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1.
Int J Legal Med ; 135(6): 2555-2565, 2021 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-34373945

RESUMO

A quite intriguing subject being intensively researched in the forensic toxicology field is the source of postmortem determined blood ethanol concentration: antemortem ingestion or postmortem microbial production. Our previous research on microbial ethanol production has reported a quantitative relationship between the ethanol and the higher alcohols and 1-butanol produced by Escherichia coli, Clostridium perfrigens, and Clostridium sporogenes. In this contribution, we continue our research reporting on the following: (i) the patterns of ethanol, higher alcohols, and 1-butanol production by the microbes Klebsiella pneumoniae, Staphylococcus aureus, and Enterococcus faecalis (all being aerobic/facultative anaerobic species, common corpse's colonizers, and ethanol producers), under controlled laboratory conditions, (ii) the mathematical modeling, with simple mathematical equations, of the correlation between ethanol concentration and the other studied alcohols' concentrations, by performing multiple linear regression analysis of the results, and (iii) the applicability of the constructed models in microbial cultures developed under different temperature than that used to build the models, in denatured blood cultures and in real postmortem cases. The aforementioned alcohols were proved to be all indicators of ethanol production, both in qualitative and quantitative terms. 1-Propanol was the most significant alcohol in modeling microbial ethanol production, followed by methyl-butanol. The K. pneumoniae's models achieved the best scoring in applicability (E < 40%) compared to the S. aureus and E. faecalis models, both at laboratory microbial cultures at 37 °C and real postmortem cases. Overall, a noteworthy accuracy in estimating the microbial ethanol in cultures and autopsy blood is achieved by the employed simple linear models.


Assuntos
Sangue/microbiologia , Enterococcus faecalis/química , Etanol/análise , Klebsiella pneumoniae/química , Staphylococcus aureus/química , 1-Butanol/análise , 1-Propanol/análise , Aerobiose , Anaerobiose , Autopsia , Concentração Alcoólica no Sangue , Butanóis/análise , Humanos , Modelos Teóricos , Pentanóis/análise
2.
Forensic Sci Int ; 325: 110905, 2021 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-34280599

RESUMO

INTRODUCTION: In cases of drunk-driving, allegations that alcohol has been consumed after the incident, are proved by analyzing congener alcohols in the blood sample. 1-Propanol, one of the main congener compounds, was tested, whether it is also endogenously formed when a person has consumed alcoholic beverages. METHODS: Eleven male and 13 female volunteers consumed congener-free vodka (37.5 vol% ethanol, individual doses: 0.15-0.32 l) within one hour. Blood samples were taken up to 10 h and analyzed for ethanol and congener alcohols by headspace gas chromatography-mass spectrometry. RESULTS: Ethanol concentrations reached in blood a maximum of 0.65-1.23 g/l and decreased by 0.18 g/l/h (median values). Of the congener alcohols analyzed, only methanol and 1-propanol were detected in the plasma samples of all subjects. The endogenous methanol concentration increased from 0.66 mg/l by 0.22 mg/l/h to 2.19 mg/l (medians). 1-Propanol was not detected prior to alcohol consumption. Maximum concentrations of 0.10-0.32 mg/L were measured after 1.0-4.5 h. A plateau of the 1-propanol concentration was observed in the plasma samples of the 18 subjects lasting for 0.5-4.0 h and this alcohol was completely eliminated at ethanol concentrations of 0.17 g/l (median, range 0.03-0.55 g/l). CONCLUSION: The results of the study confirm the formation of 1-propanol after consumption of 1-propanol-free beverages, which should be taken into account when evaluating its concentration.


