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1.
J Environ Sci (China) ; 148: 188-197, 2025 Feb.
Article de Anglais | MEDLINE | ID: mdl-39095156

RÉSUMÉ

Bisphenol compounds (BPs) have various industrial uses and can enter the environment through various sources. To evaluate the ecotoxicity of BPs and identify potential gene candidates involved in the plant toxicity, Arabidopsis thaliana was exposed to bisphenol A (BPA), BPB, BPE, BPF, and BPS at 1, 3, 10 mg/L for a duration of 14 days, and their growth status were monitored. At day 14, roots and leaves were collected for internal BPs exposure concentration detection, RNA-seq (only roots), and morphological observations. As shown in the results, exposure to BPs significantly disturbed root elongation, exhibiting a trend of stimulation at low concentration and inhibition at high concentration. Additionally, BPs exhibited pronounced generation of reactive oxygen species, while none of the pollutants caused significant changes in root morphology. Internal exposure concentration analysis indicated that BPs tended to accumulate in the roots, with BPS exhibiting the highest level of accumulation. The results of RNA-seq indicated that the shared 211 differently expressed genes (DEGs) of these 5 exposure groups were enriched in defense response, generation of precursor metabolites, response to organic substance, response to oxygen-containing, response to hormone, oxidation-reduction process and so on. Regarding unique DEGs in each group, BPS was mainly associated with the redox pathway, BPB primarily influenced seed germination, and BPA, BPE and BPF were primarily involved in metabolic signaling pathways. Our results provide new insights for BPs induced adverse effects on Arabidopsis thaliana and suggest that the ecological risks associated with BPA alternatives cannot be ignored.


Sujet(s)
Arabidopsis , Composés benzhydryliques , Oxydoréduction , Phénols , Racines de plante , Arabidopsis/effets des médicaments et des substances chimiques , Arabidopsis/génétique , Phénols/toxicité , Composés benzhydryliques/toxicité , Racines de plante/effets des médicaments et des substances chimiques , Racines de plante/métabolisme , RNA-Seq , Analyse de séquence d'ARN , Polluants du sol/toxicité
2.
J Environ Sci (China) ; 148: 665-682, 2025 Feb.
Article de Anglais | MEDLINE | ID: mdl-39095198

RÉSUMÉ

Emission characteristics of biogenic volatile organic compounds (BVOCs) from dominant tree species in the subtropical pristine forests of China are extremely limited. Here we conducted in situ field measurements of BVOCs emissions from representative mature evergreen trees by using dynamic branch enclosures at four altitude gradients (600-1690 m a.s.l.) in the Nanling Mountains of southern China. Composition characteristics as well as seasonal and altitudinal variations were analyzed. Standardized emission rates and canopy-scale emission factors were then calculated. Results showed that BVOCs emission intensities in the wet season were generally higher than those in the dry season. Monoterpenes were the dominant BVOCs emitted from most broad-leaved trees, accounting for over 70% of the total. Schima superba, Yushania basihirsuta and Altingia chinensis had relatively high emission intensities and secondary pollutant formation potentials. The localized emission factors of isoprene were comparable to the defaults in the Model of Emissions of Gases and Aerosols from Nature (MEGAN), while emission factors of monoterpenes and sesquiterpenes were 2 to 58 times of those in the model. Our results can be used to update the current BVOCs emission inventory in MEGAN, thereby reducing the uncertainties of BVOCs emission estimations in forested regions of southern China.


