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1.
Food Chem X ; 23: 101777, 2024 Oct 30.
Artículo en Inglés | MEDLINE | ID: mdl-39295964

RESUMEN

Aging is an important process for improving wine and brandy quality. In this study, the chemical characterization and sensory properties of spine grape brandies were compared after aging with various species of wood chips, including French oak (FO), American oak (AO), Mongolian oak (MO), Japanese blue oak (JO), chestnut, catalpa, and cherry. The results showed that high color intensity and significant concentrations of tannins and polyphenols were observed in the brandies aged with FO, AO, and chestnut chips. The volatile compounds, such as ethyl decanoate, ethyl 2-methylbutanoate, ethyl octanoate, methyl salicylate, (Z)-2-hexenol, and furfural, contributed to the floral, fruity, and roasted/smoky attributes of the brandies aged with FO, AO, and chestnut chips. The 1-butanol, 1-propanol, phenylethanol, phenylethyl acetate, isoamyl acetate, and linalool contributed to the fruity, honey, and floral attributes of the brandies aged with JO and cherry chips. These findings are extremely useful for the production of differentiated and high-quality spine grape brandies.

2.
Amino Acids ; 56(1): 55, 2024 Aug 31.
Artículo en Inglés | MEDLINE | ID: mdl-39215872

RESUMEN

Carnosine is an endogenous dipeptide that buffers intracellular pH and quenches toxic products of lipid peroxidation. Used as a dietary supplement, it also supports exercise endurance. However, the accumulation and distribution of carnosine after supplementation has not been rigorously evaluated. To do this, we randomized a cohort to receive daily supplements of either placebo or carnosine (2 g/day). Blood and urine samples were collected twice over the subsequent 12 week supplementation period and we measured levels of red blood cell (RBC) carnosine, urinary carnosine, and urinary carnosine-propanol and carnosine-propanal conjugates by LC/MS-MS. We found that, when compared with placebo, supplementation with carnosine for 6 or 12 weeks led to an approximate twofold increase in RBC carnosine, while levels of urinary carnosine increased nearly sevenfold. Although there were no changes in the urinary levels of carnosine propanol, carnosine propanal increased nearly twofold. RBC carnosine levels were positively associated with urinary carnosine and carnosine propanal levels. No adverse reactions were reported by those in the carnosine or placebo arms, nor did carnosine supplementation have any effect on kidney, liver, and cardiac function or blood electrolytes. In conclusion, irrespective of age, sex, or BMI, oral carnosine supplementation in humans leads to its increase in RBC and urine, as well as an increase in urinary carnosine-propanal. RBC carnosine may be a readily accessible pool to estimate carnosine levels. Clinical trial registration: This study is registered with ClinicalTrials.gov (Nucleophilic Defense Against PM Toxicity (NEAT Trial)-Full Text View-ClinicalTrials.gov), under the registration: NCT03314987.


Asunto(s)
Carnosina , Suplementos Dietéticos , Humanos , Carnosina/metabolismo , Masculino , Femenino , Adulto , Persona de Mediana Edad , Eritrocitos/metabolismo , Eritrocitos/efectos de los fármacos , Método Doble Ciego
3.
Food Chem X ; 23: 101601, 2024 Oct 30.
Artículo en Inglés | MEDLINE | ID: mdl-39040150

RESUMEN

In this study, E-nose, HS-GC-IMS, and HS-SPME-GC-MS technologies were used to evaluate the flavor characteristics of the pileus and stipe of Boletus edulis from eight origins. 23 key Volatile organic compounds (VOCs) with odor activity values (OAVs) > 1 were identified, and 19 aroma types have been identified in Boletus edulis at the same time. Vegetable and earthy were defined as the dominant aroma types for all pileus and stipe samples. Balsamic and musty were the main and characteristic aroma types for the pileus. The highest concentrations of VOCs in the pileus and stipe were originated from Chuxiong Prefecture and Aba Prefecture, respectively. 19 and 16 key VOCs were detected Chuxiong pileus and Aba stipe, respectively, and Methional was the decisive compound that influenced the vegetable aroma type. The results of this study could be helpful for flavor identification and application of pileus and stipe from Boletus edulis.