Assuntos
1-Propanol/sangue , Consumo de Bebidas Alcoólicas , Depressores do Sistema Nervoso Central/sangue , Etanol/sangue , Metanol/sangue , Adulto , Bebidas Alcoólicas , Feminino , Toxicologia Forense , Cromatografia Gasosa-Espectrometria de Massas , Humanos , Masculino , Adulto Jovem
3.
Artigo em Inglês | MEDLINE | ID: mdl-34073065

RESUMO

The purpose of disinfectants is to reduce microorganisms on a contaminated surface and to prevent the spread of microorganisms. The relatively new EN 16615 simulates disinfection by wiping and allows for assessing the recovery of microorganisms from the surface and, importantly, the degree of spread of microorganisms when the surface is disinfected by wiping. For the first time, using this standard, the tested products in the form of commercial disinfectant wipes were compared with self-made wipes soaked in respective disinfectant liquids. The disinfected surfaces were simulated by homogeneous polyvinyl chloride plates. The studies were carried out not only with the standard, but also with clinical multidrug-resistant microbial strains. Based on the research, it can be concluded that the most effective products in the disinfection process (log10 reduction of ≥5) with the shortest contact time (1 min) were products containing ethanol, propanol, and quaternary ammonium compounds (self-made wipes) and propanol (commercial wipes). The least effective products (log10 reduction of <5) in terms of the contact time declared by the manufacturer were products containing ethanol and sodium hypochlorite (commercial wipes). Much better antimicrobial activity of self-made wipes was observed in comparison to the activity of the commercial wipes.


Assuntos
Desinfetantes , 1-Propanol , Desinfetantes/farmacologia , Desinfecção , Compostos de Amônio Quaternário/farmacologia
4.
Forensic Sci Int ; 324: 110809, 2021 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-33993011

RESUMO

In previous research, we modeled the ethanol production by certain bacteria under controlled experimental conditions in an attempt to quantify the production of microbial postmortem ethanol in cases where other alcohols were co-detected. This contribution on the modeling of postmortem ethanol production by Candida albicans is complementary to these previous studies. Τhis work aimed to study ethanol, higher alcohols (1-propanol, isobutanol, 2-methyl-1-butanol and 3-methyl-1-butanol), and 1-butanol production by Candida albicans: (i) in different culture media (Brain Heart Infusion, BHI and, Sabouraud Dextrose Broth, SDB), (ii) under mixed aerobic/anaerobic or strict anaerobic conditions, and (iii) at different temperatures (37 °C, 25 °C and, 4 °C), and develop simple mathematical models, resulted from fungal cultures at 25 °C, to predict the microbially produced ethanol in correlation with the other alcohols. The applicability of the models was tested in the C. albicans cultures in BHI and SDB media at 37 °C, in denatured human blood at 25 °C, acidic and neutral with different concentrations of additional glucose, in acidic denatured blood diluted with dextrose solution and in blood from autopsy cases. The received results indicated that the C. albicans models could apply in cases where yeasts have been activated in blood with elevated glucose levels. Overall, the in vitro ethanol production by C. albicans in blood depended on temperature, time, glucose (or carbohydrate) content, pH of the medium and endogenous changes in the medium composition through time. Our results showed that methyl-butanol is the most significant indicator of fungal ethanol production, followed by the equally important isobutanol and 1-propanol in qualitative and quantitative terms.


Assuntos
Candida albicans/metabolismo , Etanol/metabolismo , Modelos Teóricos , Mudanças Depois da Morte , 1-Butanol/metabolismo , 1-Propanol/metabolismo , Glicemia , Butanóis/metabolismo , Técnicas de Cultura , Humanos , Pentanóis/metabolismo , Manejo de Espécimes , Temperatura
5.
Chemosphere ; 281: 130755, 2021 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-34004517

RESUMO

An experimental kinetic and mechanistic study of the reactions of 3-ethoxy-1-propanol (CH3CH2OCH2CH2CH2OH) with Cl atoms and OH and NO3 radicals has been carried out at room temperature and atmospheric pressure. FTIR (Fourier Transform Infrared Spectroscopy) and GC-MS (Gas Chromatography/Mass Spectrometry) were used as detection techniques. The rate coefficients were measured with a relative method (units cm3 molecule-1 s-1): (3.46 ± 0.22) × 10-10, (3.48 ± 0.19) × 10-11 and (1.08 ± 0.07) × 10-14 for Cl, OH and NO3 reactions, respectively. Qualitative and quantitative products analysis was carried out and formaldehyde, ethyl formate, ethyl 3-hydroxypropanoate and nitrated compounds were positively identified. A reaction mechanism has been proposed which involves attack by the oxidant at the methylene group in the α-position to an oxygen atom of the ether or alcohol groups, followed by the subsequent reactions of the resulting radicals. The tropospheric reactivity of 3-ethoxy-1-propanol (3E1P) has been compared with the reactivity of other hydroxy ethers to extend our knowledge of this type of compound. The atmospheric implications for 3E1P have been established by estimating parameters such as lifetimes, global warming potential (GWP) and the Photochemical Ozone Creation Potential (POCPE). According to the calculated tropospheric lifetimes, the dominant loss process of 3E1P is its daytime reaction with the OH radical and this has an impact on a local scale.


