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1.
Proc Natl Acad Sci U S A ; 119(52): e2211406119, 2022 12 27.
Artigo em Inglês | MEDLINE | ID: mdl-36534806

RESUMO

Surface-enhanced Raman spectroscopy (SERS) holds exceptional promise as a streamlined chemical detection strategy for biological and environmental contaminants compared with current laboratory methods. Priority pollutants such as polycyclic aromatic hydrocarbons (PAHs), detectable in water and soil worldwide and known to induce multiple adverse health effects upon human exposure, are typically found in multicomponent mixtures. By combining the molecular fingerprinting capabilities of SERS with the signal separation and detection capabilities of machine learning (ML), we examine whether individual PAHs can be identified through an analysis of the SERS spectra of multicomponent PAH mixtures. We have developed an unsupervised ML method we call Characteristic Peak Extraction, a dimensionality reduction algorithm that extracts characteristic SERS peaks based on counts of detected peaks of the mixture. By analyzing the SERS spectra of two-component and four-component PAH mixtures where the concentration ratios of the various components vary, this algorithm is able to extract the spectra of each unknown component in the mixture of unknowns, which is then subsequently identified against a SERS spectral library of PAHs. Combining the molecular fingerprinting capabilities of SERS with the signal separation and detection capabilities of ML, this effort is a step toward the computational demixing of unknown chemical components occurring in complex multicomponent mixtures.


Assuntos
Poluentes Ambientais , Hidrocarbonetos Policíclicos Aromáticos , Humanos , Hidrocarbonetos Policíclicos Aromáticos/análise , Análise Espectral Raman/métodos , Água , Poluentes Ambientais/análise , Misturas Complexas , Aprendizado de Máquina
2.
J Proteome Res ; 23(7): 2315-2322, 2024 Jul 05.
Artigo em Inglês | MEDLINE | ID: mdl-38913967

RESUMO

Native top-down mass spectrometry (nTDMS) allows characterization of protein structure and noncovalent interactions with simultaneous sequence mapping and proteoform characterization. The majority of nTDMS studies utilize purified recombinant proteins, with significant challenges hindering application to endogenous systems. To perform native top-down proteomics (nTDP), where endogenous proteins from complex biological systems are analyzed by nTDMS, it is essential to separate proteins under nondenaturing conditions. However, it remains difficult to achieve high resolution with MS-compatible online chromatography while preserving protein tertiary structure and noncovalent interactions. Herein, we report the use of online mixed-bed ion exchange chromatography (IEC) to enable separation of endogenous proteins from complex mixtures under nondenaturing conditions, preserving noncovalent interactions for nTDP analysis. We have successfully detected large proteins (>146 kDa) and identified endogenous metal-binding and oligomeric protein complexes in human heart tissue lysate. The use of a mixed-bed stationary phase allowed retention and elution of proteins over a wide range of isoelectric points without altering the sample or mobile phase pH. Overall, our method provides a simple online IEC-MS platform that can effectively separate proteins from complex mixtures under nondenaturing conditions and preserve higher-order structure for nTDP applications.


Assuntos
Proteômica , Cromatografia por Troca Iônica/métodos , Humanos , Proteômica/métodos , Miocárdio/química , Espectrometria de Massas/métodos , Misturas Complexas/química , Proteínas/química , Proteínas/análise , Proteínas/isolamento & purificação
3.
Anal Chem ; 96(4): 1668-1677, 2024 01 30.
Artigo em Inglês | MEDLINE | ID: mdl-38226847