4.
J Chromatogr A ; 1730: 465098, 2024 Aug 16.
Artículo en Inglés | MEDLINE | ID: mdl-38901295

RESUMEN

The epoxy propanol molecular cage bonded silica stationary phase, RCC3-GLD@silica, synthesized through the ring-opening reaction of secondary amine with epoxy propanol using RCC3-R as the scaffold unit, was successfully prepared as confirmed by infrared spectroscopy, thermogravimetric analysis, and nitrogen adsorption-desorption characterization. This stationary phase demonstrated excellent separation performance in both reversed-phase and hydrophilic chromatography modes, effectively separating a wide variety of compounds including alkylbenzenes, polycyclic aromatic hydrocarbons, phenols, anilines, sulfonamides, nucleosides, amino acids, sugars, and acids. The development of RCC3-GLD@silica benefits from the synergistic effects of its hydrophobic and hydrophilic actions, as evidenced by the U-shaped characteristic of the retention factor for nucleoside compounds with changes in the aqueous content of the mobile phase, further confirming the simultaneous presence of reversed-phase and hydrophilic chromatography mechanisms. Not only did this stationary phase successfully separate 33 compounds in reversed-phase chromatography mode, but it also separated 54 compounds in hydrophilic interaction chromatography mode, showcasing its broad separation capability from weakly polar to strongly polar compounds on a single chromatographic column. This indicates a wide application prospect in the field of chromatographic analysis.


Asunto(s)
Cromatografía de Fase Inversa , Interacciones Hidrofóbicas e Hidrofílicas , Nucleósidos , Dióxido de Silicio , Dióxido de Silicio/química , Cromatografía de Fase Inversa/métodos , Nucleósidos/aislamiento & purificación , Nucleósidos/química , Compuestos Epoxi/química , Aminoácidos/aislamiento & purificación , Aminoácidos/química , Hidrocarburos Policíclicos Aromáticos/aislamiento & purificación , Hidrocarburos Policíclicos Aromáticos/química , Fenoles/aislamiento & purificación , Fenoles/química , Cromatografía Líquida de Alta Presión/métodos
5.
Front Dent ; 21: 13, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38919768

RESUMEN

Objectives: This study assessed the effect of chlorhexidine (CHX) and isopropyl alcohol (IA) on immediate and late pushout bond strength (PBS) of fiber posts to dentin. Materials and Methods: In this in vitro study, 54 single-canal premolars were endodontically treated, and randomly assigned to 3 groups (N=18) for root dentin conditioning with distilled water (control), 2% CHX, and 70% IA after post space preparation. Fiber posts were cemented with TheraCem self-adhesive cement, and each group was subdivided into two subgroups (N=9) for PBS measurement immediately after bonding, and after 5000 thermal cycles (5-55°C). The roots were then sectioned, and their PBS was measured. The mode of failure was evaluated under a stereomicroscope at ×40 magnification. Data were analyzed by repeated measures ANOVA and Tukey's test (alpha=0.05). Results: The highest PBS was noted in the IA group (21.12 MPa) after 24 hours and the lowest PBS belonged to the control group after thermocycling (7.48 MPa). The immediate and post-thermocycling PBS were significantly lower in the control group than the CHX group (P<0.05). The PBS in both the control and CHX groups was lower than that in the IA group (P<0.001). Regardless of the type of detergent, a significant reduction in PBS was observed after thermocycling (P<0.003). The PBS significantly decreased from the cervical towards the apical region in all groups (P<0.001). Conclusion: According to the results, application of IA before the self-adhesive cement effectively improved the immediate and late PBS, and was significantly more effective than CHX.

6.
Chemphyschem ; 25(16): e202400359, 2024 Aug 19.
Artículo en Inglés | MEDLINE | ID: mdl-38721776

RESUMEN

The interaction between organic molecules and oxidized catalyst surfaces has frequently been used to study the fuel crossover from the anode to the cathode in direct liquid fuel cells. In such experiments, the oxidized surface is put in contact with the fuel under open circuit conditions, and the evolution of the potential is registered. The open circuit potential (OCP) vs. time features can then inform on the reactivity of the fuel with the oxidized surface and provide valuable information not only to applications in fuel cells but also to the electrochemical reform of those molecules to produce clean hydrogen. In this paper, we present an experimental investigation of the open circuit interaction between ethanol or 2-propanol with oxidized platinum surfaces. Besides the OCP time traces, we have also employed cyclic voltammetry and fast oxide reduction sweep in the presence of the alcohols. Comparable reaction currents are obtained in the cyclic voltammogram, but the electro-oxidation of 2-propanol sets in at considerably lower overpotentials than that of ethanol. At the high potential region, both the magnitude and the potential of the current peak are nearly identical in both cases. In contrast, under open circuit conditions, the interaction of ethanol with the oxidized platinum surface is more pronounced than that found for 2-propanol, and these results are corroborated by the facile reduction of the platinum oxides along the fast backward sweep for the case of the latter.

