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1.
Sensors (Basel) ; 21(22)2021 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-34833651

RESUMO

The presence of benzene and similar aromatic compounds in civil environments is due to anthropic actions but also to natural sources. Natural gas consists of a gas mixture where benzene and related compounds are usually presents. Thus, the detection of these compounds in natural gas pipelines is of the utmost importance as well as the control of the concentration level, which must remain below the limits consented by law. In this regard, it is of striking interest to engineer devices able to detect these compounds by automatic and continuous remote control. Here, we discuss the application of an optical device designed for the measurement of sulfured odorizing agents in natural gas pipelines aiming at the detection and the measurement of benzene, toluene, and xylenes (BTX) in the same contexts. The instrument consists of a customized UV spectrophotometer connected to an automatic control system able to provide in-field detections of BTX through a continuous and remote check of the gaseous mixture. Relatively to benzene, the instrument is characterized by values of LOD (level of detection) and LOQ (level of quantification) equal to 0.55 and 1.84 mg/Sm3, respectively. Similar limits are found for toluene and xylenes (LOD of 0.81, 1.05, 1.41, and 1.00 mg/Sm3 for toluene, meta-, ortho-, and para-xylene, respectively).


Assuntos
Benzeno , Gás Natural , Benzeno/análise , Derivados de Benzeno , Tolueno/análise , Xilenos
2.
Biomaterials ; 278: 121138, 2021 11.
Artigo em Inglês | MEDLINE | ID: mdl-34634662

RESUMO

Chemoresistance and inadequate therapeutics transport across the blood brain barrier (BBB) remain the major barriers to treating medulloblastoma (MB). Hedgehog (Hh) and IGF/PI3K pathways regulate tumor cell proliferation and resistance in MB. Current Hh inhibitors are effective initially to treat SHH-MB but acquire resistance. Herein, we showed that Hh inhibitor MDB5 and BRD4/PI3K dual inhibitor SF2523 synergistically inhibited the proliferation of DAOY and HD-MB03 cells when used in combination. Treatment of these MB cells with the combination of MDB5 and SF2523 significantly decreased colony formation and expression of MYCN, p-AKT, and cyclin D1 but significantly increased in Bax expression, compared to individual drugs. We used our previously reported copolymer mPEG-b-PCC-g-DC copolymer, which showed 8.7 ± 1.0 and 6.5 ± 0.1% loading for MDB5 and SF2523 when formulated into nanoparticles (NPs). There was sustained drug release from NPs, wherein 100% of MDB5 was released in 50 h, but only 60% of SF2523 was released in 80 h. Targeted NPs prepared by mixing 30:70 ratio of COG-133-PEG-b-PBC and mPEG-b-PCC-g-DC copolymer delivered a significantly higher drug concentration in the cerebellum at 6 and 24h after intravenous injection into orthotopic SHH-MB tumor-bearing NSG mice. Moreover, systemic administration of COG-133-NPs loaded with MDB5 and SF2523 resulted in decreased tumor burden compared to non-targeted drug-loaded NPs, without any hepatic toxicity. In conclusion, our nanomedicine of MDB5 and SF2523 offers a novel therapeutic strategy to treat chemoresistant MB.


Assuntos
Neoplasias Cerebelares , Meduloblastoma , Animais , Derivados de Benzeno , Linhagem Celular Tumoral , Neoplasias Cerebelares/tratamento farmacológico , Neoplasias Cerebelares/genética , Proteínas Hedgehog , Meduloblastoma/tratamento farmacológico , Meduloblastoma/genética , Camundongos , Morfolinas , Nanomedicina , Proteínas Nucleares , Fosfatidilinositol 3-Quinases , Piranos , Piridinas , Fatores de Transcrição
3.
Molecules ; 26(19)2021 Sep 28.
Artigo em Inglês | MEDLINE | ID: mdl-34641410

RESUMO

Benzoquinolizidinone systems were synthesized in both enantiomeric forms from L-glutamic acid. The key chiral arylethylglutarimide intermediate was synthesized from dibenzylamino-glutamate and homoveratrylamine. Aldol reaction of the glutarimide afforded a mixture of syn and anti-aldol adducts. Subsequent regioselective hydride reduction of the glutarimide carbonyl followed by N-acyliminium ion cyclization afforded a product with opposite absolute configurations at C3 and C11b. Cope elimination of the dibenzylamino group then converted the two diastereomers into enantiomers.