RESUMO

A new matrix framework is presented in this study for the improved ionization efficiency of complex mixtures by matrix-assisted laser desorption ionization (MALDI) mass spectrometry/imaging. Five nitro indole (NI) derivatives [3-methyl-4-nitro-1H-indole (3,4-MNI), 3-methyl-6-nitro-1H-indole (3,6-MNI), 2,3-dimethyl-4-nitro-1H-indole (2,3,4-DMNI), 2,3-dimethyl-6-nitro-1H-indole (2,3,6-DMNI), and 4-nitro-1H-indole (4-NI)] were synthesized and shown to produce both positive and negative ions with a broad class of analytes as MALDI matrices. NI matrices were compared to several common matrices, such as 2,5-dihydroxybenzoic acid (DHB), alpha-cyano-4-hydroxylcinnamic acid (CHCA), sinapinic acid (SA), 1,5-diaminonaphthelene (1,5-DAN), and 9-aminoacridine (9-AA), for the analysis of lipid, peptide, protein, glycan, and perfluorooctanesulfonic acid (PFOS) compounds. 3,4-MNI demonstrated the best performance among the NI matrices. This matrix resulted in reduced ion suppression and better detection sensitivity for complex mixtures, for example, egg lipids/milk proteins/PFOS in tap water, while 2,3,6-DMNI was the best matrix for blueberry tissue imaging. Several important aspects of this work are reported: (1) dual-polarity ion production with NI matrices and complex mixtures; (2) quantitative analysis of PFOS with a LOQ of 0.5 ppb in tap water and 0.05 ppb in MQ water (without solid phase extraction enrichment), with accuracy and precision within 5%; (3) MALDI imaging with 2,3,6-DMNI as a matrix for plant metabolite/lipid identification with ionization enhancement in the negative ion mode m/z 600-900 region; and (4) development of a thin film deposition under/above tissue method for MALDI imaging with a vacuum sublimation matrix on a high-vacuum MALDI instrument.


Assuntos
Ácidos Alcanossulfônicos , Fluorocarbonos , Indóis , Lipídeos , Espectrometria de Massas por Ionização e Dessorção a Laser Assistida por Matriz/métodos , Lipídeos/análise , Misturas Complexas , Água
4.
Microb Pathog ; 189: 106573, 2024 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-38354989

RESUMO

The substantial increase of infections, caused by novel, sudden, and drug-resistant pathogens, poses a significant threat to human health. While numerous studies have demonstrated the antibacterial and antiviral effects of Traditional Chinese Medicine, the potential of a complex mixture of traditional Chinese Medicine with a broad-spectrum antimicrobial property remains underexplored. This study aimed to develop a complex mixture of Traditional Chinese Medicine (TCM), JY-1, and investigate its antimicrobial properties, along with its potential mechanism of action against pathogenic microorganisms. Antimicrobial activity was assessed using a zone of inhibition assay and the drop plate method. Hyphal induction of Candida albicans was conducted using RPMI1640 medium containing 10% FBS, followed by microscopic visualization. Quantitative real-time PCR (RT-qPCR) was employed to quantify the transcript levels of hyphal-specific genes such as HWP1 and ALS3. The impact of JY-1 on biofilm formation was evaluated using both the XTT reduction assay and scanning electron microscopy (SEM). Furthermore, the cell membrane integrity was assessed by protein and nucleic acid leakage assays. Our results clearly showed that JY-1 significantly inhibits the vegetative growth of Candida spp. and Cryptococcus spp. In addition, this complex mixture is effectively against a wide range of pathogenic bacteria, including Staphylococcus aureus, Vancomycin-resistant enterococci, Escherichia coli, Klebsiella pneumoniae and Enterobacter cloacae. More interestingly, JY-1 plays a direct anti-viral role against the mammalian viral pathogen vesicular stomatitis virus (VSV). Further mechanistic studies indicate that JY-1 acts to reduce the expression of hyphal specific genes HWP1 and ALS3, resulting in the suppression of the hyphal formation of C. albicans. The antimicrobial property of JY-1 could be attributed to its ability to reduce biofilm formation and disrupt the cell membrane permeability, a process resulting in microbial cell death and the release of cellular contents. Taken together, our work identified a potent broad-spectrum antimicrobial agent, a complex mixture of TCM which might be developed as a potential antimicrobial drug.


Assuntos
Anti-Infecciosos , Medicina Tradicional Chinesa , Animais , Humanos , Permeabilidade da Membrana Celular , Biofilmes , Candida albicans , Anti-Infecciosos/farmacologia , Misturas Complexas/farmacologia , Permeabilidade , Testes de Sensibilidade Microbiana , Mamíferos
5.
Chem Rev ; 122(7): 7205-7235, 2022 04 13.
Artigo em Inglês | MEDLINE | ID: mdl-35196011

RESUMO

Crude oils are complex mixtures of organic molecules, of which asphaltenes are the heaviest component. Asphaltene precipitation and deposition have been recognized to be a significant problem in oil production, transmission, and processing facilities. These macromolecular aromatics are challenging to characterize due to their heterogeneity and complex molecular structure. Microfluidic devices are able to capture key characteristics of reservoir rocks and provide new insights into the transport, reactions, and chemical interactions governing fluids used in the oil and gas industry. Understanding the microscale phenomena has led to better design of macroscale processes used by the industry. One area that has seen significant growth is in the area of chemical analysis under flowing conditions. Microfluidics and microscale analysis have advanced the understanding of complex mixtures by providing in situ imaging that can be combined with other chemical characterization methods to give details of how oil, water, and added chemicals interface with pore-scale detail. This review article aims to showcase how microfluidic devices offer new physical, chemical, and dynamic information on the behavior of asphaltenes. Specifically, asphaltene deposition and related flow assurance problems, interfacial properties and rheology, and evaluation of remediation strategies studied in microchannels and microfluidic porous media are presented. Examples of successful applications that address key asphaltene-related problems highlight the advances of microscale systems as a tool for advancing the physicochemical characterization of complex fluids for the oil and gas industry.