Assuntos
1-Propanol , Ozônio , Pressão Atmosférica , Cloro , Cromatografia Gasosa-Espectrometria de Massas , Radical Hidroxila , Cinética
6.
J Agric Food Chem ; 69(5): 1637-1646, 2021 Feb 10.
Artigo em Inglês | MEDLINE | ID: mdl-33502852

RESUMO

The n-propanol produced by Saccharomyces cerevisiae has a remarkable effect on the taste and flavor of Chinese Baijiu. The n-propanol metabolism-related genes were deleted to evaluate the role in the synthesis of n-propanol to ascertain the key genes and pathways for the production of n-propanol by S. cerevisiae. The results showed that CYS3, GLY1, ALD6, PDC1, ADH5, and YML082W were the key genes affecting the n-propanol metabolism in yeast. The n-propanol concentrations of α5ΔGLY1, α5ΔCYS3, and α5ΔALD6 increased by 121.75, 22.75, and 17.78%, respectively, compared with α5. The n-propanol content of α5ΔPDC1, α5ΔADH5, and α5ΔYML082W decreased by 24.98, 8.35, and 8.44%, respectively, compared with α5. The contents of intermediate metabolites were measured, and results showed that the mutual transformation of glycine and threonine in the threonine pathway and the formation of propanal from 2-ketobutyrate were the core pathways for the formation of n-propanol. Additionally, YML082W played important role in the synthesis of n-propanol by directly producing 2-ketobutyric acid through l-homoserine. This study provided valuable insights into the n-propanol synthesis in S. cerevisiae and the theoretical basis for future optimization of yeast strains in Baijiu making.


Assuntos
1-Propanol/metabolismo , Proteínas de Saccharomyces cerevisiae/genética , Saccharomyces cerevisiae/genética , Saccharomyces cerevisiae/metabolismo , Fermentação , Genes Reguladores , Redes e Vias Metabólicas , Proteínas de Saccharomyces cerevisiae/metabolismo , Vinho/análise , Vinho/microbiologia
7.
J Nat Prod ; 84(1): 20-25, 2021 01 22.
Artigo em Inglês | MEDLINE | ID: mdl-33415978

RESUMO

The structural elucidation of chiral molecules with more than one stereocenter is usually a tricky problem. In this paper, efficient 1H NMR spectroscopic approaches for assigning the erythro and threo configurations of 1-oxygenated 1,2-diarylpropan-3-ols were developed. By analysis of the chemical shift differences of diastereotopic methylene H2-3 (Δδ3) in CDCl3 or the chemical shift differences of H-1 and H-2 (Δδ1,2) in methanol-d4, deuterated dimethyl sulfoxide, and acetone-d6, the configurations of 1-oxygenated 1,2-diarylpropan-3-ols can be rapidly and conveniently determined.


