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1.
Environ Res ; 241: 117544, 2024 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-37944689

RESUMO

This study addresses the urgent need for practical solutions to industrial water contamination. Utilizing Algerian Bentonite as an adsorbent due to its regional prevalence, we focused on the efficiency of the Bentonite/Sodium dodecylbenzene sulfonate (SDBS) matrix in Methylene Blue (MB) removal. The zero-charge point and IR spectroscopy characterized the adsorbent. Acidic pH facilitated SDBS adsorption on Bentonite, achieving equilibrium in 30 min with a pseudo-second-order model. The UPAC and Freundlich model indicated a qmax of 25.97 mg/g. SDBS adsorption was exothermic at elevated temperatures. The loaded Bentonite exhibited excellent MB adsorption (pH 3-9) with PSOM kinetics. Maximum adsorption capacity using IUPAC and GILES-recommended isotherms was qmax = 23.54 mg/g. The loaded Bentonite's specific surface area was 70.01 m2/g, and the Sips model correlated well with experimental data (R2 = 0.98). This study highlights adsorption, mainly Bentonite/SDBS matrices, as a promising approach for remediating polluted areas by efficiently capturing and removing surfactants and dyes, contributing valuable insights to address industrial water contamination challenges.


Assuntos
Bentonita , Poluentes Químicos da Água , Bentonita/química , Azul de Metileno , Águas Residuárias , Poluentes Químicos da Água/análise , Concentração de Íons de Hidrogênio , Adsorção , Cinética , Água
2.
BMC Geriatr ; 24(1): 679, 2024 Aug 13.
Artigo em Inglês | MEDLINE | ID: mdl-39138405

RESUMO

INTRODUCTION: Quality of life (QoL) is a subjective measure reflecting individuals' evaluations based on their personal goals and values. While global research shows the role of neighborhood factors like ethnic diversity and socio-cultural dynamics on QoL, these are unexplored in the Nepali context. Therefore, this study examined the relationship between neighborhood environment and QoL among Nepali older adults in eastern Nepal. METHODS: This cross-sectional study involved 847 non-institutionalized older adults (aged ≥ 60 years) from two districts in eastern Nepal. QoL was evaluated using the 13-item brief Older People's Quality of Life questionnaire, where a mean score of < 3 indicated low/poor QoL. The neighborhood environment, conceptualized across three domains (demographic, socio-cultural, and built environment), included ethnic diversity, connections with family, friends, and neighbors, cultural ties, residential stability, and rurality. Their association with QoL was examined using multivariable logistic regression. RESULTS: Around 20% of older adults reported poor QoL. Higher ethnic diversity (adjusted Odds Ratio [aOR] = 0.12, 95% confidence interval [CI]: 0.04-0.36), moderate contact with family and relatives (aOR = 0.26, CI: 0.11-0.61), and high contact with neighbors (aOR = 0.09, CI: 0.03-0.21) were associated with lower odds of poor QoL. Conversely, high contact with friends (aOR = 2.29, CI: 1.30-4.04) and unstable residence (OR = 6.25, CI: 2.03-19.23) increased the odds of poor QoL. Additionally, among the covariates, chronic disease, tobacco use, unemployment, and lack of education were also significantly associated with poor QoL. CONCLUSION: Overall, the demographic environment, socio-cultural factors, and the built environment of the neighborhood influence QoL. Therefore, diversifying the neighborhood's ethnic composition, promoting social connections such as frequent contact with family, relatives, and neighbors, and ensuring residential stability can enhance the QoL of older adults.