Assuntos
Técnicas Analíticas Microfluídicas , Hidrocarbonetos Policíclicos Aromáticos , Misturas Complexas , Hidrocarbonetos Policíclicos Aromáticos/química , Água/química
6.
Environ Res ; 243: 117745, 2024 Feb 15.
Artigo em Inglês | MEDLINE | ID: mdl-38008205

RESUMO

Anaerobic digestion is an environmentally friendly method for reclaiming waste activated sludge. However, it cannot be overlooked that the solid residue generated from this process can still pose environmental risks and impose economic pressure on society. To mitigate and recycle the solid residue, this study utilized it as a primary raw material for manufacturing ceramsite with potential applications in wastewater treatment. The optimal ratio of solid residue to fly ash was demonstrated to be 6:4 with an additional 15% of clay supplementing the raw ceramsite materials. Furthermore, the optimal sintering process was established as preheating at 300 °C for 25 min followed by sintering at 1085 °C for 10 min, as determined through an L16 (44) Orthogonal test. The prepared ceramsite demonstrated advantageous performance parameters that exceeded the standards outlined in the Chinese industry standard CJ/T 299-2008 for water treatment artificial ceramsite. When utilized in an ozonation system, the ceramsite exhibited remarkable catalytic activity for phenol degradation by promoting the decomposition of molecular O3 into hydroxyl radicals. Additionally, it displayed minimal leaching of heavy metals and lower application costs. These findings emphasize its attractiveness in water and wastewater treatment processes and present a practical strategy for reclaiming this solid residue.


Assuntos
Misturas Complexas , Metais Pesados , Ozônio , Esgotos , Anaerobiose , Metais Pesados/análise , Cinza de Carvão , Resíduos Sólidos
7.
J Sep Sci ; 47(4): e2300811, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38403440

RESUMO

In this work, surface molecularly imprinted polymers based on magnetic multi-walled carbon nanotubes were prepared for the specific recognition and adsorption of resveratrol. The functionalization of magnetic multi-walled carbon nanotubes and the synthesis process of surface molecularly imprinted polymers were optimized. Characterizations were performed to demonstrate the successful synthesis of the imprinted materials. The imprinted materials showed satisfactory adsorption capacity of resveratrol (45.73 ± 1.72 mg/g) and excellent selectivity (imprinting factor 2.89 ± 0.15). In addition, the imprinted materials were used as adsorbents in molecularly imprinted solid-phase extraction for the purification of resveratrol from crude extracts of some food and medicinal resources, achieving recoveries of 93.69%-95.53% with high purities of 88.37%-92.33%. Moreover, the purified products exhibited extremely strong free radical scavenging activity compared with crude extracts. Overall, this work provided a promising approach for the highly selective purification of resveratrol from natural resources, which would contribute to the application of this valuable compound in the food/nutraceutical fields.


Assuntos
Fallopia japonica , Impressão Molecular , Nanotubos de Carbono , Vitis , Resveratrol , Polímeros Molecularmente Impressos , Arachis , Polímeros , Adsorção , Misturas Complexas , Fenômenos Magnéticos , Extração em Fase Sólida
8.
J Sep Sci ; 47(4): e2300770, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38403448

RESUMO

German chamomile is one of the most effective herbal elements used in anti-allergic products and as an antioxidant. Herein, the antioxidant activity of different extract fractions of German chamomile was initially evaluated using an off-line 2,2-diphenyl-1-picrylhydrazyl spectrophotometric assay. The ethyl acetate extract demonstrated the highest efficacy in scavenging free radicals. Based on this, a rapid screening and separation method using ultra-high-performance liquid chromatography combined with the 2,2-diphenyl-1-picrylhydrazyl assay was implemented to identify antioxidants in the ethyl acetate fraction of German chamomile flowers. Ten potential radical scavengers were tentatively screened from German chamomile using a target-guided isolating approach with off-line two-dimensional high-speed countercurrent chromatography and the structures of the compounds were analyzed and identified. Ultimately, 10 radical scavengers were obtained from the ethyl acetate extract with a purity quotient exceeding 90%. The results demonstrated the effectiveness and reproducibility of this method for isolating potential antioxidants from complex mixtures in a targeted manner. This strategy can be applied to the target-guided isolation of complex mixtures of natural products with broad K-values and similar structures.