7.
Angew Chem Int Ed Engl ; 63(30): e202405733, 2024 Jul 22.
Artículo en Inglés | MEDLINE | ID: mdl-38719782

RESUMEN

n-propanol is an important pharmaceutical and pesticide intermediate. To produce n-propanol by electrochemical reduction of CO2 is a promising way, but is largely restricted by the very low selectivity and activity. How to promote the coupling of *C1 and *C2 intermediates to form the *C3 intermediate for n-propanol formation is challenging. Here, we propose the construction of bicontinuous structure of Cu2O/Cu electrocatalyst, which consists of ultra-small Cu2O nanodomains, Cu nanodomains and large amounts of grain boundaries between Cu2O and Cu nanodomains. The n-propanol current density is as high as 101.6 mA cm-2 at the applied potential of -1.1 V vs. reversible hydrogen electrode in flow cell, with the Faradaic efficiency up to 12.1 %. Moreover, the catalyst keeps relatively stable during electrochemical CO2 reduction process. Experimental studies and theoretical calculations reveal that the bicontinuous structure of Cu2O/Cu can facilitate the *CO formation, *CO-*CO coupling and *CO-*OCCO coupling for the final generation of n-propanol.

8.
Sci Rep ; 14(1): 12067, 2024 May 27.
Artículo en Inglés | MEDLINE | ID: mdl-38802403

RESUMEN

Phononic crystals (PnCs) emerge as an innovative sensor technology, especially for high-performance sensing applications. This study strives to advance this field by developing new designs of PnC structures that exhibit stability in the face of construction imperfections and deformations, focusing on the evolution of topological PnCs (TPnCs). These designs could be promising to overcome the problem of instability involved in most of the theoretical PnC sensors when they emerge in experimental verification. In particular, the fabrication process of any design could collide with some fluctuations in controlling the size of each component. Thus, Fano resonance is introduced through a one-dimensional (1D) quasiperiodic TPnC. To the best of the author's knowledge, this study is the first to observe Fano modes in liquid cavities through 1D PnCs. Various quasiperiodic PnC designs are employed to detect the temperature of alcohols (specifically propanol) across an extensive temperature range (160-240 °C). The effects of many geometrical parameters on the sensor stability, such as material thicknesses, are studied. Numerical findings demonstrated that the designed quasiperiodic topological PnCs based on Fibonacci sequence of the second order proved superior performance. This sensing tool provides sensitivity, quality factor and figure-of-merit values of 104,533.33 Hz/°C, 223.69 and 0.5221 (/°C), respectively, through temperature detection of propanol in the range of 160-240 °C.

9.
Bioresour Technol ; 402: 130805, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38718905

RESUMEN

Catalytic transfer hydrogenation (CTH), that employs protic solvents as hydrogen sources to alleviate the use of molecular hydrogen H2, has gained great attention. This work, reports multifunctional, metallic Cu nanoparticles supported ZIF-8 material for CTH of furfural to a highly valued fuel additive, 2-methylfuran (2-MF) using 2-propanol. Of all as-synthesized xCu(yM)/ZIF-8 catalysts with varied NaBH4 concentration (yM) and Cu loading (x), 11Cu(1.5 M)/ZIF-8 exhibited higher catalytic activity with > 99 % FAL conversion and 93.9 % 2-MF selectivity. This is ascribed to its high specific surface area, and existence of optimum amount of Lewis acid-base sites along with Cu0 species, which are responsible for hydrogenation of furfural to furfuryl alcohol and subsequent hydrogenolysis to produce 2-MF. The present work reports a highly efficient and stable, metal-MOF hybrid material for CTH of FAL to 2-MF, which is one among the best reports available in literature, therewith suggests a promising approach for bio-oil upgradation.