Assuntos
Qualidade de Vida , Humanos , Nepal/epidemiologia , Nepal/etnologia , Estudos Transversais , Masculino , Idoso , Feminino , Qualidade de Vida/psicologia , Pessoa de Meia-Idade , Características da Vizinhança , Características de Residência , Idoso de 80 Anos ou mais , Inquéritos e Questionários
3.
Ecotoxicol Environ Saf ; 281: 116596, 2024 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-38896899

RESUMO

Cadmium (Cd), which accumulates in tobacco leaves, enters the human body through inhalation of smoke, causing harmful effects on health. Therefore, identifying the pivotal factors that govern the absorption and resistance of Cd in tobacco is crucial for mitigating the harmful impact of Cd. In the present study, four different Cd-sensitive varieties, namely, ZhongChuan208 (ZC) with resistance, ZhongYan100 (ZY), K326 with moderate resistance, and YunYan87 (YY) with sensitivity, were cultivated in hydroponic with different Cd concentrations (20 µM, 40 µM, 60 µM and 80 µM). The results indicated that plant growth was significantly decreased by Cd. Irrespective of the Cd concentration, ZC exhibited the highest biomass, while YY had the lowest biomass; ZY and K326 showed intermediate levels. Enzymatic (APX, CAT, POD) and nonenzymatic antioxidant (Pro, GSH) systems showed notable variations among varieties. The multifactor analysis suggested that the ZC and ZY varieties, with higher levels of Pro and GSH content, contribute to a decrease in the levels of MDA and ROS. Among all the Cd concentrations, ZC exhibited the lowest Cd accumulation, while YY showed the highest. Additionally, there were significant differences observed in Cd distribution and translocation factors among the four different varieties. In terms of Cd distribution, cell wall Cd accounted for the highest proportion of total Cd, and organelles had the lowest proportion. Among the varieties, ZC showed lower Cd levels in the cell wall, soluble fraction, and organelles. Conversely, YY exhibited the highest Cd accumulation in all tissues; K326 and ZY had intermediate levels. Translocation factors (TF) varied among the varieties under Cd stress, with ZC and ZY showing lower TF compared to YY and K326. This phenomenon mainly attributed to regulation of the NtNramp3 and NtNramp5 genes, which are responsible for the absorption and transport of Cd. This study provides a theoretical foundation for the selection and breeding of tobacco varieties that are resistant to or accumulate less Cd.


Assuntos
Nicotiana , Nicotiana/química , Nicotiana/genética , Nicotiana/crescimento & desenvolvimento , Nicotiana/metabolismo , Cádmio/toxicidade , Resistência a Medicamentos , Regulação da Expressão Gênica de Plantas/efeitos dos fármacos , Estresse Fisiológico/efeitos dos fármacos , Antioxidantes/metabolismo , Proteínas de Transporte de Cátions/metabolismo
4.
J Basic Microbiol ; 64(10): e2400035, 2024 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-39004868

RESUMO

Nanomaterial synthesis is a growing study area because of its extensive range of uses. Nanoparticles' high surface-to-volume ratio and rapid interaction with various particles make them appealing for diverse applications. Traditional physical and chemical methods for creating metal nanoparticles are becoming outdated because they involve complex manufacturing processes, high energy consumption, and the formation of harmful by-products that pose major dangers to human health and the environment. Therefore, there is an increasing need to find alternative, cost-effective, dependable, biocompatible, and environmentally acceptable ways of producing nanoparticles. The process of synthesizing nanoparticles using microbes has become highly intriguing because of their ability to create nanoparticles of varying sizes, shapes, and compositions, each with unique physicochemical properties. Microbes are commonly used in nanoparticle production because they are easy to work with, can use low-cost materials, such as agricultural waste, are cheap to scale up, and can adsorb and reduce metal ions into nanoparticles through metabolic activities. Biogenic synthesis of nanoparticles provides a clean, nontoxic, ecologically friendly, and sustainable method using renewable ingredients for reducing metals and stabilizing nanoparticles. Nanomaterials produced by bacteria can serve as an effective pollution control method due to their many functional groups that can effectively target contaminants for efficient bioremediation, aiding in environmental cleanup. At the end of the paper, we will discuss the obstacles that hinder the use of biosynthesized nanoparticles and microbial-based nanoparticles. The paper aims to explore the sustainability of microorganisms in the burgeoning field of green nanotechnology.