Assuntos
Acetatos , Compostos de Bifenilo , Distribuição Contracorrente , Matricaria , Picratos , Distribuição Contracorrente/métodos , Extratos Vegetais/química , Antioxidantes/análise , Espectrometria de Massa com Cromatografia Líquida , Reprodutibilidade dos Testes , Misturas Complexas , Cromatografia Líquida de Alta Pressão/métodos
9.
J Sep Sci ; 47(1): e2300577, 2024 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-38109069

RESUMO

Centrifugal partition chromatography in the pH-zone-refining mode was successfully applied to the separation of alkaloids from the crude extract of Corydalis decumbens. The experiment was performed with a two-phase solvent system composed of petroleum ether-ethyl acetate-ethanol-water (5:5:3:7, v/v/v/v) where triethylamine (10 mM) was added to the stationary phase and hydrochloric acid (10 mM) to the mobile phase. From 1.6 g of the crude extract, 43 mg protopine, 189 mg (+)-egenine, and 158 mg tetrahydropalmatine were obtained with a purity of 98.2%, 94.6%, and 96.7%, respectively. Tetrahydropalmatine showed an interesting anticomplement effect with CH50 0.11 and AP50 0.25 mg/mL, respectively. In a mechanistic study, tetrahydropalmatine interacted with C1, C3, C4, and C5 components in the complement activation cascade.


Assuntos
Alcaloides , Proteínas Inativadoras do Complemento , Corydalis , Corydalis/química , Distribuição Contracorrente/métodos , Alcaloides/farmacologia , Alcaloides/química , Solventes/química , Concentração de Íons de Hidrogênio , Misturas Complexas , Cromatografia Líquida de Alta Pressão
10.
Curr Microbiol ; 81(7): 183, 2024 May 21.
Artigo em Inglês | MEDLINE | ID: mdl-38771359

RESUMO

The fungus Monascus is a well-known source of secondary metabolites with interesting pharmaceutical and nutraceutical applications. In particular, Monascus pigments possess a wide range of biological activities (e.g. antimicrobial, antioxidant, anti-inflammatory or antitumoral). To broaden the scope of their possible application, this study focused on testing Monascus pigment extracts as potential photosensitizing agents efficient in antimicrobial photodynamic therapy (aPDT) against bacteria. For this purpose, eight different extracts of secondary metabolites from the liquid- and solid-state fermentation of Monascus purpureus DBM 4360 and Monascus sp. DBM 4361 were tested against Gram-positive and Gram-negative model bacteria, Bacillus subtilis and Escherichia coli and further screened for ESKAPE pathogens, Staphylococcus aureus and Pseudomonas aeruginosa. To the bacterial culture, increasing concentration of extracts was added and it was found that all extracts showed varying antimicrobial activity against Gram-positive bacteria in dark, which was further increased after irradiation. Gram-negative bacteria were tolerant to the extracts' exposure in the dark but sensitivity to almost all extracts that occurred after irradiation. The Monascus sp. DBM 4361 extracts seemed to be the best potential candidate for aPDT against Gram-positive bacteria, being efficient at low doses, i.e. the lowest total concentration of Monascus pigments exhibiting aPDT effect was 3.92 ± 1.36 mg/L for E. coli. Our results indicate that Monascus spp., forming monascuspiloin as the major yellow pigment and not-forming mycotoxin citrinin, is a promising source of antimicrobials and photoantimicrobials.