Assuntos
1-Propanol/química , Dimetil Sulfóxido/química , Oxigênio/química , Espectroscopia de Ressonância Magnética/métodos , Estereoisomerismo
8.
Int J Legal Med ; 135(1): 223-233, 2021 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-33026504

RESUMO

The objective of this study was to determine if a relationship between microbial neoformation of volatiles and the post-mortem interval (PMI) exists, and if the volatiles could be used as a tool to improve the precision of PMI estimation in decomposed human remains found in an indoor setting. Chromatograms from alcohol analysis (femoral vein blood) of 412 cases were retrospectively assessed for the presence of ethanol, N-propanol, 1-butanol, and acetaldehyde. The most common finding was acetaldehyde (83% of the cases), followed by ethanol (37%), N-propanol (21%), and 1-butanol (4%). A direct link between the volatiles and the PMI or the degree of decomposition was not observed. However, the decomposition had progressed faster in cases with microbial neoformation than in cases without signs of neoformation. Microbial neoformation may therefore act as an indicator of the decomposition rate within the early decomposition to bloating stages. This may be used in PMI estimation based on the total body score (TBS) and accumulated degree days (ADD) model, to potentially improve the model's precision.


Assuntos
1-Butanol/sangue , 1-Propanol/sangue , Acetaldeído/sangue , Restos Mortais , Etanol/sangue , Mudanças Depois da Morte , Adulto , Idoso , Idoso de 80 Anos ou mais , Cromatografia Gasosa/métodos , Feminino , Humanos , Masculino , Pessoa de Meia-Idade , Estudos Retrospectivos , Adulto Jovem
9.
Environ Microbiol ; 23(1): 499-511, 2021 01.
Artigo em Inglês | MEDLINE | ID: mdl-33283462

RESUMO

Acetobacterium woodii utilizes the Wood-Ljungdahl pathway for reductive synthesis of acetate from carbon dioxide. However, A. woodii can also perform non-acetogenic growth on 1,2-propanediol (1,2-PD) where instead of acetate, equal amounts of propionate and propanol are produced as metabolic end products. Metabolism of 1,2-PD occurs via encapsulated metabolic enzymes within large proteinaceous bodies called bacterial microcompartments. While the genome of A. woodii harbours 11 genes encoding putative alcohol dehydrogenases, the BMC-encapsulated propanol-generating alcohol dehydrogenase remains unidentified. Here, we show that Adh4 of A. woodii is the alcohol dehydrogenase required for propanol/ethanol formation within these microcompartments. It catalyses the NADH-dependent reduction of propionaldehyde or acetaldehyde to propanol or ethanol and primarily functions to recycle NADH within the BMC. Removal of adh4 gene from the A. woodii genome resulted in slow growth on 1,2-PD and the mutant displayed reduced propanol and enhanced propionate formation as a metabolic end product. In sum, the data suggest that Adh4 is responsible for propanol formation within the BMC and is involved in redox balancing in the acetogen, A. woodii.


Assuntos
Acetatos/metabolismo , Acetobacterium/enzimologia , Álcool Desidrogenase/metabolismo , Proteínas de Bactérias/metabolismo , 1-Propanol/metabolismo , Acetaldeído/metabolismo , Acetobacterium/genética , Acetobacterium/crescimento & desenvolvimento , Álcool Desidrogenase/genética , Aldeídos/metabolismo , Proteínas de Bactérias/genética , Dióxido de Carbono/metabolismo , Etanol/metabolismo , Genoma Bacteriano , NAD/metabolismo , Oxirredução
10.
Contact Dermatitis ; 84(1): 1-14, 2021 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-33063847

RESUMO

BACKGROUND: The use of alcoholic-based hand rubs (ABHRs) is an important tool for hand hygiene, especially in times of the COVID-19 pandemic. Possible irritant effects of ABHR may prevent their use by persons at risk of infection. METHODS: This systematic review is based on a PubMed search of articles published between January 2000 and September 2019 in English and German, and a manual search, related to the irritation potential of alcohol-based disinfectants restricted to n-propanol (1-propanol) and its structural isomer isopropanol (isopropyl alcohol, 2-propanol). RESULTS: The majority of the included studies show a low irritation potential of n-propanol alone. However, recent studies provide evidence for significant barrier damage effects of repeated exposure to 60% n-propanol in healthy, as well as atopic skin in vivo. The synergistic response of combined irritants, (ie, a combination of n-propanol or isopropanol with detergents such as sodium lauryl sulfate) is greater, compared with a quantitatively identical application of the same irritant alone. CONCLUSION: While recent studies indicate a higher risk of skin irritation for n-propanol and isopropanol than reported in the past, this risk still seems to be lower than that for frequent handwashing with detergents, as recommended by some to prevent COVID-19 infections.