Asunto(s)
Cobre , Furaldehído , Furanos , Nanopartículas del Metal , Zeolitas , Furanos/química , Catálisis , Hidrogenación , Cobre/química , Furaldehído/química , Furaldehído/análogos & derivados , Zeolitas/química , Nanopartículas del Metal/química , Hidrógeno/química
10.
Foods ; 13(9)2024 Apr 23.
Artículo en Inglés | MEDLINE | ID: mdl-38731667

RESUMEN

3-Methylthio-1-propanol (3-Met) is an important flavor compound in various alcoholic beverages such as Baijiu and Huangjiu. To maintain the content of 3-Met in these alcoholic beverages, it is necessary to screen a micro-organism with high yield of 3-Met from the brewing environment. In this study, the ability of yeast strains from the Baijiu brewing to produce 3-Met was analyzed, aiming to obtain yeast with high-yield 3-Met, and its fermentation conditions were optimized. Firstly, 39 yeast strains were screened using 3-Met conversion medium. The results showed that the majority of the strains from Baijiu brewing sources could produce 3-Met, and nearly half of the strains produced more than 0.5 g/L of 3-Met. Among these, yeast F10404, Y03401, and Y8#01, produced more than 1.0 g/L of 3-Met, with yeast Y03401 producing the highest amount at 1.30 g/L. Through morphological observation, physiological and biochemical analysis, and molecular biological identification, it was confirmed that yeast Y03401 was a Saccharomyces cerevisiae. Subsequently, the optimal fermentation conditions for 3-Met production by this yeast were obtained through single-factor designs, Plackett-Burman test, steepest ascent path design and response surface methodology. When the glucose concentration was 60 g/L, yeast extract concentration was 0.8 g/L, L-methionine concentration was 3.8 g/L, initial pH was 4, incubation time was 63 h, inoculum size was 1.6%, shaking speed was 150 rpm, loading volume was 50 mL/250 mL, and temperature was 26 °C, the content of 3-Met produced by S. cerevisiae Y03401 reached a high level of 3.66 g/L. It was also noteworthy that, in contrast to other study findings, this yeast was able to create substantial amounts of 3-Met even in the absence of L-methionine precursor. Based on the clear genome of S. cerevisiae and its characteristics in 3-Met production, S. cerevisiae Y03401 had broad prospects for application in alcoholic beverages such as Baijiu.

11.
Microorganisms ; 12(3)2024 Feb 24.
Artículo en Inglés | MEDLINE | ID: mdl-38543513

RESUMEN

Ethanol can be produced by many microorganisms that colonize a dead body. Ethanol's concentration depends on the congener higher alcohols, 1-propanol, isobutanol, 2-methyl-1-butanol, 3-methyl-1-butanol, and 1-butanol, as previous research has shown. This correlation is expressed by mathematical models which estimate the concentration of microbial ethanol. The aim of this contribution was to study the ethanol and higher alcohols' production in various laboratory bacterial and fungal cultures and the applicability of the bacterial and fungal models (which concern the bacteria E. coli, S. aureus, K. pneumoniae, and E. faecalis, and the fungus C. albicans) in these samples, as well as in blood samples from autopsy cases, with the overall objective of investigating the models' applicability in routine casework. The bacteria and fungus were cultured in conventional culture media and in denatured human blood cultures under various conditions. The alcohols' concentrations were determined using a head space-gas chromatography-flame ionization detector (HS-GC-FID). The previously reported bacterial and yeast models were applied in the cultured samples and in blood from 122 autopsy cases. Our results showed that 1-propanol was not produced by C. albicans and E. faecalis under certain conditions. Also, 1-butanol was not produced by C. albicans, E. faecalis, and K. pneumonia under certain conditions. Furthermore, the bacterial models were applicable in postmortem samples irrespective of the microbes that were possibly activated in the sample, while the EC models showed the best applicability among all the bacterial and yeast models. The best applicability of the bacterial models was observed in autopsy blood with 0.10 g/L < BAC < 1.0 g/L in cases of violent and undetermined causes of death and in cases with putrefaction. Finally, the yeast models were applicable in limited, possibly special, autopsy cases. In conclusion, it could be inferred that the source of ethanol in any given postmortem blood sample is likely microbial if either most bacterial models or at least one model from each distinct bacterial species is successfully applicable.