Assuntos
Bactérias , Biotecnologia , Consórcios Microbianos , Nanopartículas , Biotecnologia/métodos , Bactérias/metabolismo , Nanopartículas/química , Biodegradação Ambiental , Nanopartículas Metálicas/química , Nanotecnologia
5.
Int J Mol Sci ; 25(2)2024 Jan 14.
Artigo em Inglês | MEDLINE | ID: mdl-38256105

RESUMO

This study investigates the efficacy of adsorbents from locally sourced olive waste-encompassing olive skins, leaves, and pits, recovered from the initial centrifugation of olives (OWP)-and a composite with sodium alginate (OWPSA) for the removal of Cu2+ ions from synthetic wastewater. Experimental analyses conducted at room temperature, with an initial Cu2+ concentration of 50 mg/L and a solid/liquid ratio of 1 g/L, showed that the removal efficiencies were approximately 79.54% and 94.54% for OWP and OWPSA, respectively, highlighting the positive impact of alginate on adsorption capacity. Utilizing statistical physics isotherm models, particularly the single-layer model coupled to real gas (SLMRG), allowed us to robustly fit the experimental data, providing insights into the adsorption mechanisms. Thermodynamic parameters affirmed the spontaneity and endothermic nature of the processes. Adsorption kinetics were interpreted effectively using the pseudo-second-order (PSO) model. Molecular modeling investigations, including the conductor-like screening model for real solvents (COSMO-RS), density functional theory (DFT), and atom-in-molecule (AIM) analysis, unveiled intricate molecular interactions among the adsorbent components-cellulose, hemicellulose, lignin, and alginate-and the pollutant Cu2+, confirming their physically interactive nature. These findings emphasize the synergistic application of experimental and theoretical approaches, providing a comprehensive understanding of copper adsorption dynamics at the molecular level. This methodology holds promise for unraveling intricate processes across various adsorbent materials in wastewater treatment applications.


Assuntos
Olea , Cobre , Águas Residuárias , Adsorção , Alginatos
6.
J Environ Manage ; 354: 120271, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-38354610

RESUMO

How to use digitalization to support the green transformation of organizations has drawn much attention based on the rapid development of digitalization. However, digital transformation (DT) may be hindered by the "IT productivity paradox." Exploring the influence of DT on green innovation, we analyze panel data encompassing A-share listed companies in Shanghai and Shenzhen spanning the period from 2010 to 2018. It tests the DT's non-linear impact, employing a random-forest and mediation effect models. The results reveal that (i) DT can promote green innovation; (ii) regarding heterogeneity, the promotion effect is mainly manifested in enterprises in non-state-owned and highly competitive industries; (iii) based on mechanism testing, DT relies on two routes to encourage green innovation: improving environmental information disclosure and reducing environmental uncertainty; and (iv) random-forest analysis shows that DT exhibits an inverted U-shaped non-linear effect on green innovation, including the "IT productivity paradox." This study enhances the existing discourse on DT and green innovation by furnishing empirical substantiation for the non-linear influence exerted by DT on green innovation. Furthermore, it imparts insights into the mechanisms and contextual limitations governing this association.


Assuntos
Revelação , Aprendizado de Máquina , China , Indústrias , Incerteza
7.
J Environ Manage ; 367: 121979, 2024 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-39088904

RESUMO

Cadmium (Cd) is readily absorbed by tobacco and accumulates in the human body through smoke inhalation, posing threat to human health. While there have been many studies on the negative impact of cadmium in tobacco on human health, the specific adaptive mechanism of tobacco roots to cadmium stress is not well understood. In order to comprehensively investigate the effects of Cd stress on the root system of tobacco, the combination of transcriptomic, biochemical, and physiological methods was utilized. In this study, tobacco growth was significantly inhibited by 50 µM of Cd, which was mainly attributed to the destruction of root cellular structure. By comparing the transcriptome between CK and Cd treatment, there were 3232 up-regulated deferentially expressed genes (DEGs) and 3278 down-regulated DEGs. The obvious differential expression of genes related to the nitrogen metabolism, metal transporters and the transcription factors families. In order to mitigate the harmful effects of Cd, the root system enhances Cd accumulation in the cell wall, thereby reducing the Cd content in the cytoplasm. This result may be mediated by plant hormones and transcription factor (TF). Correlational statistical analysis revealed significant negative correlations between IAA and GA with cadmium accumulation, indicated by correlation coefficients of -0.91 and -0.93, respectively. Conversely, ABA exhibited a positive correlation with a coefficient of 0.96. In addition, it was anticipated that 3 WRKY TFs would lead to a reduction in Cd accumulation. Our research provides a theoretical basis for the systematic study of the specific physiological processes of plant roots under Cd stress.