Sujet(s)
Polluants atmosphériques , Surveillance de l'environnement , Forêts , Composés organiques volatils , Composés organiques volatils/analyse , Chine , Polluants atmosphériques/analyse , Arbres , Saisons
3.
J Environ Sci (China) ; 148: 79-87, 2025 Feb.
Article de Anglais | MEDLINE | ID: mdl-39095203

RÉSUMÉ

Furniture is identified as a vital volatile organic compound (VOC) emission source in the indoor environment. Leather has become the most common raw and auxiliary fabric material for upholstered furniture, particularly with extensive consumption in sofas, due to its abundant resources and efficient functions. Despite being widely traded across the world, little research has been conducted on the VOCs released by leather materials and their health risk assessment in the indoor environment. Accordingly, this study investigated the VOC emissions of leather with different grades and the health risk of the inhalation exposure. Based on the ultra-fast gas phase electronic nose (EN) and GC-FID/Qtof, the substantial emissions of aliphatic aldehyde ketones (Aks), particularly hexanal, appear to be the cause of off-flavor in medium and low grade (MG and LG) sofa leathers. The health risk assessment indicated that leather materials barely pose non-carcinogenic and carcinogenic effects to residents. Given the abundance of VOC sources and the accumulation of health risks in the indoor environment, more stringent specifications concerning qualitative and quantitative content should be extended to provide VOC treatment basic for the manufacturing industry and obtain better indoor air quality.


Sujet(s)
Pollution de l'air intérieur , Composés organiques volatils , Composés organiques volatils/analyse , Pollution de l'air intérieur/analyse , Pollution de l'air intérieur/statistiques et données numériques , Appréciation des risques , Surveillance de l'environnement , Polluants atmosphériques/analyse , Humains , Architecture d'intérieur et mobilier , Exposition par inhalation/analyse , Exposition par inhalation/statistiques et données numériques , Textiles/analyse
4.
J Environ Sci (China) ; 149: 456-464, 2025 Mar.
Article de Anglais | MEDLINE | ID: mdl-39181657

RÉSUMÉ

Nitrogen-containing organic compounds (NOCs) may potentially contribute to aqueous secondary organic aerosols, yet the different formation of NOCs in aerosol particles and cloud droplets remains unclear. With the in-situ measurements performed at a mountain site (1690 m a.s.l.) in southern China, we investigated the formation of NOCs in the cloud droplets and the cloud-free particles, based on their mixing state information of NOCs-containing particles by single particle mass spectrometry. The relative abundance of NOCs in the cloud-free particles was significantly higher than those in cloud residual (cloud RES) particles. NOCs were highly correlated with carbonyl compounds (including glyoxalate and methylglyoxal) in the cloud-free particles, however, limited correlation was observed for cloud RES particles. Analysis of their mixing state and temporal variations highlights that NOCs was mainly formed from the carbonyl compounds and ammonium in the cloud-free particles, rather than in the cloud RES particles. The results support that the formation of NOCs from carbonyl compounds is facilitated in concentrated solutions in wet aerosols, rather than cloud droplets. In addition, we have identified the transport of biomass burning particles that facilitate the formation of NOCs, and that the observed NOCs is most likely contributed to the light absorption. These findings have implications for the evaluation of NOCs formation and their contribution to light absorption.


Sujet(s)
Aérosols , Polluants atmosphériques , Surveillance de l'environnement , Azote , Composés chimiques organiques , Aérosols/analyse , Polluants atmosphériques/analyse , Polluants atmosphériques/composition chimique , Azote/composition chimique , Azote/analyse , Composés chimiques organiques/composition chimique , Chine , Atmosphère/composition chimique , Matière particulaire/analyse , Matière particulaire/composition chimique
5.
J Environ Sci (China) ; 149: 465-475, 2025 Mar.
Article de Anglais | MEDLINE | ID: mdl-39181659

RÉSUMÉ

VOCs (Volatile organic compounds) exert a vital role in ozone and secondary organic aerosol production, necessitating investigations into their concentration, chemical characteristics, and source apportionment for the effective implementation of measures aimed at preventing and controlling atmospheric pollution. From July to October 2020, online monitoring was conducted in the main urban area of Shijiazhuang to collect data on VOCs and analyze their concentrations and reactivity. Additionally, the PMF (positive matrix factorization) method was utilized to identify the VOCs sources. Results indicated that the TVOCs (total VOCs) concentration was (96.7 ± 63.4 µg/m3), with alkanes exhibiting the highest concentration of (36.1 ± 26.4 µg/m3), followed by OVOCs (16.4 ± 14.4 µg/m3). The key active components were alkenes and aromatics, among which xylene, propylene, toluene, propionaldehyde, acetaldehyde, ethylene, and styrene played crucial roles as reactive species. The sources derived from PMF analysis encompassed vehicle emissions, solvent and coating sources, combustion sources, industrial emissions sources, as well as plant sources, the contribution of which were 37.80%, 27.93%, 16.57%, 15.24%, and 2.46%, respectively. Hence, reducing vehicular exhaust emissions and encouraging neighboring industries to adopt low-volatile organic solvents and coatings should be prioritized to mitigate VOCs levels.