Assuntos
Derivados de Benzeno/síntese química , Ácido Glutâmico/química , Quinolizinas/síntese química , Catálise , Ciclização , Estereoisomerismo
4.
Int J Mol Sci ; 22(19)2021 Sep 29.
Artigo em Inglês | MEDLINE | ID: mdl-34638861

RESUMO

Among organic-inorganic hybrid molecules consisting of organic structure(s) and metal(s), only few studies are available on the cytotoxicity of nucleophilic molecules. In the present study, we investigated the cytotoxicity of a nucleophilic organotellurium compound, diphenyl ditelluride (DPDTe), using a cell culture system. DPDTe exhibited strong cytotoxicity against vascular endothelial cells and fibroblasts along with high intracellular accumulation but showed no cytotoxicity and had less accumulation in vascular smooth muscle cells and renal epithelial cells. The cytotoxicity of DPDTe decreased when intramolecular tellurium atoms were replaced with selenium or sulfur atoms. Electronic state analysis revealed that the electron density between tellurium atoms in DPDTe was much lower than those between selenium atoms of diphenyl diselenide and sulfur atoms of diphenyl disulfide. Moreover, diphenyl telluride did not accumulate and exhibit cytotoxicity. The cytotoxicity of DPDTe was also affected by substitution. p-Dimethoxy-DPDTe showed higher cytotoxicity, but p-dichloro-DPDTe and p-methyl-DPDTe showed lower cytotoxicity than that of DPDTe. The subcellular distribution of the compounds revealed that the compounds with stronger cytotoxicity showed higher accumulation rates in the mitochondria. Our findings suggest that the electronic state of tellurium atoms in DPDTe play an important role in accumulation and distribution of DPDTe in cultured cells. The present study supports the hypothesis that nucleophilic organometallic compounds, as well as electrophilic organometallic compounds, exhibit cytotoxicity by particular mechanisms.


Assuntos
Derivados de Benzeno/farmacologia , Células Endoteliais/efeitos dos fármacos , Compostos Organometálicos/farmacologia , Compostos Organosselênicos/farmacologia , Telúrio/farmacologia , Animais , Derivados de Benzeno/química , Derivados de Benzeno/metabolismo , Bovinos , Linhagem Celular , Sobrevivência Celular/efeitos dos fármacos , Células Cultivadas , Células Endoteliais/citologia , Células Endoteliais/metabolismo , Células Epiteliais/citologia , Células Epiteliais/efeitos dos fármacos , Células Epiteliais/metabolismo , Fibroblastos/citologia , Fibroblastos/efeitos dos fármacos , Fibroblastos/metabolismo , Humanos , Células LLC-PK1 , Modelos Químicos , Estrutura Molecular , Miócitos de Músculo Liso/citologia , Miócitos de Músculo Liso/efeitos dos fármacos , Miócitos de Músculo Liso/metabolismo , Compostos Organometálicos/química , Compostos Organometálicos/metabolismo , Compostos Organosselênicos/química , Compostos Organosselênicos/metabolismo , Suínos , Telúrio/química
5.
Huan Jing Ke Xue ; 42(11): 5210-5219, 2021 Nov 08.
Artigo em Chinês | MEDLINE | ID: mdl-34708960

RESUMO

Real-time BTEX(including benzene, toluene, ethylbenzene, m-, p-, and o-xylenes) were measured continuously in Tianjin urban site in July 2019 and January 2020 using a Syntech Spectras GC955 analyzer. The BTEX concentration levels, composition, and evolutionary mechanisms during typical pollution episodes were investigated. The potential sources of BTEX were analyzed qualitatively using the diagnostic ratios method. Finally, the BTEX health risk was evaluated by using the human exposure analysis and evaluation method according to US EPA. The averaged total mixing ratio of BTEX were 1.32×10-9 and 4.83×10-9 during ozone pollution and haze episodes, respectively. Benzene was the most abundant species, followed by toluene. The mixing ratio of BTEX was largely affected by short southwestern distance transportation in January, while local emissions in July. In addition, the BTEX mixing ratio depended on the influence of temperature and relative humidity(RH) in July, while the concentration was more sensitive to changes in RH when the temperature was low in January. Diagnostic ratios and source implications suggested that the BTEX was affected mainly by biomass/biofuel/coal burning during haze episodes. The traffic related emissions also had an impact except for the influence of biomass/biofuel/coal burning in July. The averaged hazard quotient(HQ) values were 0.072 and 0.29 during ozone pollution and haze episodes, respectively, which were in the upper safety range limit recommended by the US EPA. The carcinogenic risk posed by benzene in both cleaning and pollution processes was higher than the safety threshold set by the US EPA, which should be monitored carefully.