12.
J Phys Condens Matter ; 36(26)2024 Apr 05.
Artículo en Inglés | MEDLINE | ID: mdl-38537276

RESUMEN

2-Propanol and n-hexane are widely used (as) chemical reagents in electronic, pharmaceutical, and chemical industries. An efficient separation of the azeotropic system of 2-propanol-n-hexane is of profound practical significance. By using the conductor-like screening model for real solve (COSMO-RS) predictive model, ionic liquids as extractants for separating the azeotropic system of 2-propanol-n-hexane were evaluated with selectivity coefficients (S) and capacity (C) as the evaluation indexes. Based on the evaluation results, one high-performance extractants named hydroxylamine Cl (C8A19) was selected from 435 kinds of ionic liquids designed by combining 29 kinds of anions and 15 kinds of cations. Moreover, the reliability of the model in predicting the vapor-liquid phase equilibrium behavior of 2-propanol-n-hexane system was verified. Then, the effect of C8A19 on the vapor-liquid phase equilibrium of the 2-propanol-n-hexane system was investigated theoretically and experimentally. The results show that the azeotrope of the system can be broken when the molar fraction of C8A19 is 0.02, denoting that C8A19 can be used for enhanced separation of 2-propanol-n-hexane system. On the basis of the aforementioned study, the selectivity mechanism of the extractant was analyzed from the perspective of microscopic molecular interactions by using the descriptor (σ-profiles) of COSMO-RS. This study provides both theoretical and data support for further designing high-performance ionic liquid extractants and extraction process.

13.
J Forensic Sci ; 69(3): 974-985, 2024 May.
Artículo en Inglés | MEDLINE | ID: mdl-38317608

RESUMEN

Ethanol is the psychoactive substance identified most frequently in post-mortem specimens. Unfortunately, interpreting post-mortem ethanol concentrations can be difficult because of post-mortem alcohol redistribution and the possibility of post-mortem alcohol neogenesis. Indeed, in the time interval between death and sample collection, the decedent may be exposed to non-controlled environments for an extended period, promoting microbial colonization. Many authors report that in the presence of carbohydrates and other biomolecules, various species of bacteria, yeast, and fungi can synthesize ethanol and other volatile substances in vitro and in vivo. The aim of this study was to study the impact of several variables on microbial ethanol production as well as develop a mathematical model that could estimate the microbial-produced ethanol in correlation with the most significant consensual produced higher alcohol, 1-propanol. An experimental setup was developed using human blood samples and cadaveric fragments incubated under strictly anaerobic conditions to produce a novel substrate, "cadaveric putrefactive blood" mimicking post-mortem corpse conditions. The samples were analyzed daily for ethanol and 1-propanol using an HS-GC-FID validated method. The formation of ethanol was evaluated considering different parameters such as putrefactive stage, blood glucose concentration, storage temperature, and storage time. Statistical analysis was performed using the Mann-Whitney non-parametric test and simple linear regression. The results indicate that the early putrefactive stage, high blood glucose concentration, high temperature, and time of incubation increase microbial ethanol production. In addition, the developed mathematical equation confirms the feasibility of using 1-propanol as a marker of post-mortem ethanol production.


Asunto(s)
1-Propanol , Etanol , Cambios Post Mortem , Prueba de Estudio Conceptual , Humanos , Etanol/análisis , Manejo de Especímenes , Cromatografía de Gases , Biomarcadores/análisis , Biomarcadores/metabolismo , Depresores del Sistema Nervioso Central/análisis , Toxicología Forense , Nivel de Alcohol en Sangre , Cadáver , Temperatura , Modelos Teóricos , Ionización de Llama
14.
Anal Biochem ; 688: 115461, 2024 May.
Artículo en Inglés | MEDLINE | ID: mdl-38244751

RESUMEN

To investigate the solvent effect on the detection of peptides and proteins, nanoelectrospray mass spectra were measured for mixtures of 1 % acetic acid and 5 × 10-6 M gramicidin S (G), ubiquitin (U), and cytochrome c (C) in water (W), methanol (MeOH), 1-propanol (1-PrOH), acetonitrile (AcN), and 2-propanol (2-PrOH). Although doubly protonated G (G2+) and multiply protonated U (Un+) and C (Cn+) were readily detected with a wide range of mixing ratios of W solutions for MeOH, 1-PrOH, and AcN, Cn+ was totally suppressed for the solutions with mixing ratios (v/v) of W/2-PrOH (50/50) and (70/30). However, denatured Cn+ started to be detected with W/2-PrOH (90/10) together with Gn+ (n = 1, 2) and native Un+ (n = 6-8). At the mixing ratio of W/2-PrOH (95/5), native Cn+ (n = 7-10) together with Gn+ (n = 1, 2) and native Un+ (n = 6-8) were detected with high ion intensities. The use of W/2-PrOH (95/5) is profitable because it enables the detection of native proteins with high detection sensitivities.