Assuntos
Cádmio , Reguladores de Crescimento de Plantas , Fatores de Transcrição , Transcriptoma , Cádmio/toxicidade , Cádmio/metabolismo , Fatores de Transcrição/metabolismo , Fatores de Transcrição/genética , Transcriptoma/efeitos dos fármacos , Reguladores de Crescimento de Plantas/metabolismo , Nicotiana/genética , Nicotiana/efeitos dos fármacos , Estresse Fisiológico , Raízes de Plantas/efeitos dos fármacos , Raízes de Plantas/metabolismo , Regulação da Expressão Gênica de Plantas/efeitos dos fármacos
8.
Toxicol Appl Pharmacol ; 466: 116449, 2023 05 01.
Artigo em Inglês | MEDLINE | ID: mdl-36924898

RESUMO

Intensive and inefficient exploitation of pesticides through modernized agricultural practices has caused severe pesticide contamination problems to the environment and become a crucial problem over a few decades. Due to their highly toxic and persistent properties, they affect and get accumulated in non-target organisms, including microbes, algae, invertebrates, plants as well as humans, and cause severe issues. Considering pesticide problems as a significant issue, researchers have investigated several approaches to rectify the pesticide contamination problems. Several analyses have provided an extensive discussion on pesticide degradation but using specific technology for specific pesticides. However, in the middle of this time, cleaner techniques are essential for reducing pesticide contamination problems safely and environmentally friendly. As per the research findings, no single research finding provides concrete discussion on cleaner tactics for the remediation of contaminated sites. Therefore, in this review paper, we have critically discussed cleaner options for dealing with pesticide contamination problems as well as their advantages and disadvantages have also been reviewed. As evident from the literature, microbial remediation, phytoremediation, composting, and photocatalytic degradation methods are efficient and sustainable and can be used for treatment at a large scale in engineered systems and in situ. However, more study on the bio-integrated system is required which may be more effective than existing technologies.


Assuntos
Praguicidas , Humanos , Praguicidas/metabolismo , Agricultura , Biodegradação Ambiental , Tecnologia
9.
Environ Res ; 235: 116611, 2023 10 15.
Artigo em Inglês | MEDLINE | ID: mdl-37437863

RESUMO

The current study aims to investigate the influence of seasonal changes on the pollution loads of the sediment of a coastal area in terms of its physicochemical features. The research will focus on analyzing the nutrients, organic carbon and particle size of the sediment samples collected from 12 different sampling stations in 3 different seasons along the coastal area. Additionally, the study discusses about the impact of anthropogenic activities such as agriculture and urbanization and natural activities such as monsoon on the sediment quality of the coastal area. The nutrient changes in the sediment were found to be: pH (7.96-9.45), EC (2.89-5.23 dS/m), nitrogen (23.98-57.23 mg/kg), phosphorus (7.75-11.36 mg/kg), potassium (217-398 mg/kg), overall organic carbon (0.35-0.99%), and sediment proportions (8.91-9.3%). Several statistical methods were used to investigate changes in sediment quality. According to the three-way ANOVA test, the mean value of the sediments differs significantly with each season. It correlates significantly with principal factor analysis and cluster analysis across seasons, implying contamination from both natural and man-made sources. This study will contribute to developing effective management strategies for the protection and restoration of degraded coastal ecosystem.