Assuntos
Antibacterianos , Testes de Sensibilidade Microbiana , Monascus , Micélio , Monascus/química , Monascus/metabolismo , Antibacterianos/farmacologia , Antibacterianos/química , Micélio/química , Micélio/efeitos da radiação , Micélio/efeitos dos fármacos , Fármacos Fotossensibilizantes/farmacologia , Fármacos Fotossensibilizantes/química , Produtos Biológicos/farmacologia , Produtos Biológicos/química , Bactérias Gram-Positivas/efeitos dos fármacos , Bactérias Gram-Positivas/efeitos da radiação , Misturas Complexas/farmacologia , Misturas Complexas/química , Pigmentos Biológicos/farmacologia , Fotoquimioterapia
11.
Nucleic Acids Res ; 50(9): e50, 2022 05 20.
Artigo em Inglês | MEDLINE | ID: mdl-35104880

RESUMO

Proteins isolated from natural sources can be composed of a mixture of isoforms with similar physicochemical properties that coexist in the final steps of purification. Yet, even where unverified, the assumed sequence is enforced throughout the structural studies. Herein, we propose a novel perspective to address the usually neglected sequence heterogeneity of natural products by integrating biophysical, genetic and structural data in our program SEQUENCE SLIDER. The aim is to assess the evidence supporting chemical composition in structure determination. Locally, we interrogate the experimental map to establish which side chains are supported by the structural data, and the genetic information relating sequence conservation is integrated into this statistic. Hence, we build a constrained peptide database, containing most probable sequences to interpret mass spectrometry data (MS). In parallel, we perform MS de novo sequencing with genomic-based algorithms to detect point mutations. We calibrated SLIDER with Gallus gallus lysozyme, whose sequence is unequivocally established and numerous natural isoforms are reported. We used SLIDER to characterize a metalloproteinase and a phospholipase A2-like protein from the venom of Bothrops moojeni and a crotoxin from Crotalus durissus collilineatus. This integrated approach offers a more realistic structural descriptor to characterize macromolecules isolated from natural sources.


Assuntos
Misturas Complexas/química , Isoformas de Proteínas/análise , Software , Animais , Venenos de Crotalídeos/química , Venenos de Crotalídeos/genética , Crotalus/genética , Crotoxina/química , Crotoxina/genética , Fosfolipases A2/química
12.
Int Arch Occup Environ Health ; 97(2): 121-132, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-38110551

RESUMO

OBJECTIVE: The effect marker club cell protein (CC16) is secreted by the epithelium of the small respiratory tract into its lumen and passes into the blood. Increased amounts of CC16 in serum are observed during acute epithelial lung injury due to air pollutants. CC16 in serum was determined as part of this cross-sectional study in underground potash miners on acute and chronic health effects from exposures to diesel exhaust and blasting fumes. METHODS: Nitrogen oxides, carbon monoxide, and diesel particulate matter were measured in 672 workers at a German potash mining site on a person-by-person basis over an early shift or midday shift, together with CC16 serum concentrations before and after the respective shift. CC16 concentrations and CC16 shift-differences were evaluated with respect to personal exposure measurements and other quantitative variables by Spearman rank correlation coefficients. CC16 shift-differences were modeled using multiple linear regression. Above-ground workers as reference group were compared to the exposed underground workers. RESULTS: Serum concentrations of CC16 were influenced by personal characteristics such as age, smoking status, and renal function. Moreover, they showed a circadian rhythm. While no statistically significant effects of work-related exposure on CC16 concentrations were seen in never smokers, such effects were evident in current smokers. CONCLUSION: The small airways of current smokers appeared to be vulnerable to the combination of measured work-related exposures and individual exposure to smoking. Therefore, as health protection of smokers exposed to diesel exhaust and blasting fumes, smoking cessation is strongly recommended.


Assuntos
Misturas Complexas , Exposição Ocupacional , Emissões de Veículos , Humanos , Estudos Transversais , Mineração , Exposição Ocupacional/efeitos adversos , Sistema Respiratório
13.
Lett Appl Microbiol ; 77(3)2024 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-38467396

RESUMO

Endophytic microorganisms associated with medicinal plants are of particular interest as they are a potential source of new bioactive chemicals effective against novel emerging and drug-resistant pathogens. Agave americana is a tropical medicinal plant with antibacterial, antifungal, and anticancer properties. We studied the biodiversity of fungal endophytes of A. americana and their antimicrobial production potential. Isolated endophytic fungi were classified into 32 morphotypes (15 from stem and 17 from leaf) based on their cultural and morphological characteristics. Among the fungal crude extracts tested, 82% of isolates from the leaves and 80% of the isolates from the stem showed antibacterial activity against the bacterial strains (Escherichia coli ATTC 25902, Staphylococcus aureus ATTC 14775, and Bacillus subtilis NRRL 5109) tested. Extracts from four fungal isolates from leaves showed antifungal activity against at least one of the fungal strains (Candida albicans ATTC 10231 and Aspergillus fumigatus NRRL 5109) tested. Crude extracts of seven fungal isolates showed a zone of inhibition of more than 11 mm at 10 mgml-1 against both Gram-positive and Gram-negative bacteria tested. Penicillium, Colletotrichum, Curvularia, Pleosporales, Dothideomycetes, and Pleurotus are the main endophytes responsible for bioactive potential. These results indicate that A. americana harbors endophytes capable of producing antimicrobial metabolites.