Assuntos
Poluentes Atmosféricos , Poluentes Atmosféricos/análise , Poluentes Atmosféricos/toxicidade , Benzeno/análise , Benzeno/toxicidade , Derivados de Benzeno/análise , Derivados de Benzeno/toxicidade , Monitoramento Ambiental , Humanos , Medição de Risco , Tolueno/análise , Tolueno/toxicidade , Xilenos
6.
Eur J Pharm Sci ; 167: 106011, 2021 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-34537375

RESUMO

The aim of this study was to evaluate the in vitro antifungal action of a diphenyl diselenide-loaded poly(ε-caprolactone) nanocapsules suspension (NC-1) and incorporate it into a gellan gum hydrogel formulation in order to assess its in vivo efficacy in an animal model of vulvovaginal candidiasis. Nanocapsules suspensions containing the compound (NC-1 ∼ 5 mg/mL) or not (NC-B) were prepared by the interfacial deposition of preformed polymer method. To estimate in vitro antifungal effect, the broth microdilution test was applied. The results showed that NC-1 had equal or lower MIC values when compared to free compound against fifteen Candida strains. Following, the hydrogel was prepared by direct thickening of the nanocapsules suspension by gellan gum addition. The animal model of vulvovaginal candidiasis was induced by infecting female Swiss mice with Candida albicans strains. The animals were topically treated with 20 µL of hydrogels (NC-1 and free compound - 0.1 mg of diphenyl diselenide/once a day for seven days) and then the total fungal burden was assessed after the euthanasia. The results showed that the hydrogels presented pH in the acidic range, compound content close to theoretical value, homogeneous particle distribution with nanometric size, high physicochemical and microbiological stability as well as great bioadhesive property. The nano-based presented superior pharmacological action in comparison to the hydrogel containing non-encapsulated diphenyl diselenide. The results demonstrated that the nanoencapsulation maintained the effective antifungal action of diphenyl diselenide. The nano-based hydrogel formulation may be considered a promising approach against vulvovaginal candidiasis.


Assuntos
Candidíase Vulvovaginal , Nanocápsulas , Animais , Antifúngicos/uso terapêutico , Derivados de Benzeno , Candida , Candidíase Vulvovaginal/tratamento farmacológico , Feminino , Humanos , Hidrogéis/uso terapêutico , Camundongos , Nanocápsulas/uso terapêutico , Compostos Organosselênicos , Polissacarídeos Bacterianos
7.
Chemistry ; 27(65): 16219-16224, 2021 Nov 22.
Artigo em Inglês | MEDLINE | ID: mdl-34529291

RESUMO

A facile synthesis of 4H-benzo[d][1,3]oxazin-4-one derivatives by Pd-catalyzed carbonylative cross-coupling between N-(ortho-bromoaryl)amides and benzene-1,3,5-triyl triformate (TFBen) was developed. This procedure does not require the toxic and flammable gas CO as the carbonyl source and tolerates a wide scope of functional groups. Remarkably, 4H-benzo[d][1,3]oxazin-4-ones incorporated to natural products and drugs can be constructed by this method.


Assuntos
Benzeno , Paládio , Amidas , Derivados de Benzeno , Formiatos
8.
Molecules ; 26(17)2021 Sep 04.
Artigo em Inglês | MEDLINE | ID: mdl-34500814

RESUMO

The investigation of the constituents of the rhizomes of Dioscorea collettii afforded one new dihydroisocoumarin, named (-)-montroumarin (1a), along with five known compounds-montroumarin (1b), 1,1'-oxybis(2,4-di-tert-butylbenzene) (2), (3R)-3'-O-methylviolanone (3a), (3S)-3'-O-methylviolanone (3b), and (RS)-sativanone (4). Their structures were elucidated using extensive spectroscopic methods. To the best of our knowledge, compound 1a is a new enantiomer of compound 1b. The NMR data of compound 2 had been reported but its structure was erroneous. The structure of compound 2 was revised on the basis of a reinterpretation of its NMR data (1D and 2D) and the assignment of the 1H and 13C NMR data was given rightly for the first time. Compounds 3a-4, three dihydroisoflavones, were reported from the Dioscoreaceae family for the first time. The cytotoxic activities of all the compounds were tested against the NCI-H460 cell line. Two dihydroisocoumarins, compounds 1a and 1b, displayed moderate cytotoxic activities, while the other compounds showed no cytotoxicity.