Assuntos
Sedimentos Geológicos , Poluentes Químicos da Água , Humanos , Sedimentos Geológicos/análise , Estações do Ano , Ecossistema , Monitoramento Ambiental/métodos , Baías , Carbono/análise , Poluentes Químicos da Água/análise
10.
Environ Res ; 228: 115886, 2023 07 01.
Artigo em Inglês | MEDLINE | ID: mdl-37072082

RESUMO

Intoxication with methanol most commonly occurs as a consequence of ingesting, inhaling, or coming into contact with formulations that include methanol as a base. Clinical manifestations of methanol poisoning include suppression of the central nervous system, gastrointestinal symptoms, and decompensated metabolic acidosis, which is associated with impaired vision and either early or late blindness within 0.5-4 h after ingestion. After ingestion, methanol concentrations in the blood that are greater than 50 mg/dl should raise some concern. Ingested methanol is typically digested by alcohol dehydrogenase (ADH), and it is subsequently redistributed to the body's water to attain a volume distribution that is about equivalent to 0.77 L/kg. Moreover, it is removed from the body as its natural, unchanged parent molecules. Due to the fact that methanol poisoning is relatively uncommon but frequently involves a large number of victims at the same time, this type of incident occupies a special position in the field of clinical toxicology. The beginning of the COVID-19 pandemic has resulted in an increase in erroneous assumptions regarding the preventative capability of methanol in comparison to viral infection. More than 1000 Iranians fell ill, and more than 300 of them passed away in March of this year after they consumed methanol in the expectation that it would protect them from a new coronavirus. The Atlanta epidemic, which involved 323 individuals and resulted in the deaths of 41, is one example of mass poisoning. Another example is the Kristiansand outbreak, which involved 70 people and resulted in the deaths of three. In 2003, the AAPCC received reports of more than one thousand pediatric exposures. Since methanol poisoning is associated with high mortality rates, it is vital that the condition be addressed seriously and managed as quickly as feasible. The objective of this review was to raise awareness about the mechanism and metabolism of methanol toxicity, the introduction of therapeutic interventions such as gastrointestinal decontamination and methanol metabolism inhibition, the correction of metabolic disturbances, and the establishment of novel diagnostic/screening nanoparticle-based strategies for methanol poisoning such as the discovery of ADH inhibitors as well as the detection of the adulteration of alcoholic drinks by nanoparticles in order to prevent methanol poisoning. In conclusion, increasing warnings and knowledge about clinical manifestations, medical interventions, and novel strategies for methanol poisoning probably results in a decrease in the death load.


Assuntos
COVID-19 , Intoxicação , Humanos , Criança , Metanol/metabolismo , Metanol/toxicidade , Pandemias , Irã (Geográfico) , Intoxicação/terapia
11.
J Environ Manage ; 326(Pt A): 116742, 2023 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-36375437

RESUMO

The use of biosorption as a strategy for lowering the amount of pollution caused by heavy metals is particularly encouraging. In this investigation, a low-cost and efficient biosorbent, Inula Viscosa leaves were used to remove zinc ions (Zn2+) from synthetic wastewater. A Fourier transform infrared spectroscopy experiment, a scanning electron microscopy experiment, and an energy dispersive X-ray spectroscopy experiment were used to describe the support. Several different physicochemical factors, such as the beginning pH value, contact duration, initial zinc concentration, biosorbent dose, and temperature, were investigated in this study. When the Langmuir, Freundlich, Temkin, Toth, and Redlich-Peterson models were used to match the data from the Inula Viscosa leaves biosorption isotherms, it was found that the biosorption isotherms correspond most closely with the Langmuir isotherm. On the other hand, the kinetic biosorption process was investigated using pseudo-first-order, pseudo-second-order (PS2), and Elovich models. The PS2 model was the one that provided the most accurate description of the biosorption kinetics. The thermodynamics process shows the spontaneous and endothermic character of Zn2+ sorption on Inula Viscosa leaves, which also entails the participation of physical interactions. In addition, the atom-in-molecule analysis, density functional theory, and the conductor like screening model for real solvents, were used to investigate the relationship that exists between quantum calculations and experimental outcomes.