Assuntos
1-Propanol/efeitos adversos , 2-Propanol/efeitos adversos , COVID-19/prevenção & controle , Dermatite Irritante/etiologia , Anti-Infecciosos Locais/efeitos adversos , Desinfecção das Mãos/métodos , Humanos
11.
Anim Sci J ; 91(1): e13482, 2020 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-33277806

RESUMO

To improve the utilization efficiency of total mixed ration (TMR) on Tibetan plateau, the effects of different additives on fermentation quality and aerobic stability of the ensiled TMR prepared with local feed resources were studied. A total of 150 experimental silos were prepared in a completely randomized design to evaluate the following treatments: (a) control; (b) Lactobacillus buchneri; (c) acetic acid; (d) propionic acid; (e) 1,2-propanediol; and (f) 1-propanol. After 90 days of ensiling, silos were opened for fermentation quality and in vitro parameters analysis, and then subjected to an aerobic stability test for 14 days. The acetic acid, 1,2-propanediol and 1-propanol treatments increased (p < .05) pH and acetic acid content, and lowered (p < .05) the lactic acid production in comparison to control. There were no statistically significant differences in in vitro digestibility parameters among the treatments. Treatments of acetic acid, 1,2-propanediol and 1-propanol substantially improved the aerobic stability of the ensiled TMR, as indicated by almost unchanged pH and lactic acid contents throughout the aerobic exposure test. These results indicated that acetic acid, 1,2-propanediol and 1-propanol had no adverse effect on in vitro digestibility and could be effective additives for enhancing the aerobic stability of ensiled TMR prepared on Tibetan plateau.


Assuntos
Aerobiose , Fermentação , Qualidade dos Alimentos , Silagem/análise , 1-Propanol , Ácido Acético/análise , Concentração de Íons de Hidrogênio , Ácido Láctico/análise , Lactobacillus , Propionatos , Propilenoglicol , Tibet , Fatores de Tempo
12.
J Phys Chem B ; 124(46): 10374-10385, 2020 11 19.
Artigo em Inglês | MEDLINE | ID: mdl-33172260

RESUMO

Atomistic molecular dynamics simulations have been carried out with a view to investigating the stability of the SARS-CoV-2 exterior membrane with respect to two common disinfectants, namely, aqueous solutions of ethanol and n-propanol. We used dipalmitoylphosphatidylcholine (DPPC) as a model membrane material and did simulations on both gel and liquid crystalline phases of membrane surrounded by aqueous solutions of varying alcohol concentrations (up to 17.5 mol %). While a moderate effect of alcohol on the gel phase of membrane is observed, its liquid crystalline phase is shown to be influenced dramatically by either alcohol. Our results show that aqueous solutions of only 5 and 10 mol % alcohol already have significant weakening effects on the membrane. The effects of n-propanol are always stronger than those of ethanol. The membrane changes its structure, when exposed to disinfectant solutions; uptake of alcohol causes it to swell laterally but to shrink vertically. At the same time, the orientational order of lipid tails decreases significantly. Metadynamics and grand-canonical ensemble simulations were done to calculate the free-energy profiles for permeation of alcohol and alcohol/water solubility in the DPPC. We found that the free-energy barrier to permeation of the DPPC liquid crystalline phase by all permeants is significantly lowered by alcohol uptake. At a disinfectant concentration of 10 mol %, it becomes insignificant enough to allow almost free passage of the disinfectant to the inside of the virus to cause damage there. It should be noted that the disinfectant also causes the barrier for water permeation to drop. Furthermore, the shrinking of the membrane thickness shortens the gap needed to be crossed by penetrants from outside the virus into its core. The lateral swelling also increases the average distance between head groups, which is a secondary barrier to membrane penetration, and hence further increases the penetration by disinfectants. At alcohol concentrations in the disinfectant solution above 15 mol %, we reliably observe disintegration of the DPPC membrane in its liquid crystalline phase.