Assuntos
Cumarínicos/química , Dioscorea/química , Isoflavonas/química , Rizoma/química , Derivados de Benzeno/química , Linhagem Celular Tumoral , Cumarínicos/toxicidade , Humanos , Isoflavonas/toxicidade , Extratos Vegetais/química
9.
Talanta ; 235: 122781, 2021 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-34517639

RESUMO

Benzene derivatives (BDs) constitute a class of environmental pollutants whose exposure poses a grave risk to human health. These compounds rapidly diffuse from the atmosphere to the marine ecosystem: for this reason, their monitoring in seawater is every day more compelling. In this work, nanoconfined liquid phase nanoextraction (NLPNE), a versatile extraction technique recently described, has been for the first time applied to the gas chromatographic mass spectrometry (GC/MS) analysis of BDs in seawater. Ex-situ and in-situ NLPNE procedures have been developed and optimized in terms of extraction capabilities, analysis time, precision, and accuracy. Compared to the traditional extraction procedures, based on solid-phase microextraction (SPME) and liquid-liquid extraction (LLE), the proposed NLPNE methods allowed a rapid on-site analysis of benzene compounds with low solvent consumption, higher enrichment factors, and improved automation grade. Determination coefficients ranging from 0.9929 to 0.9997 were obtained for all BDs in the range 0.10-500 ng mL-1 and 5.00-500 ng mL-1, for ex-situ and in-situ NLPNE, respectively. Ex-situ and in-situ limits of detection ranged from 0.2 to 7.6 ng mL-1 and 0.04-1.00 ng mL-1. Our results suggest that NLPNE coupled to GC-MS can be considered a powerful technique for high-throughput analyses of trace compounds in environmental, food and biological samples.


Assuntos
Derivados de Benzeno , Poluentes Químicos da Água , Derivados de Benzeno/análise , Ecossistema , Cromatografia Gasosa-Espectrometria de Massas , Humanos , Água do Mar , Poluentes Químicos da Água/análise
10.
Anal Chim Acta ; 1179: 338835, 2021 Sep 22.
Artigo em Inglês | MEDLINE | ID: mdl-34535252

RESUMO

Although electron impact ionization (EI) remains the standard ionization source for GC-MS, it presents extensive fragmentation as its main limitation. The potential of a novel plasma-based soft ionization source named controlled-atmosphere flexible microtube plasma (CA-FµTP) has been evaluated in this work for the determination of monoaromatic volatile BTEX group (namely benzene, toluene, ethylbenzene, and o-, m- and p-xylenes) in olive oil, based on headspace technique. The obtained results show an attractive advantage over EI due to no fragmentation was observed. A nitrosated ion [M + NO]+ is obtained as the most abundant species. Thus, the BTEX mass spectrum identification can be carried out without major effort. In general, the sensitivity for CA-FµTP was comparable to those obtained by EI, achieving LODs ranged from 0.6 to 1.0 µg kg-1. The potential usefulness of GC-CA-FµTP-MS for the detection of BTEX was demonstrated by analyzing olive oil samples and identifying traces of these compounds in one sample. Therefore, the proposed plasma-based soft ionization is suitable for BTEX analysis in fatty complex matrixes as olive oil.


Assuntos
Derivados de Benzeno , Xilenos , Atmosfera , Benzeno/análise , Derivados de Benzeno/análise , Cromatografia Gasosa-Espectrometria de Massas , Espectrometria de Massas , Azeite de Oliva , Tolueno/análise , Xilenos/análise
11.
Biosensors (Basel) ; 11(9)2021 Sep 07.
Artigo em Inglês | MEDLINE | ID: mdl-34562911

RESUMO

An electrochemical sensor based on electrochemically reduced graphene oxide (ErGO), carboxylated carbon nanotubes (cMWCNT), and gold nanoparticles (AuNPs) (GCE/ErGO-cMWCNT/AuNPs) was developed for the simultaneous detection of dihidroxybenzen isomers (DHB) hydroquinone (HQ), catechol (CC), and resorcinol (RS) using differential pulse voltammetry (DPV). The fabrication and optimization of the system were evaluated with Raman Spectroscopy, SEM, cyclic voltammetry, and DPV. Under optimized conditions, the GCE/ErGO-cMWCNT/AuNPs sensor exhibited a linear concentration range of 1.2-170 µM for HQ and CC, and 2.4-400 µM for RS with a detection limit of 0.39 µM, 0.54 µM, and 0.61 µM, respectively. When evaluated in tap water and skin-lightening cream, DHB multianalyte detection showed an average recovery rate of 107.11% and 102.56%, respectively. The performance was attributed to the synergistic effects of the 3D network formed by the strong π-π stacking interaction between ErGO and cMWCNT, combined with the active catalytic sites of AuNPs. Additionally, the cMWCNT provided improved electrocatalytic properties associated with the carboxyl groups that facilitate the adsorption of the DHB and the greater amount of active edge planes. The proposed GCE/ErGO-cMWCNT/AuNPs sensor showed a great potential for the simultaneous, precise, and easy-to-handle detection of DHB in complex samples with high sensitivity.