Asunto(s)
1-Propanol , 2-Propanol , Solventes , Proteínas , Espectrometría de Masas , Péptidos , Agua , Metanol
15.
Artículo en Chino | WPRIM (Pacífico Occidental) | ID: wpr-1031056

RESUMEN

Background Propylene glycol monomethyl ether (PGME) is a widely used organic solvent. It exists in the form of two isomers in the workplace, which will cause adverse effects such as eye and upper respiratory tract irritation in workers. However, there is still a lack of standard detection methods for simultaneous detection of two isomers of PGME in China. Objective To establish a solvent desorption-gas chromatographic method for two isomers of PGME [1-methoxy-2-propanol (α-PGME), 2-methoxy-1-propanol (β-PGME)] in workplace air. Methods A method of solvent desorption-gas chromatography for α-PGME and β-PGME in workplace air were proposed. Air samples were collected with solvent desorption activated carbon tubes, desorbed using a desorption solution of dichloromethane/methanol (85:15), and then separated on a free fatty acid phase (FFAP) fused silica capillary chromatography column , detected with a flame ionization detector (FID), and quantified by peak area. Standard evaluation protocol was followed to obtain key indicators: standard curve, limit of detection, lower limit of quantification, relative standard deviation (RSD) that measures precision, and spiked recovery of sample solutions that measures accuracy. Desorption efficiency, sampling efficiency, and adsorption capacity tests were conducted, sample stability was evaluated using spiked activated carbon tube preservation test, and interference test was also assessed. The developed method was then applied to field air sample testing. Results In this method, using dichloromethane/methanol (85:15) as the sample desorption solution, the quantitative detection ranges of α-PGME and β-PGME were 0.95-923.0 μg·mL−1 and 0.97-912.0 μg·mL−1 with both correlation coefficients of 0.999 9, the method limits of detection were 0.28 µg·mL−1 and 0.29 µg·mL−1, and the lower limits of quantification were 0.95 µg·mL−1 and 0.97 µg·mL1, respectively. The lowest concentrations detected were both 0.19 mg·m−3, and the lowest concentrations quantified were 0.63 mg·m−3 and 0.65 mg·m−3, respectively, under the conditions of sampling volume of 1.5 L and the volume of desorption solution of 1.0 mL. The intra-batch precisions for α-PGME and β-PGME were 2.8%-4.9% and 2.8%-5.1%, the inter-batch precisions were 4.2%-5.7% and 4.5%-5.9%, the spiked recoveries were 98.8%-100.3% and 96.4%-102.9%, and the desorption efficiencies were 92.7%-97.3% and 92.2%-98.1%, respectively. The average sampling efficiency was 100%, and the samples could be stored at room temperature (25-30 ℃) for at least 7 d and at 4 ℃ for at least 15 d. The adsorption capacities of the activated carbon sampling tube for α-PGME and β-PGME were greater than 13.9 mg and 2.7 mg (100 mg of activated carbon adsorbent), respectively. Possible co-existing components in workplace did not interfere with the determination of α-PGME and β-PGME. The short-time exposure concentrations of α-PGME and β-PGME in the spray painting unit of an automobile manufacturing company were determined to be 18.69 mg·m−3 and 2.19 mg·m−3, and the time-weighted average concentrations were 6.03 mg·m−3 and 1.08 mg·m−3 respectively. Conclusion This method is accurate, precise and suitable for on-site monitoring of the two isomers of PGME in workplace air.

16.
Polymers (Basel) ; 15(17)2023 Sep 01.
Artículo en Inglés | MEDLINE | ID: mdl-37688245

RESUMEN

Polypropylene synthesis is a critical process in the plastics industry, where control of catalytic activity is essential to ensure the quality and performance of the final product. In this study, the effect of two inhibitors, propanol and arsine, on the properties of synthesized polypropylene was investigated. Experiments were conducted using a conventional catalyst to polymerize propylene, and different concentrations of propanol and arsine were incorporated into the process. The results revealed that the addition of propanol led to a significant decrease in the Melt Flow Index (MFI) of the resulting polypropylene. The reduction in the MFI was most notable at a concentration of 62.33 ppm propanol, suggesting that propanol acts as an effective inhibitor by slowing down the polymerization rate and thus reducing the fluidity of the molten polypropylene. On the other hand, introducing arsine as an inhibitor increased the MFI of polypropylene. The maximum increase in the MFI was observed at a concentration of 0.035 ppm arsine. This suggests that small amounts of arsine affect the MFI and Mw of the produced PP. Regarding the catalyst productivity, it was found that as the concentration of propanol in the sample increased (approximately seven ppm), there was a decrease in productivity from 45 TM/kg to 44 TM/kg. Starting from 10 ppm, productivity continued to decline, reaching its lowest point at 52 ppm, with only 35 MT/kg. In the case of arsine, changes in catalyst productivity were observed at lower concentrations than with propanol. Starting from about 0.006 ppm, productivity decreased, reaching 39 MT/kg at a concentration of 0.024 ppm and further decreasing to 36 TM/kg with 0.0036 ppm. Computational analysis supported the experimental findings, indicating that arsine adsorbs more stably to the catalyst with an energy of -60.8 Kcal/mol, compared to propanol (-46.17 Kcal/mol) and isobutyl (-33.13 Kcal/mol). Analyses of HOMO and LUMO orbitals, as well as reactivity descriptors, such as electronegativity, chemical potential, and nucleophilicity, shed light on the potential interactions and chemical reactions involving inhibitors. Generated maps of molecular electrostatic potential (MEP) illustrated the charge distribution within the studied molecules, further contributing to the understanding of their reactivity. The computational results supported the experimental findings and provided additional information on the molecular interactions between the inhibitors and the catalyst, shedding light on the possible modes of inhibition. Solubles in xylene values indicate that both propanol and arsine affect the polymer's morphology, which may have significant implications for its properties and final applications.