Assuntos
1-Propanol/química , Desinfetantes/química , Etanol/química , Bicamadas Lipídicas/química , Fluidez de Membrana/efeitos dos fármacos , Permeabilidade/efeitos dos fármacos , 1,2-Dipalmitoilfosfatidilcolina/química , Simulação de Dinâmica Molecular , SARS-CoV-2/química , Envelope Viral/efeitos dos fármacos
13.
Inhal Toxicol ; 32(13-14): 468-476, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-33179563

RESUMO

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 (ß-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 (n = 605) and its conjugates with acrolein (n = 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 (p < 0.02) and those of Caucasian ethnicity (p < 0.02). Levels of carnosine-propanol were significantly higher in never-smokers (p = 0.001) but lower in current smokers (p = 0.037). This conjugate also demonstrated a negative association with mean-daily particulate air pollution (PM2.5) levels (p = 0.01). CONCLUSIONS: These findings suggest that urinary levels of carnosine-propanol may inform as to risk from inhaled pollutants.


Assuntos
Aldeídos/urina , Carnosina/urina , Exposição por Inalação , Fumar/urina , 1-Propanol/urina , Adulto , Poluentes Atmosféricos/farmacocinética , Aldeídos/farmacocinética , Monitoramento Biológico , Feminino , Humanos , Masculino , Pessoa de Meia-Idade , Fumar/metabolismo
14.
Ann Acad Med Singap ; 49(9): 674-676, 2020 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-33241256

RESUMO

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.


Assuntos
COVID-19/prevenção & controle , Dermatite Alérgica de Contato/terapia , Dermatite Irritante/terapia , Emolientes/uso terapêutico , Dermatoses da Mão/terapia , Desinfecção das Mãos/métodos , Higroscópicos/uso terapêutico , 1-Propanol/efeitos adversos , 2-Propanol/efeitos adversos , Anti-Infecciosos Locais/efeitos adversos , Dermatite Alérgica de Contato/etiologia , Dermatite Irritante/etiologia , Dermatite Ocupacional/etiologia , Dermatite Ocupacional/terapia , Detergentes/efeitos adversos , Etanol/efeitos adversos , Dermatoses da Mão/etiologia , Higiene das Mãos , Higienizadores de Mão/efeitos adversos , Pessoal de Saúde , Humanos
15.
Int J Legal Med ; 134(6): 2081-2093, 2020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-32940841

RESUMO

Accurate determination of a person's blood alcohol concentration (BAC) is an important task in forensic toxicology laboratories because of the existence of statutory limits for driving a motor vehicle and workplace alcohol testing regulations. However, making a correct interpretation of the BAC determined in postmortem (PM) specimens is complicated, owing to the possibility that ethanol was produced in the body after death by the action of various micro-organisms (e.g., Candida species) and fermentation processes. This article reviews various ways to establish the source of ethanol in PM blood, including collection and analysis of alternative specimens (e.g., bile, vitreous humor (VH), and bladder urine), the identification of non-oxidative metabolites of ethanol, ethyl glucuronide (EtG) and ethyl sulfate (EtS), the urinary metabolites of serotonin (5-HTOL/5-HIAA), and identification of n-propanol and n-butanol in blood, which are known putrefaction products. Practical utility of the various biomarkers including specificity and stability is discussed.


Assuntos
Concentração Alcoólica no Sangue , Etanol/análise , Glucuronatos/análise , Serotonina/metabolismo , Ésteres do Ácido Sulfúrico/análise , 1-Butanol/sangue , 1-Propanol/sangue , Autopsia , Ionização de Chama , Toxicologia Forense , Cromatografia Gasosa-Espectrometria de Massas , Serotonina/urina , Manejo de Espécimes
16.
Appl Microbiol Biotechnol ; 104(21): 9219-9228, 2020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-32954455