Sujet(s)
Polluants atmosphériques , Surveillance de l'environnement , Composés organiques volatils , Composés organiques volatils/analyse , Polluants atmosphériques/analyse , Chine , Emissions des véhicules/analyse , Villes , Pollution de l'air/statistiques et données numériques , Pollution de l'air/prévention et contrôle , Pollution de l'air/analyse
6.
Food Chem ; 462: 141000, 2025 Jan 01.
Article de Anglais | MEDLINE | ID: mdl-39241686

RÉSUMÉ

Food waste, accounting for about one-third of the total global food resources wasted each year, is a substantial challenge to global sustainability, contributing to adverse environmental impacts. The utilization of food waste as a valuable source for bioactive extraction can be facilitated through the application of DES (Deep Eutectic Solvents). Acknowledging the significant need to tackle this issue, the United Nations integrated food waste management into its Sustainable Development Goals, hence, the present review explores the role of DES in bioactive compounds extraction from food waste. Various extraction processes using the DES system are thoroughly studied and the application of bioactive components as antioxidants, antimicrobials, flavourings, nutraceuticals, functional ingredients, additives, and preservatives is investigated. Most importantly, regulatory considerations and safety aspects of DES in food applications are discussed in-depth along with consumer perception and acceptance of DES in the food sector. The key hypothesis of the review is to evaluate emerging DES systems for their efficiency in bioactive extraction technologies and various food applications. Overall, this review provides a comprehensive understanding of utilizing DES for synthesizing valuable food waste-derived bioactive components, offering a sustainable approach to waste management and the development of high-value products.


Sujet(s)
Solvants eutectiques profonds , Développement durable , Solvants eutectiques profonds/composition chimique , Déchets/analyse , Gestion des déchets/méthodes , Humains , Antioxydants/composition chimique , Antioxydants/isolement et purification ,
7.
Food Chem ; 462: 140806, 2025 Jan 01.
Article de Anglais | MEDLINE | ID: mdl-39241684

RÉSUMÉ

Dried citrus peel (DCP), also called "Chen Pi", has edible and medicinal value. However, the specific differences among various sources remain unknown. Herein, we collected six DCP species, namely, one Citrus reticulata 'Chachi' (CZG) and five Citrus reticulata Blanco (CRB). Targeted high-performance liquid chromatography and untargeted ultra-high-performance liquid chromatography-tandem mass spectrometry were employed to comprehensively compare the phenolic compounds and metabolites in DCP. Interestingly, 13 different phenolic compounds were noted in DCP. The total phenolic compound content in all CRB samples (58.86-127.65 mg/g) was higher than that of CZG (39.47 mg/g). Untargeted metabolomic revealed 1495 compounds, with 115 differentially expressed metabolites for CRBs and CZG, particularly flavonoids (38), terpenoids (15), and phenolic acids and derivatives (9). Lastly, antioxidant assays revealed that all CRB samples exhibited higher antioxidant activities compared with CZG. Therefore, our study results provide a theoretical basis for the high-value utilization of citrus peels and their metabolites.