Assuntos
Derivados de Benzeno/análise , Monitoramento Ambiental , Grafite/química , Nanotubos de Carbono/química , Catálise , Catecóis , Técnicas Eletroquímicas , Eletrodos , Ouro , Hidroquinonas , Limite de Detecção , Nanopartículas Metálicas , Nanocompostos , Óxidos
12.
Cells ; 10(8)2021 08 20.
Artigo em Inglês | MEDLINE | ID: mdl-34440916

RESUMO

Defects in mitochondrial dynamics, fission, fusion, and motility have been implicated in the pathogenesis of multiple neurodegenerative diseases, including Parkinson's disease, Alzheimer's disease, Huntington's disease, and Charcot-Marie-Tooth disease. Another key feature of neurodegeneration is the increase in reactive oxygen species (ROS). Previous work has shown that the cytoskeleton, in particular the microtubules, and ROS generated by rotenone significantly regulate mitochondrial dynamics in Dictyostelium discoideum. The goal of this project is to study the effects of ROS on mitochondrial dynamics within our model organism D. discoideum to further understand the underlying issues that are the root of neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease. We chose three likely ROS inducers, cumene hydroperoxide, hydroxylamine hydrochloride, and Antimycin A. Our work demonstrates that alteration of the microtubule cytoskeleton is not required to alter dynamics in response to ROS and there is no easy way to predict how mitochondrial dynamics will be altered based on which ROS generator is used. This research contributes to the better understanding of the cellular mechanisms that induce the pathogenesis of incurable neurodegenerative diseases with the hope that it will translate into developing new and more effective treatments for patients afflicted by them.


Assuntos
Citoesqueleto/metabolismo , Dictyostelium/metabolismo , Microtúbulos/metabolismo , Mitocôndrias/metabolismo , Dinâmica Mitocondrial , Espécies Reativas de Oxigênio/metabolismo , Doença de Alzheimer/metabolismo , Antimicina A/farmacologia , Derivados de Benzeno/farmacologia , Doença de Charcot-Marie-Tooth/metabolismo , Citoesqueleto/efeitos dos fármacos , Dictyostelium/citologia , Dictyostelium/efeitos dos fármacos , Humanos , Doença de Huntington/metabolismo , Hidroxilamina/farmacologia , Microtúbulos/efeitos dos fármacos , Mitocôndrias/efeitos dos fármacos , Modelos Biológicos , Doença de Parkinson/metabolismo
13.
Environ Pollut ; 285: 117678, 2021 Sep 15.
Artigo em Inglês | MEDLINE | ID: mdl-34380234

RESUMO

Toluene/o-Xylene Monooxygenase (ToMO) is equipped with a broad spectrum of aromatic substrate specificity (such as BTEX; benzene, toluene, ethylbenzene, and isomers of xylenes). TOMO has can hydroxylate more than a single position of aromatic rings in two consecutive monooxygenation reactions. Catechol 1,2-dioxygenase (C1,2D) is an iron-containing enzyme able to cleave the ring of catechol (the converted product from ToMO) for complete detoxification of BTEX. In this study, cold-active ToMO and C1,2D were produced using newly isolated psychrophilic Pseudomonas S2TR-14 in the minimal salt medium supplemented with crustacean waste and different concentrations of used motor oil (0.2-2% (v/v)). Crude ToMO and C1,2D were immobilized into micro/nano biochar-chitosan matrices and used for BTEX biodegradation. The results showed that the highest enzyme production (12 U/mg for ToMO and 22 U/mg for C1,2D) was achieved at the presence of 0.5% v/v used motor oil compared to the control group without motor oil (0.07 and 0.06 U/mg). High immobilization yield was achieved due to covalent bonding of ToMO (92.26% for micro matrix and 77.20% for nano matrix) and C1,2D (87.57% for micro matrix and 74.79% for nano matrix) with matrices. FTIR spectra confirmed the immobilization of enzymes on the surface of microbiochar and nanobiochar-chitosan matrices as proper support. The immobilization increased the storage stability of the enzymes with more than 50% residual activity after 30 days at 4 ± 1 °C, while the free form of enzymes had less than 10% of its activity. Immobilized enzymes degraded more than 80% of BTEX (~200 mg/L in groundwater and ~10,000 mg/kg in soil) at 10 ± 1 °C in groundwater and soil. Therefore, integrated use of microbiochar and nanobiochar with chitosan for co-immobilization of ToMO and C1,2D can be a potential way to remove petroleum hydrocarbons with higher efficiency from contaminated groundwater and soil.