RESUMO

(R)-3-Chloro-1-phenyl-1-propanol ((R)-CPPO) is an important chiral intermediate for antidepressants. For its efficient biosynthesis, the carbonyl reductase EbSDR8 was engineered to asymmetrically reduce the unnatural substrate 3-chloro-1-phenyl-1-propanone (3-CPP) at high concentrations. Molecular docking and molecular dynamics simulations of the resulting mutants suggested enlarged substrate binding pocket and more reasonable interactions between the enzyme and the substrate or cofactor as the reasons for the enhanced catalytic activity and thus the remarkably improved conversion of high-concentration 3-CPP. Using the best mutant EbSDR8G94A/L153I/Y188A/Y202M as the whole-cell biocatalyst, reduction of 3-CPP (1.0 M) was conducted using 100% isopropanol as both the solvent and co-substrate for NADH regeneration, delivering (R)-CPPO with ˃ 99% eep and 95.5% conversion. This result suggests EbSDR8G94A/L153I/Y188A/Y202M as a potential biocatalyst for green production of (R)-CPPO at the industrial scale. KEY POINTS: • Rational design of EbSDR8 by modulating steric hindrance and molecular interactions; • Non-aqueous biocatalysis using isopropanol as both the solvent and co-substrate; • Whole-cell catalyzed production of 161 g/L enantiopure (R)-CPPO from 1.0 M of 3-CPP. Graphical Abstract.


Assuntos
1-Propanol , Oxirredutases do Álcool , Álcoois Benzílicos , Simulação de Acoplamento Molecular
17.
Sci Total Environ ; 748: 141496, 2020 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-32818897

RESUMO

Soil amendments like ethylene-diamine-tetraacetic-acid (EDTA) have extensively been used for enhancing lead (Pb) phytoextraction. But due to its toxic effects, environment friendly substitute is required. Therefore, the present study was conducted to investigate the effect of EDTA and Di-iso-propanol-amine (DIPA) to enhance Pb phytoavailability and uptake by Pelargonium hortorum along with comparative toxicities of both organic amendments. For this purpose, soil was spiked with Pb concentrations (0, 500, 750, 1000 and 1500 mg kg1) and amended with EDTA and DIPA at dosage levels (0, 1.5, 3, 5, 7.5, 10 mmol kg-1) for plantation of Pelargonium hortorum. Soil samples were extracted with MgCl2, plant samples were acid digested and analyzed for metal content. Biomass and root/shoot length of Pelargonium hortorum was decreased with increase in concentration of Pb and chelating agents. Phytoavailability of Pb at 1500 mg kg-1 with EDTA 10 mmol kg-1 was 0.3-folds in comparison to DIPA at the same dosage. Pelargonium hortorum plants amended with EDTA and DIPA at 10 mmol kg-1 with Pb 1000 mg kg-1 were found to uptake Pb 5.3-fold and 2.5-folds, respectively in comparison to Pb 1000 mg kg-1 alone. Pb uptake decreased at 1500 mg kg-1 with both chelating agents. The EDTA alone and in combination with 1500 mg Pb kg-1 showed maximum genotoxicity by reducing the mitotic index and increasing the micronuclei formation. EDTA+Pb showed maximum toxicity followed by Pb and DIPA. Overall, 10 mmol kg-1 of EDTA and DIPA performed better among all dosages in enhancing phytoavailability and uptake of Pb. DIPA showed less toxicity than that caused by EDTA, with comparable ability to promote Pb phytoextraction.


Assuntos
Pelargonium , Poluentes do Solo , 1-Propanol , Biodegradação Ambiental , Quelantes , Ácido Edético , Chumbo/toxicidade , Propanóis , Poluentes do Solo/análise , Poluentes do Solo/toxicidade
18.
Chem Senses ; 45(7): 513-521, 2020 10 09.
Artigo em Inglês | MEDLINE | ID: mdl-32609815