17.
Molecules ; 28(16)2023 Aug 18.
Artículo en Inglés | MEDLINE | ID: mdl-37630376

RESUMEN

The use of solvents is overall recognized as an efficient method to improve the water permeability of polyamide thin film composite membranes (PA-TFC). The objective of this work was to test the performance of the membranes after exposing them to n-propanol (n-PrOH) to improve the permeability of the membranes while maintaining the rejection factor for small uncharged organic molecules, namely N-nitrosamines (NTRs). After the membranes were exposed to n-PrOH, the water permeability of the UTC73AC membrane increased by 98%, with minimal change in rejection. N-nitrosodiethylamine (NDEA) rejection decreased (3.4%), while N-nitrosodi-n-propylamine (NDPA) and N-nitrosodi-n-butylamine (NDBA) rejection increased by 0.9% and 2.8%, respectively. In contrast, for the BW30LE membrane, water permeability decreased (by 38.7%), while rejection factors increased by 14.5% for NDEA, 6.2% for NDPA, and 15.0% for NDBA. In addition, the morphology of the membrane surface before and after exposure to n-PrOH was analyzed. This result and the pore size distribution (PSD) curves obtained indicate that the rearrangement of polymer chains affects the network or aggregate pores in the PA layer, implying that a change in pore size or a change in pore size distribution could improve the permeability of water molecules, while the rejection factor for NTRs is not significantly affected.

18.
Int J Mol Sci ; 24(14)2023 Jul 12.
Artículo en Inglés | MEDLINE | ID: mdl-37511098

RESUMEN

The reductive catalytic fractionation of flax shives in the presence of bimetallic NiRu catalysts supported on oxidized carbon materials (CM) such as mesoporous Sibunit and carbon mesostructured by KAIST (CMK-3) was studied. The catalysts based on CMK-3 were characterized by a higher surface area (1216 m2/g) compared to the ones based on Sibunit (315 m2/g). The catalyst supported on CMK-3 (10Ni3RuC400) was characterized by a more uniform distribution of Ni particles, in contrast to the Sibunit-based catalyst (10Ni3RuS450), on the surface of which large agglomerated particles (300-400 nm) were presented. The bimetallic catalysts were found to be more selective towards propanol-substituted methoxyphenols compared to monometallic Ru/C and Ni/C catalysts. A high yield of monomers (up to 26 wt%, including 17% 4-propanol guaiacol) was obtained in the presence of a 10Ni3RuC400 catalyst based on CMK-3.


Asunto(s)
Etanol , Lino , Catálisis , 1-Propanol , Propanoles , Carbono
19.
J Ethnopharmacol ; 317: 116747, 2023 Dec 05.
Artículo en Inglés | MEDLINE | ID: mdl-37311500