Sujet(s)
Antioxydants , Citrus , Fruit , Métabolomique , Extraits de plantes , Spectrométrie de masse en tandem , Citrus/composition chimique , Citrus/métabolisme , Antioxydants/composition chimique , Antioxydants/métabolisme , Antioxydants/analyse , Chromatographie en phase liquide à haute performance , Fruit/composition chimique , Fruit/métabolisme , Extraits de plantes/composition chimique , Extraits de plantes/métabolisme , Phénols/métabolisme , Phénols/composition chimique , Phénols/analyse , Flavonoïdes/métabolisme , Flavonoïdes/composition chimique , Flavonoïdes/analyse
8.
Food Chem ; 462: 140925, 2025 Jan 01.
Article de Anglais | MEDLINE | ID: mdl-39190981

RÉSUMÉ

Grape pomace (GP) and pecan shell (PS) are two by-products rich in phenolic compounds (PC), and dietary fiber (DF) that may be considered for the development of functional baked foods. In this study, four formulations with different GP:PS ratios (F1(8%:5%), F2(5%:5%), F3(5%:2%), F4(0%:5%), and control bread (CB)) were elaborated and characterized (physiochemical and phytochemical content). Also, their inner structure (SEM), changes in their FTIR functional group's vibrations, and the bioaccessibility of PC and sugars, including an in vitro glycemic index, were analyzed. Results showed that all GP:PS formulations had higher mineral, protein, DF (total, soluble, and insoluble), and PC content than CB. Additionally, PC and non-starch polysaccharides affected gluten and starch absorbance and pores distribution. In vitro digestion model showed a reduction in the glycemic index for all formulations, compared to CB. These findings highlight the possible health benefits of by-products and their interactions in baked goods.


Sujet(s)
Pain , Fibre alimentaire , Indice glycémique , Phénols , Vitis , Fibre alimentaire/analyse , Fibre alimentaire/métabolisme , Pain/analyse , Vitis/composition chimique , Phénols/composition chimique , Phénols/métabolisme , Humains , Digestion , Aliment enrichi/analyse , Déchets/analyse
9.
Food Chem ; 462: 140951, 2025 Jan 01.
Article de Anglais | MEDLINE | ID: mdl-39213975

RÉSUMÉ

Inflammatory bowel disease is a multifaceted condition that is influenced by nutritional, microbial, environmental, genetic, psychological, and immunological factors. Polyphenols and polysaccharides have gained recognition for their therapeutic potential. This review emphasizes the biological effects of polyphenols and polysaccharides, and explores their antioxidant, anti-inflammatory, and microbiome-modulating properties in the management of inflammatory bowel disease (IBD). However, polyphenols encounter challenges, such as low stability and low bioavailability in the colon during IBD treatment. Hence, polysaccharide-based encapsulation is a promising solution to achieve targeted delivery, improved bioavailability, reduced toxicity, and enhanced stability. This review also discusses the significance of covalent and non-covalent interactions, and simple and complex encapsulation between polyphenols and polysaccharides. The administration of these compounds in appropriate quantities has proven beneficial in preventing the development of Crohn's disease and ulcerative colitis, ultimately leading to the management of IBD. The use of polyphenols and polysaccharides has been found to reduce histological scores and colon injury associated with IBD, increase the abundance of beneficial microbes, inhibit the development of colitis-associated cancer, promote the production of microbial end-products, such as short-chain fatty acids (SCFAs), and improve anti-inflammatory properties. Despite the combined effects of polyphenols and polysaccharides observed in both in vitro and in vivo studies, further human clinical trials are needed to comprehend their effectiveness on inflammatory bowel disease.


Sujet(s)
Anti-inflammatoires , Maladies inflammatoires intestinales , Polyphénols , Polyosides , Polyphénols/composition chimique , Polyphénols/pharmacologie , Polyphénols/administration et posologie , Humains , Polyosides/composition chimique , Polyosides/pharmacologie , Maladies inflammatoires intestinales/traitement médicamenteux , Maladies inflammatoires intestinales/métabolisme , Animaux , Anti-inflammatoires/composition chimique , Anti-inflammatoires/pharmacologie , Anti-inflammatoires/administration et posologie , Microbiome gastro-intestinal/effets des médicaments et des substances chimiques , Antioxydants/composition chimique , Antioxydants/pharmacologie
10.
Food Chem ; 462: 140704, 2025 Jan 01.
Article de Anglais | MEDLINE | ID: mdl-39226642