Assuntos
Pseudomonas , Xilenos , Benzeno , Derivados de Benzeno , Biodegradação Ambiental , Tolueno
14.
Chem Pharm Bull (Tokyo) ; 69(8): 707-716, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34334514

RESUMO

This account summarizes the development of a benzyne-mediated cyclization/functionalization protocol for the versatile construction of highly substituted benzene derivatives fused with an N-heterocyclic ring such as indolines, indoles, and related nitrogen-containing heterocycles. The protocol comprises sequential reactions initiated by generating a benzyne species and subsequent cyclization via addition of magnesium amide to the benzyne, followed by trapping of the resultant magnesium compound in situ with various electrophiles. The substituent scope was expanded by conducting a transmetalation on a copper species to introduce alkyl, aryl, and alkenyl substituents. The utility of the sequential reaction was demonstrated in the synthesis of a carbazole natural product (heptaphylline), pyrrolo[4,3,2-de]quinoline alkaloids (batzellines), and pyrrolo[2,3-c]carbazole alkaloids (dictyodendrines).


Assuntos
Derivados de Benzeno/química , Produtos Biológicos/síntese química , Compostos Heterocíclicos/química , Produtos Biológicos/química , Ciclização , Estrutura Molecular
15.
Sci Total Environ ; 799: 149383, 2021 Dec 10.
Artigo em Inglês | MEDLINE | ID: mdl-34371398

RESUMO

Sodium dodecylbenzene sulfonate (SDBS), a typical surfactant being widely used in various applications, was highly accumulated in waste activated sludge. To date, however, its effect on hydrogen production from dark fermentation of sludge has not been documented. The work therefore aimed to explore whether and how SDBS affects hydrogen production. Experimental results showed that with an increase of SDBS from 0 to 30 mg/g TSS, the maximal hydrogen yield increased from 2.47 to 10.73 mL/g VSS (without any treatment) and from 13.05 to 23.51 mL/g VSS (under free ammonia pretreatment). Mechanism exploration showed that SDBS lowered surface tension, facilitated organics transfer from solid to liquid. SDBS also destroyed hydrogen bonding networks of protein, promoted macromolecular organics degradation. Besides, SDBS improved the electric charge in organics, then weakened the mutual repulsion, improved adsorb, interact and promoted the availability of reaction sites between anaerobes and organic substances. Enzyme activity analysis showed that SDBS not only improved the activities of enzymes related to hydrolysis and acidification processes, but also inhibited the activities of homoacetogens and methanogens. SDBS presence lowered sludge ORP and created an environment which was helpful to the growth of butyric-type bacteria, thus enhanced butyric-type fermentation, which contributed hydrogen production largely. Microbial community analysis revealed that SDBS existence affected distributions of microbial populations, and increased the abundances of hydrogen producing microorganisms (e.g., unclassified_f_Synergistaceae). PICRUSt2 analysis showed that SDBS reduced hydrogenotrophic methanogens activity for its inhibitory effect on the biotransformation of 5,10-Methenyl-THMPT to 5-methyl-THMPT.


Assuntos
Hidrogênio , Esgotos , Derivados de Benzeno , Ácidos Graxos Voláteis , Fermentação , Concentração de Íons de Hidrogênio , Sódio
16.
Environ Pollut ; 289: 117893, 2021 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-34385133