Assuntos
Agave , Anti-Infecciosos , Ascomicetos , Plantas Medicinais , Antifúngicos/farmacologia , Antifúngicos/metabolismo , Antibacterianos/farmacologia , Plantas Medicinais/microbiologia , Bactérias Gram-Negativas , Testes de Sensibilidade Microbiana , Bactérias Gram-Positivas , Fungos , Anti-Infecciosos/farmacologia , Anti-Infecciosos/metabolismo , Endófitos , Misturas Complexas/metabolismo , Misturas Complexas/farmacologia
14.
Mar Drugs ; 22(3)2024 Feb 28.
Artigo em Inglês | MEDLINE | ID: mdl-38535453

RESUMO

Brown seaweeds are attracting attention due to their richness in bioactive compounds, in particular, their phlorotannins. We present here a case study of two Fucales, Ascophyllum nodosum and Halidrys siliquosa, sustainably collected, to produce active polyphenols for the cosmetics sector. Phenolic contents of crude extracts, obtained by Accelerated Solvent Extraction (ASE), were more elevated in H. siliquosa at 100.05 mg/g dry weight (DW) than in A. nodosum (29.51 mg/g DW), considering 3 cycles with cell inversion. The temperature of extraction for a high phenolic content and high associated antioxidant activities close to positive controls was 150 °C for both algae and the use of only one cycle was enough. A semi-purification process using Solid-phase Extraction (SPE) was carried out on both ASE crude extracts (one per species). The majority of phlorotannins were found in the ethanolic SPE fraction for A. nodosum and the hydroethanolic one for H. siliquosa. The SPE process allowed us to obtain more concentrated fractions of active phenolic compounds (×1.8 and 2 in A. nodosum and H. siliquosa, respectively). Results are discussed in regard to the exploitation of seaweeds in Brittany and to the research of sustainable processes to produce active natural ingredients for cosmetics.


Assuntos
Cosméticos , Alga Marinha , Antioxidantes , Etanol , Fenóis , Misturas Complexas
15.
Biomed Chromatogr ; 38(2): e5776, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-37986016

RESUMO

Pharmacology experts place a high priority on therapeutic plants because the majority of pharmaceutical firms rely on medicinal plants as raw ingredients. Therefore, the potential bioactive components using gas chromatography-mass spectrometry analysis and antioxidant effects using DPPH free radical scavenging activity of various crude fractions of Xanthium spinosum were assessed. Gas chromatography-mass spectrometry analysis showed the presence of various bioactive compounds including benzenedicarboxylic acid (18.60%), 8-octadecenoic acid (4.86%), 11-octadecenoic acid and 10-octadecenoic acid in the crude methanolic extract, 1,2-benzenedicarboxylic acid, diisooctyl ester (14.42%), 1,2-benzenedicarboxylic acid, mono (2-ethylhexyl) ester (14.42%), 6-octadecenoic acid, methyl ester (7.56%), 8-octadecenoic acid, methyl ester (7.56%), 10-octadecenoic acid, methyl ester (7.56%) and hexadecanoic acid, methyl ester (6.55%) in the n-hexane extract, ethanal, 2-methyl-2-[4-(1-methylethyl)phenyl]-(3.02%), (+)-3-carene, 4-isopropenyl-(3.02%), 7H-indeno[5,6-b] furan-7-one, 4,4a,5,6,7a,8-hexahydro- (3.02%) and 2-[5-(2,2-dimethyl-6-methylene-cyclohexyl)-3-methyl-pent-2-enyl]-[1,4] benzoquinone (2.79%) in the chloroform extract and 1,2-benzenedicarboxylic acid, mono (2-ethylhexyl) ester (33.005%), 1,2-benzenedicarboxylic acid, diisooctyl ester (33.005%) and bis(2-ethylhexyl) phthalate (33.005%) in the ethyl acetate extract. Significant DPPH radical scavenging activity was exhibited by the chloroform fraction (43.37-88.65%) at all doses followed by the crude methanolic extract (36.02-83.75%) at all doses. In conclusion, different crude fractions of X. spinosum can be considered a rich source of pharmacologically active components that can be scoped for isolation and may be subjected to in-depth pharmacological study.