RESUMO

Probing the neural mechanisms that underlie each sensory system requires the presentation of perceptually appropriate stimulus concentrations. This is particularly relevant in the olfactory system as additional odorant receptors typically respond with increasing stimulus concentrations. Thus, perceptual measures of olfactory sensitivity provide an important guide for functional experiments. This study focuses on aliphatic alcohols because they are commonly used to survey neural activity in a variety of olfactory regions, probe the behavioral limits of odor discrimination, and assess odor-structure activity relationships in mice. However, despite their frequent use, a systematic study of the relative sensitivity of these odorants in mice is not available. Thus, we assayed the ability of C57BL/6J mice to detect a homologous series of primary aliphatic alcohols (1-propanol to 1-heptanol) using a head-fixed Go/No-Go operant conditioning assay combined with highly reproducible stimulus delivery. To aid in the accessibility of our data, we report the animal's threshold to each odorant according to the 1) ideal gas condition, 2) nonideal gas condition (factoring in the activity of the odorant in the solvent), and 3) the liquid dilution of the odorant in the olfactometer. Of the odorants tested, mice were most sensitive to 1-hexanol and least sensitive to 1-butanol. These updated measures of murine sensitivity will hopefully guide experimenters in choosing appropriate stimulus concentrations for experiments using these odorants.


Assuntos
Álcoois Graxos/química , Limiar Sensorial/fisiologia , Olfato/fisiologia , 1-Butanol/química , 1-Butanol/farmacologia , 1-Propanol/química , 1-Propanol/farmacologia , Animais , Comportamento Animal/efeitos dos fármacos , Álcoois Graxos/farmacologia , Feminino , Gases/química , Heptanol/química , Heptanol/farmacologia , Masculino , Camundongos , Camundongos Endogâmicos C57BL , Limiar Sensorial/efeitos dos fármacos
19.
J Pharm Sci ; 109(10): 3021-3026, 2020 10.
Artigo em Inglês | MEDLINE | ID: mdl-32623004

RESUMO

The solid-liquid solubility of two polymorphs of the title compound has been measured in n-propanol over the temperature range (278 K-303 K) by an isothermal, gravimetric method and a low heating rate polythermal method. Due to marked differences in the settling behavior of crystals of the two polymorphs in the investigated solvent, it is found that the low heating rate polythermal method gives the overall best performance for this particular system. Systematic slurry conversion experiments show that FII is the stable polymorph over the investigated temperature range (268 K-308 K). Solubility data for both polymorphs is well correlated, and has been extrapolated to the melting point, by a previously proposed semi-empirical regression model based on solid-phase calorimetric data. The system exhibits a marked positive deviation from Raoult's law, with solute activity coefficients at equilibrium decreasing with increasing temperature.


Assuntos
1-Propanol , Tolbutamida , Varredura Diferencial de Calorimetria , Cristalização , Solubilidade , Termodinâmica
20.
Foot Ankle Int ; 41(8): 1007-1016, 2020 08.
Artigo em Inglês | MEDLINE | ID: mdl-32517493

RESUMO

Surgical site infection (SSI) following orthopedic foot and ankle surgery is associated with morbidity, mortality, and cost to the healthcare system. The local anatomy and physiology predispose patients undergoing procedures to elevated risk. In particular, sterilizing of the webspaces, nailfolds, and subungual areas presents challenges, and the preferred skin antisepsis technique for foot and ankle procedures has not yet been defined. Skin antiseptic solutions (SASs) consist of 3 main categories: alcohol, chlorhexidine, and iodine-based solutions. This review of the literature supports a combined chlorhexidine and alcohol preparation technique; however, there are a number of studies that suggest otherwise. In addition, there is variable evidence for the use of alternatives to the standard soft sponge application technique, including immersion, bristled brush, and cotton gauze application. These alternatives may have a particular advantage in the forefoot. Most studies to date use growth from skin swab cultures after skin preparation as the primary outcome. Higher-level studies with large subject populations and more meaningful clinical outcomes will be required to solidify guidelines for preoperative skin antisepsis prior to foot and ankle procedures.Level of Evidence: Level V, expert opinion.


Assuntos
Anti-Infecciosos Locais/administração & dosagem , Clorexidina/administração & dosagem , Procedimentos Ortopédicos , Cuidados Pré-Operatórios/métodos , Infecção da Ferida Cirúrgica/prevenção & controle , 1-Propanol/administração & dosagem , 2-Propanol/administração & dosagem , Tornozelo/cirurgia , Etanol/administração & dosagem , Pé/cirurgia , Humanos
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