RESUMO

Health risks of typical benzene series and halocarbons (BSHs) in a densely populated area near a large-scale chemical industrial park were investigated. Ambient and indoor air and tap water samples were collected in summer and winter; and the concentration characteristics, sources, and exposure risks of typical BSH species, including five benzene series (benzene, toluene, ethylbenzene, o-xylene, m,p-xylene) and five halocarbons (dichloromethane, trichloromethane, trichloroethylene, tetrachloromethane, and tetrachloroethylene), were analysed. The total mean concentrations of BSHs were 53.32 µg m-3, 36.29 µg m-3, and 26.88 µg L-1 in indoor air, ambient air, and tap water, respectively. Halocarbons dominated the total BSHs with concentrations relatively higher than those in many other industrial areas. Industrial solvent use, industrial processes, and vehicle exhaust emissions were the principal sources of BSHs in ambient air. The use of household products (e.g., detergents and pesticides) was the principal source of indoor BSHs. Inhalation is the primary human exposure route. Ingestion of drinking water was also an important exposure route but had less impact than inhalation. Lifetime non-cancer risks of individual and cumulative BSHs were below the threshold (HQ = 1), indicating no significant lifetime non-cancer risks in the study area. However, tetrachloromethane, benzene, trichloromethane, ethylbenzene, and trichloroethylene showed potential lifetime cancer risk. The cumulative lifetime cancer risks exceeded the tolerable benchmark (1 × 10-4), indicating a lifetime cancer risk of BSHs to residents near the chemical industry park. This study provides valuable information for the management of public health in chemical industrial parks.


Assuntos
Poluentes Atmosféricos , Benzeno , Poluentes Atmosféricos/análise , Benzeno/análise , Derivados de Benzeno/análise , Monitoramento Ambiental , Humanos , Tolueno/análise , Emissões de Veículos/análise
17.
Clin Ther ; 43(8): 1371-1380, 2021 08.
Artigo em Inglês | MEDLINE | ID: mdl-34246485

RESUMO

PURPOSE: Tegoprazan is a potassium-competitive acid blocker (P-CAB) that is designed to treat acid-related diseases through a fundamentally different mechanism than that of proton pump inhibitors (PPIs). Because PPIs inhibit only activated parietal cell H+/K+ adenosine triphosphatase, stimulation of parietal cells by a meal is necessary for optimal results. In contrast, P-CABs can inactivate proton pumps without acid activation and bind to both activated and inactivated adenosine triphosphatase. This study evaluates the effect of food consumption on the pharmacokinetic and pharmacodynamic properties of tegoprazan after a single oral dose in healthy men. METHODS: In this open-label, 2-period crossover study, 24 healthy men were randomized to 1 of 2 treatment sequence groups: administration of tegoprazan under the fasting condition and administration of tegoprazan under the fed condition. The dosing periods of both sequence groups were separated by a washout period of 7 days. At each dosing period, the participants received a single dose of 200 mg of tegoprazan followed by pharmacokinetic and pharmacodynamic analysis. FINDINGS: After the oral administration of 200 mg tegoprazan, the Cmax was decreased and delayed under the fed condition compared with that of the fasting condition. However, no significant differences were observed in the AUC and the time of gastric acid suppression (inhibition of integrated acidity) during 24 hours. IMPLICATIONS: The pharmacokinetic and pharmacodynamic properties of tegoprazan are independent of food effect; thus, tegoprazan could be administered regardless of the timing of food consumption in patients. ClinicalTrials.gov identifier: NCT01830309.


Assuntos
Derivados de Benzeno , Imidazóis , Administração Oral , Área Sob a Curva , Estudos Cross-Over , Interações Alimento-Droga , Ácido Gástrico , Humanos , Masculino
18.
Environ Res ; 200: 111745, 2021 09.
Artigo em Inglês | MEDLINE | ID: mdl-34303681

RESUMO

This study focused on the measurement of BTEX (benzene, toluene, ethylbenzene and xylene) concentrations in the air of various regions and indoor-outdoor environments in Bandar Abbas, Iran. Air samples were taken actively and analyzed by gas chromatography-mass spectrometry (GC-MS) during two one-month periods i.e., Feb 2020 (period I) and Sep/Oct 2020 (period II). The mean air temperature and the levels of all BTEX compounds were higher in period II. The highest total BTEX (t-BTEX) levels (median [min-max]) were found in the urban region (18.00 [5.21-67.24] µg m-3), followed by industrial region (7.00 [2.05-14.76] µg m-3) and rural region (2.81 [ND-7.38] µg m-3). The significant positive correlations between all BTEX compounds and T/B ratio >1 indicated the vehicular traffic as the main source of emission. At 95th percentile probability, the non-cancer risk of t-BTEX in urban region was only less than one order of magnitude below the threshold level of unity (1.91E-01) and the cancer risk of benzene exceeded the recommended level of 1.0E-06 by U.S. EPA in urban (7.69E-06) and industrial (2.97E-06) regions. It was found that the indoor/outdoor ratio of BTEX concentration in beauty salon and hospital was greater than 1. Overall, the current levels of BTEX in the ambient air of study area, especially near urban roadside and in some indoor environments, should not be overlooked and appropriate mitigation actions should be undertaken.