Assuntos
Antioxidantes , Xanthium , Antioxidantes/análise , Clorofórmio , Misturas Complexas , Extratos Vegetais/farmacologia , Extratos Vegetais/química , Ésteres
16.
Chem Biodivers ; 21(3): e202301900, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-38282171

RESUMO

The emergence of multi-drug-resistant microbial strains spurred the search for antimicrobial agents; as a result, two distinct approaches were combined: four in vitro studies and four corresponding molecular docking investigations. Antituberculosis, anti-methicillin-resistant Staphylococcus aureus (anti-MRSA), antifungal, and larvicidal activities of the crude extract, two fractions, and seven isolated compounds from Aspergillus terreus derived from Morus alba roots were explored. The isolated compounds (5 butyrolactones and 2 orsellinic acid derivatives) showed potent to moderate antitubercular activity with MIC values ranging from 1.95 to 62.5 µg/mL (compared to isoniazid, 0.24 µg/mL) and promising anti-MRSA potential with inhibition zone diameters ranging from 8 to 25 mm. Additionally, the in silico study proved that the isolated compounds bind to the two corresponding proteins' active sites with high to moderate -(C-Docker interaction energies) and stable interactions. The isolated compounds displayed antifungal activities against different fungal strains at diverse degrees of activity, among them compound (8"S,9")-dihydroxy-dihydrobutyrolactone I eliciting the best antifungal activity. Meanwhile, all isolated compounds, fractions, and the crude extract demonstrated extremely selective potent to moderate activity against Cryptococcus neoformans. The isolated five butyrolactone derivatives could develop potential mosquito larvicidal agents as a result of promising docking outcomes in the larval enzyme carboxylesterase.


Assuntos
Anti-Infecciosos , Aspergillus , Staphylococcus aureus Resistente à Meticilina , Morus , Resorcinóis , Animais , Antifúngicos/farmacologia , Simulação de Acoplamento Molecular , Testes de Sensibilidade Microbiana , Anti-Infecciosos/farmacologia , Fungos , Misturas Complexas , Antibacterianos/farmacologia , Antibacterianos/química
17.
J Environ Manage ; 354: 120401, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-38382437

RESUMO

Aluminum (Al)-based drinking water treatment residue (DWTR) has often been attempted to be recycled as dominant ingredient to produce sintered ceramsite for water treatment. This study aimed to determine the long-term performance of DWTR-based ceramsite in treating domestic wastewater based on a 385-d biofilter test and by using physicochemical, metagenomic, and metatranscriptomic analyses. The results showed that the ceramsite-packed biofilter exhibited high and stable capability in removing phosphorus (P) and chemical oxygen demand (COD), with removal efficiencies of 92.6 ± 3.97% and 81.1 ± 14.0% for total P and COD, respectively; moreover, 88-100% of ammonium-nitrogen (N) was normally converted, and the total N removal efficiency reached 80-86% under proper aeration. Further analysis suggested that the forms of the removed P in the ceramsite were mainly NH4F- and NaOH-extractable. Microbial communities in the ceramsite biofilter exhibited relatively high activity. Typically, various organic matter degradation-related genes (e.g., hemicellulose and starch degradations) were enriched, and a complete N-cycling pathway was established, which is beneficial for enriching microbes involved in ammonium-N conversion, especially Candidatus Brocadia, Candidatus Jettenia, Nitrosomonas, and Nitrospira. In addition, the structures of the ceramsite had high stability (e.g., compressive strength and major compositions). The ceramsites showed limited metal and metalloid pollution risks and even accumulated copper from the wastewater. These results demonstrate the high feasibility of applying ceramsite prepared from Al-based DWTR for water treatment.