RÉSUMÉ

Clove (Syzygium aromaticum) is one of the most commonly used spices in stewed beef to enrich and improve its aroma during the stewing process. Gas chromatography ion mobility spectroscopy (GC-IMS), Q Exactive GC-Orbitrap-MS-O (QE-GC-MS/O), combined with sensory evaluation were employed to analyze the flavor endowment of aroma-active compounds in cloves to stewed beef. A total of 173 volatiles were identified in the clove powder (CP), stewed beef with clove (SBC), and stewed beef with salt (SBS), of which 21 volatiles were considered as aroma-active compounds. The concept of flavor endowment of aroma-active compounds in cloves was defined innovatively, and the endowment rate values (ERVs) of stewed beef were calculated. Nine aroma-active compounds in cloves were found to have a flavor endowment effect on stewed beef, while the terpenoids exhibited high ERVs. Despite the low ERV of eugenol, it still significantly impacted the aroma profile of SBC due to its high odor activity value (OAV) and flavor dilution (FD) factor. These volatiles offered mainly the clove, herbal, anise, and floral odor to stewed beef, which was also confirmed by sensory evaluation. These findings indicated that the terpenoids, phenolics and ethers in cloves had a significant influence on the overall aroma of stewed beef through the flavor endowment, which contributed to the precise use of cloves and improved the aroma of stewed beef.


Sujet(s)
Aromatisants , Chromatographie gazeuse-spectrométrie de masse , Odorisants , Syzygium , Goût , Composés organiques volatils , Syzygium/composition chimique , Bovins , Composés organiques volatils/composition chimique , Odorisants/analyse , Humains , Animaux , Aromatisants/composition chimique , Adulte , Femelle , Mâle , Épices/analyse , Cuisine (activité) , Jeune adulte , Viande rouge/analyse
11.
Meat Sci ; 218: 109643, 2024 Aug 24.
Article de Anglais | MEDLINE | ID: mdl-39217803

RÉSUMÉ

Machine learning classification approaches were used to discriminate a fishy off-flavour identified in beef with health-enhanced fatty acid profiles. The random forest approach outperformed (P < 0.001; receiver operating characteristic curve: 99.8 %, sensitivity: 99.9 % and specificity: 93.7 %) the logistic regression, partial least-squares discrimination analysis and the support vector machine (linear and radial) approaches, correctly classifying 100 % and 82 % of the fishy and non-fishy meat samples, respectively. The random forest algorithm identified 20 volatile compounds responsible for the discrimination of fishy from non-fishy meat samples. Among those, seven volatile compounds (pentadecane, octadecane, γ-dodecalactone, dodecanal, (E,E)-2,4-heptadienal, 2-heptanone, and ethylbenzene) were selected as significant contributors to the fishy off-flavour fingerprint, all being related to lipid oxidation. This fishy off-flavour fingerprint could facilitate the rapid monitoring of beef with enhanced healthy fatty acids to avoid consumer dissatisfaction due to fishy off-flavour.

12.
J Hazard Mater ; 479: 135653, 2024 Aug 27.
Article de Anglais | MEDLINE | ID: mdl-39217939

RÉSUMÉ

In this study, a novel COFTABT@COFTATp modified magnetic MXene composite (CoFe2O4 @Ti3C2 @COFTABT@COFTATp) was synthesized by Schiff base reaction and irre-versible enol-keto tautomerization, and employed to establish a sensitive monitoring method for six thiophene compounds in oilfield produced water samples based on magnetic solid-phase extraction (MSPE) prior to gas chromatography coupled with a triple quadruple mass spectrometer (GC-MS/MS). The designed magnetic materials exhibited unexpected enrichment ability to target thiophene compounds and achieved good extraction efficiencies ranging from 83 % to 98 %. The developed MSPE/GC-MS/MS method exhibited good linearity in the range of 0.001-100 µg L-1, and obtained lower limits of detection ranging from 0.39 to 1.9 ng L-1. The spiked recoveries of thiophene compounds obtained in three oilfield produced water samples were over the range of 96.26 %-99.54 % with relative standard deviations (RSDs) less than 3.7 %. Notably, benzothiophene, 4-methyldibenzothiophene and 4,6-dimethyldibenzothiophene were detected in three oilfield-produced water samples. Furthermore, the material still kept favorable stability after six recycling experiments. The adsorption kinetics, adsorption isotherms as well as adsorption thermodynamics of thiophene compounds were investigated in detail to provide insight into the mechanisms. Overall, the present work contributed a promising strategy for designing and synthesizing new functionalized materials for the enrichment and detection of typical pollutants in the environment.

