective alcohol to inactivate the virus was 1-propanol, and commercially available disinfectants reduced infectivity of HCV to undetectable levels. Viral infectivity on inanimate surfaces was detectable in the presence of serum for up to 5 days, and temperatures of about 65-70°C were required to eliminate infectivity in the drug transmission assay.
CONCLUSIONS
These findings are important for assessment of HCV transmission risks and should facilitate the definition of stringent public health interventions to prevent HCV infections.
Topics: 1-Propanol; 2-Propanol; Disinfectants; Equipment Contamination; Ethanol; Glutaral; Hepacivirus; Hepatitis C; Humans; Microbial Viability; Peroxides; Quaternary Ammonium Compounds; Substance Abuse, Intravenous; Temperature; Time Factors; Virus Inactivation
PubMed: 22013220
DOI: 10.1093/infdis/jir535 -
Journal of Dairy Science Oct 2016Ensiling conditions strongly influence fermentation characteristics, yeast count, and aerobic stability. Numerous volatile organic compounds including esters are...
Ensiling conditions strongly influence fermentation characteristics, yeast count, and aerobic stability. Numerous volatile organic compounds including esters are produced, which may negatively affect feed intake and animal performance and air quality. In addition to a farm survey, 3 laboratory experiments were carried out to study the effects of air (by delayed sealing or by air infiltration during anaerobic storage), temperature (20 and 35°C), and various types of additives [blends of either sodium benzoate and sodium propionate (SBSP) or of sodium benzoate and potassium sorbate (SBPS); buffered mixture of formic and propionic acids (FAPA); homofermentative inoculant (LAB)]. After additive treatment, chopped whole corn plants were packed into 1.5-L glass jars and stored for several months. For treatments with air infiltration, glass jars with holes in the lid and body were used. The farm survey in 2009 revealed large variation in lactate, acetate, ethanol, n-propanol, and 1,2-propanediol concentrations. Whereas ethyl esters were detected in all silages, the mean ethyl lactate concentrations were higher than those for ethyl acetate (474 vs. 38mg/kg of dry matter). In the ensiling experiments, few unequivocal effects of the tested factors on the analyzed parameters were observed due to many interactions. Delayed ensiling without additives decreased lactic acid production but, in one trial, increased acetic acid and had no effect on ethanol. The effect of delayed sealing on yeast counts and aerobic stability differed widely among experiments. Air infiltration during fermentation tested in one trial did not alter lactic acid production, but resulted in more acetic acid in delayed and more ethanol than in promptly sealed untreated silages. Greater ethanol production was associated with increased yeast numbers. Storage at high temperature resulted in lower lactic acid and n-propanol, and a trend toward reduced ethanol production was observed. The additive FAPA consistently caused increased ethanol and reduced n-propanol levels with no effect on yeast counts and aerobic stability. When the additives SBSP and SBPS decreased n-propanol and ethanol, reduced yeast counts were also found. Ethyl ester formation was strongly correlated with those of ethanol and to a lesser degree with those of the respective acid.
Topics: 1-Propanol; Acetates; Animal Feed; Animals; Cattle; Diet; Ethanol; Fermentation; Hydrogen-Ion Concentration; Lactic Acid; Linear Models; Propionates; Propylene Glycol; Silage; Sodium Benzoate; Sorbic Acid; Temperature; Volatile Organic Compounds; Yeasts; Zea mays
PubMed: 27497899
DOI: 10.3168/jds.2015-10323 -
Angewandte Chemie (International Ed. in... Sep 2021A method is described for the isomerization of acyclic allylic alcohols into β-functionalized ketones via 1,3-alkyl transposition. This reaction proceeds via...
A method is described for the isomerization of acyclic allylic alcohols into β-functionalized ketones via 1,3-alkyl transposition. This reaction proceeds via light-driven proton-coupled electron transfer (PCET) activation of the O-H bond in the allylic alcohol substrate, followed by C-C β-scission of the resulting alkoxy radical. The transient alkyl radical and enone acceptor generated in the scission event subsequently recombine via radical conjugate addition to deliver β-functionalized ketone products. A variety of allylic alcohol substrates bearing alkyl and acyl migratory groups were successfully accommodated. Insights from mechanistic studies led to a modified reaction protocol that improves reaction performance for challenging substrates.
Topics: Electron Transport; Molecular Structure; Propanols; Protons
PubMed: 34159700
DOI: 10.1002/anie.202105285 -
The Journal of Physical Chemistry. B Aug 2016We consider the hydration structure and thermodynamic energetics of solutes in aqueous solution. On the basis of the dominant local correlation between the solvent and...
We consider the hydration structure and thermodynamic energetics of solutes in aqueous solution. On the basis of the dominant local correlation between the solvent and the chemical nature of the solute atoms, proximal distribution functions (pDF) can be used to quantitatively estimate the hydration pattern of the macromolecules. We extended this technique to study the solute-solvent energetics including the van der Waals terms representing excluded volume and tested the method with butane and propanol. Our results indicate that the pDF-reconstruction algorithm can reproduce van der Waals solute-solvent interaction energies to useful kilocalorie per mole accuracy. We subsequently computed polyalanine-water interaction energies for a variety of conformers, which also showed agreement with the simulated values.
Topics: 1-Propanol; Algorithms; Butanes; Models, Chemical; Peptides; Solutions; Solvents; Thermodynamics; Water
PubMed: 27095487
DOI: 10.1021/acs.jpcb.6b01898