RESUMEN

ETHNOPHARMACOLOGICAL RELEVANCE: Ramulus Cinnamomi, the dried twig of Cinnamomum cassia (L.) J.Presl., is a traditional Chinese medicine (TCM) with anti-inflammatory effects. The medicinal functions of Ramulus Cinnamomi essential oil (RCEO) have been confirmed, although the potential mechanisms by which RCEO exerts its anti-inflammatory effects have not been fully elucidated. AIM OF THE STUDY: To investigate whether N-acylethanolamine acid amidase (NAAA) mediates the anti-inflammatory effects of RCEO. MATERIALS AND METHODS: RCEO was extracted by steam distillation of Ramulus Cinnamomi, and NAAA activity was detected using HEK293 cells overexpressing NAAA. N-Palmitoylethanolamide (PEA) and N-oleoylethanolamide (OEA), both of which are NAAA endogenous substrates, were detected by liquid chromatography with tandem mass spectrometry (HPLC-MS/MS). The anti-inflammatory effects of RCEO were analyzed in lipopolysaccharide (LPS)-stimulated RAW264.7 cells, and the cell viability was measured with a Cell Counting Kit-8 (CCK-8) kit. The nitric oxide (NO) in the cell supernatant was measured using the Griess method. The level of tumor necrosis factor-α (TNF-α) in the RAW264.7 cell supernatant was determined using an enzyme-linked immunosorbent assay (ELISA) kit. The chemical composition of RCEO was assessed by gas chromatography-mass spectroscopy (GC-MS). The molecular docking study for (E)-cinnamaldehyde and NAAA was performed by using Discovery Studio 2019 software (DS2019). RESULTS: We established a cell model for evaluating NAAA activity, and we found that RCEO inhibited the NAAA activity with an IC50 of 5.64 ± 0.62 µg/mL. RCEO significantly elevated PEA and OEA levels in NAAA-overexpressing HEK293 cells, suggesting that RCEO might prevent the degradation of cellular PEA and OEA by inhibiting the NAAA activity in NAAA-overexpressing HEK293 cells. In addition, RCEO also decreased NO and TNF-α cytokines in lipopolysaccharide (LPS)-stimulated macrophages. Interestingly, the GC-MS assay revealed that more than 93 components were identified in RCEO, of which (E)-cinnamaldehyde accounted for 64.88%. Further experiments showed that (E)-cinnamaldehyde and O-methoxycinnamaldehyde inhibited NAAA activity with an IC50 of 3.21 ± 0.03 and 9.62 ± 0.30 µg/mL, respectively, which may represent key components of RCEO that inhibit NAAA activity. Meanwhile, docking assays revealed that (E)-cinnamaldehyde occupies the catalytic cavity of NAAA and engages in a hydrogen bond interaction with the TRP181 and hydrophobic-related interactions with LEU152 of human NAAA. CONCLUSIONS: RCEO showed anti-inflammatory effects by inhibiting NAAA activity and elevating cellular PEA and OEA levels in NAAA-overexpressing HEK293 cells. (E)-cinnamaldehyde and O-methoxycinnamaldehyde, two components in RCEO, were identified as the main contributors of the anti-inflammatory effects of RCEO by modulating cellular PEA levels through NAAA inhibition.


Asunto(s)
Lipopolisacáridos , Aceites Volátiles , Humanos , Lipopolisacáridos/farmacología , Factor de Necrosis Tumoral alfa , Aceites Volátiles/farmacología , Espectrometría de Masas en Tándem , Células HEK293 , Simulación del Acoplamiento Molecular , Antiinflamatorios/farmacología , Amidohidrolasas/metabolismo
20.
Foods ; 12(12)2023 Jun 07.
Artículo en Inglés | MEDLINE | ID: mdl-37372507

RESUMEN

Coenzyme Q10 (CoQ10) is a vitamin-like compound found naturally in plant- and animal-derived materials. This study aimed to determine the level of CoQ10 in some food by-products (oil press cakes) and waste (fish meat and chicken hearts) to recover this compound for further use as a dietary supplement. The analytical method involved ultrasonic extraction using 2-propanol, followed by high-performance liquid chromatography with diode array detection (HPLC-DAD). The HPLC-DAD method was validated in terms of linearity and measuring range, limits of detection (LOD) and quantification (LOQ), trueness, and precision. As a result, the calibration curve of CoQ10 was linear over the concentration range of 1-200 µg/mL, with an LOD of 22 µg/mL and an LOQ of 0.65 µg/mL. The CoQ10 content varied from not detected in the hempseed press cake and the fish meat to 84.80 µg/g in the pumpkin press cake and 383.25 µg/g in the lyophilized chicken hearts; very good recovery rates and relative standard deviations (RSDs) were obtained for the pumpkin press cake (100.9-116.0% with RSDs between 0.05-0.2%) and the chicken hearts (99.3-106.9% CH with RSDs between 0.5-0.7%), showing the analytical method's trueness and precision and thus its accuracy. In conclusion, a simple and reliable method for determining CoQ10 levels has been developed here.

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