13.
Article de Anglais | MEDLINE | ID: mdl-39219423

RÉSUMÉ

Wild food plants (WFPs) grow naturally and are essential components of the diet and conventional food chain. These plants are underutilized despite being nutritious and highly bio-active compounds. Wild food consumption has declined over the last generation owing to life-style changes and lower availability, and it is still consumed by marginalized communities. WFPs are available in a broad range of species and flavors that can help diversify the diet and make meals more enjoyable. Therefore, enhancing the availability and consumption of pro-cessed foods manufactured from wild plants is necessary. The increased use of processed prod-ucts formulated from edible wild plants can improve nutrition and protect ecological and cultural varieties. They are high in vitamins and micro-and macronutrients, which are essential for com-munities particularly vulnerable to malnutrition and imbalanced health. As plants develop natu-rally without the use of pesticides or other fertilizers, wild-food plants are typically considered more sustainable than commercial crops. Wild plants contain phytochemicals with various phar-macological and biological properties. Consuming WFPs should be done with caution and mod-eration, because some wild plants can be hazardous or harmful if consumed in large quantities or without adequate preparation. This review discusses various emerging technologies for han-dling wild food plants, the health benefits of these wild food plants, the effect of processing on reducing ant nutritional components, pharmaceutical potential, and consumers' overall percep-tions of wild food plants.

14.
Small ; : e2405719, 2024 Sep 02.
Article de Anglais | MEDLINE | ID: mdl-39221679

RÉSUMÉ

Na3V2(PO4)3(NVP), as a representative sodium superionic conductor with a stable polyanion framework, is considered a cathode candidate for aqueous zinc-ion batteries attributed to their high discharge platform and open 3D structure. Nevertheless, the structural stability of NVP and the cathode-electrolyte interphase (CEI) layer formed on NVP can be deteriorated by the aqueous electrolyte to a certain extent, which will result in slow Zn2+ migration. To solve these problems, doping Si elements to NVP and adding sodium acetate (NaAc) to the electrolyte are utilized as a synergistic regulation route to enable a highly stable  CEI with rapid Zn2+ migration. In this regard, Ac- competitively takes part in the solvation structure of Zn2+ in aqueous electrolyte, weakening the interaction between water and Zn2+, and meanwhile a highly stable CEI is formed to avoid structural damage and enable rapid Zn2+ migration. The NVPS/C@rGO electrode exhibits a notable capacity of 115.5 mAh g-1 at a current density of 50 mA g-1 in the mixed electrolyte (3 M ZnOTF2+3 M NaAc). Eventually, a collapsible "sandwich" soft pack battery is designed and fabricated and can be used to power small fans and LEDs, which proves the practical application of aqueous zinc-ion batteries in flexible batteries.