Assuntos
Poluentes Atmosféricos , Poluição do Ar em Ambientes Fechados , Poluentes Atmosféricos/análise , Poluição do Ar em Ambientes Fechados/análise , Benzeno/análise , Derivados de Benzeno/análise , Monitoramento Ambiental , Irã (Geográfico) , Medição de Risco , Tolueno/análise
19.
Int J Mol Sci ; 22(14)2021 Jul 17.
Artigo em Inglês | MEDLINE | ID: mdl-34299276

RESUMO

1-cyclohexyl-x-methoxybenzene is a novel psychoactive substance (NPS), first discovered in Europe in 2012 as unknown racemic mixture of its three stereoisomers: ortho, meta and para. Each of these has structural similarities with the analgesic tramadol and the dissociative anesthetic phencyclidine. In light of these structural analogies, and based on the fact that both tramadol and phencyclidine are substances that cause toxic effects in humans, the aim of this study was to investigate the in vitro and in vivo pharmacodynamic profile of these molecules, and to compare them with those caused by tramadol and phencyclidine. In vitro studies demonstrated that tramadol, ortho, meta and para were inactive at mu, kappa and delta opioid receptors. Systemic administration of the three stereoisomers impairs sensorimotor responses, modulates spontaneous motor activity, induces modest analgesia, and alters thermoregulation and cardiorespiratory responses in the mouse in some cases, with a similar profile to that of tramadol and phencyclidine. Naloxone partially prevents only the visual sensorimotor impairments caused by three stereoisomers, without preventing other effects. The present data show that 1-cyclohexyl-x-methoxybenzene derivatives cause pharmaco-toxicological effects by activating both opioid and non-opioid mechanisms and suggest that their use could potentially lead to abuse and bodily harm.


Assuntos
Analgésicos Opioides/toxicidade , Anisóis/toxicidade , Derivados de Benzeno/toxicidade , Alucinógenos/toxicidade , Fenciclidina/toxicidade , Psicotrópicos/toxicidade , Receptores Opioides/metabolismo , Tramadol/toxicidade , Analgésicos Opioides/química , Animais , Anisóis/química , Derivados de Benzeno/química , Células Cultivadas , Cricetinae , Alucinógenos/química , Técnicas In Vitro , Masculino , Camundongos , Camundongos Endogâmicos ICR , Modelos Animais , Fenciclidina/química , Psicotrópicos/química , Tramadol/química
20.
Molecules ; 26(12)2021 Jun 14.
Artigo em Inglês | MEDLINE | ID: mdl-34198585

RESUMO

The present investigation informs a descriptive study of 1-(4-Hydroxyphenyl) -3-phenylprop-2-en-1-one compound, by using density functional theory at B3LYP method with 6-311G** basis set. The oxygen atoms and π-system revealed a high chemical reactivity for the title compound as electron donor spots and active sites for an electrophilic attack. Quantum chemical parameters such as hardness (η), softness (S), electronegativity (χ), and electrophilicity (ω) were yielded as descriptors for the molecule's chemical behavior. The optimized molecular structure was obtained, and the experimental data were matched with geometrical analysis values describing the molecule's stable structure. The computed FT-IR and Raman vibrational frequencies were in good agreement with those observed experimentally. In a molecular docking study, the inhibitory potential of the studied molecule was evaluated against the penicillin-binding proteins of Staphylococcus aureus bacteria. The carbonyl group in the molecule was shown to play a significant role in antibacterial activity, four bonds were formed by the carbonyl group with the key protein of the bacteria (three favorable hydrogen bonds plus one van der Waals bond) out of six interactions. The strong antibacterial activity was also indicated by the calculated high binding energy (-7.40 kcal/mol).


Assuntos
Antibacterianos/química , Antibacterianos/farmacologia , Derivados de Benzeno/química , Derivados de Benzeno/farmacologia , Cetonas/química , Cetonas/farmacologia , Alcenos/química , Alcenos/farmacologia , Domínio Catalítico , Teoria da Densidade Funcional , Modelos Moleculares , Simulação de Acoplamento Molecular , Teoria Quântica , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Análise Espectral Raman/métodos , Eletricidade Estática
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