Assuntos
Compostos de Amônio , Misturas Complexas , Água Potável , Purificação da Água , Águas Residuárias , Purificação da Água/métodos , Nitrogênio , Alumínio
18.
J Environ Manage ; 351: 119973, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38160547

RESUMO

Wastes recycling and reutilization technique could simultaneously fulfill waste control and energy recovery sustainably, which has attracted increasing attention. This work proposed a novel waste reuse technology utilizing ceramsite and amended Fe2O3-ceramsite made from waste activated sludge (WAS) as additives to promote the yield of methane from WAS anaerobic digestion (AD). Experimental results demonstrated that compared to the control (85.05 ± 0.2 mL CH4/g-VS), the cumulative methane yield was effectively enhanced by 14% and 40% when ceramsite and Fe2O3-ceramsite were added. Further investigation revealed that ceramsite, especially the Fe2O3-ceramsite, enriched the populations of key anaerobes involved in hydrolysis, acidification, and methanogenesis. Meanwhile, potential syntrophic metabolisms between syntrophic bacteria and methanogens were confirmed in the Fe2O3-ceramsite AD system. Mechanisms studies exhibited that ceramsite and Fe2O3-ceramsite reinforced intermediate processes for methane production. The favorable pore structure, enhanced Fe (III) reduction capacity and conductivity also contributed a lot to the AD process.


Assuntos
Bactérias Anaeróbias , Misturas Complexas , Esgotos , Anaerobiose , Esgotos/química , Bactérias Anaeróbias/metabolismo , Metano , Reatores Biológicos , Eliminação de Resíduos Líquidos/métodos
19.
Environ Geochem Health ; 46(3): 78, 2024 Feb 17.
Artigo em Inglês | MEDLINE | ID: mdl-38367092

RESUMO

Industrial by-products are stored in large quantities in the open, leading to wasted resources and environmental pollution, and the natural environment is similarly faced with phosphate depletion and serious water and soil pollution. This study uses these by-products to produce a new sludge/biomass ash ceramsite that will be used to adsorb nitrogen and phosphorus from wastewater, and solidify heavy metals in the soil while releasing Olsen P. The sludge/biomass ash ceramsites are made using sewage sludge and biomass ash in a certain ratio calcined at high temperatures and modified for the adsorption of nitrogen and phosphorus from wastewater. Sludge/biomass ash ceramsites before and after phosphorus adsorption, biochar and biomass ash were compared to analyze their heavy metal adsorption capacity and potential as phosphate fertilizer. After phosphorus adsorption, the sludge/biomass ash ceramsites released effective phosphorus steadily and rapidly in the soil, with a greater initial release than biochar and biomass ash, and the ceramsites were in a granular form that could be easily recycled. Biochar and biomass residue, due to their surface functional groups, are better at solidifying heavy metals than sludge/biomass ash ceramsites. Biochar, biomass ash and sludge/biomass ash ceramsites significantly reduced the concentrations of Cd, Cu, Pb and Zn in the soil. Correlation analysis demonstrated that there was a synergistic relationship between the increase in soil Olsen P content and the change in pH, with the increase in soil Olsen P content and the increase in pH contributing to heavy metal solidification.


Assuntos
Misturas Complexas , Metais Pesados , Poluentes do Solo , Esgotos/química , Águas Residuárias , Biomassa , Metais Pesados/análise , Carvão Vegetal/química , Solo/química , Fósforo/análise , Fosfatos/análise , Nitrogênio/análise , Poluentes do Solo/análise
20.
J Proteome Res ; 22(12): 3730-3741, 2023 12 01.
Artigo em Inglês | MEDLINE | ID: mdl-37976471

RESUMO

Cornea transplantation is one of the most commonly performed allotransplantations worldwide. Prolonged storage of donor corneas leads to decreased endothelial cell viability, severe stromal edema, and opacification, significantly compromising the success rate of corneal transplantation. Corneal stroma, which constitutes the majority of the cornea, plays a crucial role in maintaining its shape and transparency. In this study, we conducted proteomic analysis of corneal stroma preserved in Optisol-GS medium at 4 °C for 7 or 14 days to investigate molecular changes during storage. Among 1923 identified proteins, 1634 were quantifiable and 387 were significantly regulated with longer preservation. Compared to stroma preserved for 7 days, proteins involved in ocular surface immunomodulation were largely downregulated while proteins associated with extracellular matrix reorganization and fibrosis were upregulated in those preserved for 14 days. The increase in extracellular matrix structural proteins together with upregulation of growth factor signaling implies the occurrence of stromal fibrosis, which may compromise tissue clarity and cause vision impairments. This study is the first to provide insights into how storage duration affects corneal stroma from a proteomic perspective. Our findings may contribute to future research efforts aimed at developing long-term preservation techniques and improving the quality of preserved corneas, thus maximizing their clinical application.


Assuntos
Criopreservação , Proteômica , Humanos , Criopreservação/métodos , Córnea , Substância Própria/metabolismo , Matriz Extracelular , Gentamicinas/metabolismo , Misturas Complexas/metabolismo
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