15.
Curr Med Chem ; 2024 Sep 03.
Article de Anglais | MEDLINE | ID: mdl-39229987

RÉSUMÉ

Capsaicin analogs, whether sourced from natural origins or synthesized de novo, have garnered significant attention across diverse scientific disciplines. This comprehensive investigation explores the expansive domain of medicinal chemistry and pharmacology, focusing on capsaicin and its analogs. Notably, these analogs exhibit a wideranging pharmacological spectrum, with a particular emphasis on their potent antitumor properties. Researchers frequently explore structural modifications, particularly in region C, consistently enhancing their pharmacological activities. A highlighted finding is that analogs with alterations in both regions A and C manifest a diverse array of effects, spanning from anti-obesity to protection against ischemia. They also demonstrate anti- Alzheimer's, anti-fibrotic, anti-inflammatory, anti-diabetic, antimalarial, and anti-epileptic properties. This underscores the potential of structural adaptations in these regions, expanding the therapeutic applications of capsaicin-like compounds. Additionally, manipulations in regions B and C result in compounds that possess antioxidant and anti-obesity properties, providing valuable insights for the development of novel compounds. The therapeutic potential of capsaicin analogs opens innovative avenues for drug design and development, promising to address a broad spectrum of diseases and enhance global quality of life. Moreover, this article meticulously examines various synthetic methodologies for synthesizing capsaicin analogs, complementing the main review. These methodologies distinguish themselves through their simplicity, mild reaction conditions, and reliance on readily available commercial reagents. The accessible synthesis pathways enable researchers from diverse backgrounds to explore these compounds, fostering investigations and potential therapeutic applications.

16.
Mol Divers ; 2024 Sep 03.
Article de Anglais | MEDLINE | ID: mdl-39225905

RÉSUMÉ

NUDIX hydrolase 5 (NUDT5) is an enzyme involved in the hydrolysis of nucleoside diphosphates linked to other moieties, such as ADP-ribose. This cofactor is vital in redox reactions and is essential for the activity of sirtuins and poly(ADP-ribose) polymerases, which are involved in DNA repair and genomic stability. It has been shown that NUDT5 activity can also influence NAD+ homeostasis, thereby affecting cancer cell metabolism and survival. In this regard, the discovery of NUDT5 inhibitors has emerged as a potential therapeutic approach in cancer treatment. In this study, we conducted a high-throughput virtual screening of marine bacterial compounds against the NUDT5 enzyme and four molecules were selected based on their docking scores. These compounds established strong interactions within the NUDT5 active site, with molecular analysis highlighting the key role of Trp28A and Trp46B residues. Molecular dynamics simulations over 200 ns indicated a stable behavior, in association with root mean square deviation values always below 3 Å, suggesting conformational stability. Free energy landscape analysis further supported their potential as NUDT5 inhibitors, offering avenues for novel therapeutic strategies against NUDT5-associated breast cancer.

17.
J Hazard Mater ; 479: 135765, 2024 Sep 05.
Article de Anglais | MEDLINE | ID: mdl-39259987

RÉSUMÉ

Real lindane landfill leachate (HCH-LL) is characterised by high chlorinated organic compounds concentrations (primarily hexachlorocyclohexane (HCH) isomers and degradation products generated during more than 40 years of ageing), posing environmental and human health risks. In this work, the co-treatment of real HCH-LL (pre-treated via electro-oxidation (EO)) and urban wastewater using an activated sludge process operated in an anoxic/oxic sequencing batch (A/O-SBR) mode was investigated. EO tests were conducted employing either a boron-doped diamond (BDD) anode or a dimensionally stable anode (DSA), resulting in effective HCH isomers removal (>93 % after 20 Ah/L). Chloride-derived by-products (CDBPs) such as free chlorine (up to 828 mg Cl2/L), chlorate (up to 972 mg/L) (formed with EO (DSA)) and perchlorate (up to 1830 mg/L) (with EO (BDD)) persisted after the treatment. EO (DSA) resulted in inhibitory effects (up to 100 % respiration inhibition) on the biological process. Conversely, EO (BDD) negligibly affected biological respiration (up to 20 % less than without pre-treatment), while perchlorate bio-reduction by A/O-SBR was poor (28 %). Acetate addition in pre-treated HCH-LL for perchlorate bio-reduction allowed to achieve simultaneous contaminants removal (> 99 %) and CDBPs reduction (up to 100 %). Biodegradation and bio-adsorption tests without pre-treatment showed partial HCH isomers removal (about 40 %) and poor bio-adsorption.

18.
J Contam Hydrol ; 267: 104422, 2024 Sep 03.
Article de Anglais | MEDLINE | ID: mdl-39260022

RÉSUMÉ

The contaminant mass discharge is a relevant metric to evaluate the risk that a groundwater plume poses to water resources. However, this assessment is often vitiated by a high uncertainty inherent to the assessment method and often limited number of measurement points to carry out the assessment. Direct-Push techniques in combination with profiling tools and dedicated sampling can be an interesting alternative to increase the measurement point density and hence reduce the mass discharge uncertainty. The main objective of our study was to assess if DP logging and sampling could be employed to get a reasonable estimate of contaminant mass discharge in a large sulfonamide contaminant plume (> 1500 m wide), compared to a more traditional approach based on monitoring wells. To do so, an Hydraulic Profiling Tool (HPT) logging with a dedicated site calibration was used to estimate the hydraulic conductivity field. The sulfonamide concentrations were inferred from the compound fluorescence properties measured by laboratory spectrofluorometry (λEx / λEm = 255/340 nm) and a dedicated log-log linear regression model. Our results show that HPT-derived hydraulic conductivity values are in good agreement with the monitoring well results, and within the order of magnitude reported in similar studies or indirect geophysical techniques. Fluorescence appears as a powerful proxy for the sulfonamide concentration levels. Ultimately, the contaminant mass discharge estimate from HPT and fluorescence techniques lies within a factor 2 from the estimate by monitoring wells, with 549 [274-668] and 776 [695-879] kg/yr respectively. Overall, this study highlights that DP logging tools combined with indirect methods (correlation with fluorescence) could provide a relevant contaminant mass discharge estimate for some optically active substances, given that a proper calibration phase is carried out.

19.
J Environ Manage ; 370: 122355, 2024 Sep 10.
Article de Anglais | MEDLINE | ID: mdl-39260282

RÉSUMÉ

Vinyl acetate is a volatile organic compound widely used in the chemical industry, and there is a need for effective and economic removal of this volatile organic compound from wastewater and waste gases in chemical industries. This study aims to determine the biological treatability of vinyl acetate both under aerobic and anoxic conditions using mixed cultures obtained from a wastewater treatment plant. Considering the previous studies in the literature, testing the biodegradability of vinyl acetate under both aerobic and anoxic conditions, together with evaluating the effect of other mechanisms, such as adsorption and volatilization, on the removal of vinyl acetate, can be regarded as the prominent part of this study. Wastewater containing artificially prepared vinyl acetate was treated in a batch bioreactor, and performance and kinetic constants were investigated. Aerobic treatment under batch conditions conformed to the Haldane biokinetic equation, and the biokinetic constants of µmax, Ks, and Ki were calculated as 0.66 h-1, 19.67 mg L-1 and 50.56 mg L-1, respectively. Anoxic treatment under batch conditions conformed to the Monod biokinetic equation, and the biokinetic constants of µmax and Ks were calculated as 0.31 h-1 and 33.88 mg L-1, respectively. Experiments revealed that vinyl acetate was not volatile, and its adsorption and biological treatment performances were 28% and 72%, respectively. The mixed culture had a very high performance for removing vinyl acetate under batch operating conditions. The primary mechanism of vinyl acetate removal was found to be biological treatment.

20.
Eur J Med Chem ; 279: 116844, 2024 Sep 06.
Article de Anglais | MEDLINE | ID: mdl-39260320

RÉSUMÉ

Boronated carbohydrate derivatives have good potential for targeting malignant cells in Boron Neutron Capture Therapy (BNCT) due to their preferential glucose uptake. In particular, with the introduction of the ammonium trifluoroborate moiety, boronated sugars can function as both BNCT agents and Positron Emission Tomography (PET) tracers. Their 18F radiolabeling allows real-time tracking of biodistribution. This study evaluates the chemical, metabolic, and plasma stability of ammonium trifluoroborates for pharmaceutical purposes using LC-HRMS, presenting stability data under various conditions -acidic, basic, pseudophysiological, and oxidative- and highlighting degradation products and mechanisms. The data are supported by 1H NMR and 19F NMR. Metabolic and plasma stabilities, along with preliminary toxicological data (MTT assays), are also provided to better predict the clinical applicability of these compounds.

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