Assuntos
Inula , Poluentes Químicos da Água , Zinco/química , Águas Residuárias/análise , Adsorção , Poluentes Químicos da Água/química , Concentração de Íons de Hidrogênio , Cinética , Termodinâmica , Espectroscopia de Infravermelho com Transformada de Fourier
12.
Molecules ; 28(19)2023 Sep 28.
Artigo em Inglês | MEDLINE | ID: mdl-37836682

RESUMO

Persistent Organic Pollutants (POPs), particularly the indicator polychlorinated biphenyls (PCBs), were first quantified in water and sediments of two wadis, Boujemaâ and Seybouse, as well as in the effluents from a fertilizer and phytosanitary production industrial plant (Fertial). Since these contaminated discharges end in Annaba Bay (Algeria) in the Mediterranean Sea, with a significant level of contamination, all the potential sources should be identified. In this work, this task is conducted by a multivariate analysis. Liquid-liquid extraction and gas chromatography/mass spectrometry (GC-MS) methods were applied to quantify seven PCB congeners, usually taken as indicators of contamination. The sum of the PCB concentrations in the sediments ranged from 1 to 6.4 µg/kg dw (dry weight) and up to 0.027 µg/L in waters. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) were used for the multivariate analysis, indicating that the main sources of PCB emissions in the bay are urban/domestic and agricultural/industrial. The outfalls that mostly contribute to the pollution of the gulf are the Boujemaâ wadi, followed by the Seybouse wadi, and finally by the Fertial cluster and more precisely the annex basin of the plant. Although referring to a specific site of local importance, the work aims to present a procedure and a methodological analysis that can be potentially applicable to further case studies all over the world.


Assuntos
Bifenilos Policlorados , Poluentes Químicos da Água , Bifenilos Policlorados/análise , Argélia , Monitoramento Ambiental , Poluentes Químicos da Água/química , Baías , Sedimentos Geológicos/química
13.
Environ Res ; 215(Pt 2): 114314, 2022 12.
Artigo em Inglês | MEDLINE | ID: mdl-36116497

RESUMO

Nanoparticles are inevitable byproducts of modern industry. However, the environmental impacts arising from industrial applications of nanoparticles are largely under-reported. This study evaluated the ecotoxicological effects of aluminum oxide nanoparticles (Al2O3NP) and its influence on sulfacetamide (SA) biodegradation by a freshwater microalga, Scenedesmus obliquus. Although Al2O3NP showed limited toxicity effect on S. obliquus, we observed the toxicity attenuation aspect of Al2O3NP in a mixture of sulfacetamide on microalgae. The addition of 100 mg L-1 of Al2O3NP and 1 mg L-1 of SA reduced total chlorophyll by 23.3% and carotenoids by 21.6% in microalgal compared to control. The gene expression study demonstrated that ATPF0C, Lhcb1, HydA, and psbA genes responsible for ATP synthesis and the photosynthetic system were significantly downregulated, while the Tas gene, which plays a major role in biodegradation of organic xenobiotic chemicals, was significantly upregulated at 1 and 100 mg L-1 of Al2O3NP. The S. obliquus removed 16.8% of SA at 15 mg L-1 in 14 days. However, the removal was slightly enhanced (18.8%) at same concentration of SA in the presence of 50 mg L-1 Al2O3NP. This result proves the stability of sulfacetamide biodegradation capacity of S. obliquus in the presence of Al2O3NP co-contamination. The metabolic analysis showed that SA was degraded into simpler byproducts such as sulfacarbamide, sulfaguanidine, sulfanilamide, 4-(methyl sulfonyl)aniline, and N-hydroxy-benzenamine which have lower ecotoxicity than SA, demonstrating that the ecotoxicity of sulfacetamide has significantly decreased after the microalgal degradation, suggesting the environmental feasibility of microalgae-mediated wastewater technology. This study provides a deeper understanding of the impact of nanoparticles such as Al2O3NP on aquatic ecosystems.


Assuntos
Microalgas , Nanopartículas , Scenedesmus , Trifosfato de Adenosina/metabolismo , Trifosfato de Adenosina/farmacologia , Óxido de Alumínio/toxicidade , Carotenoides/metabolismo , Carotenoides/farmacologia , Clorofila/metabolismo , Clorofila/farmacologia , Ecossistema , Água Doce , Nanopartículas/toxicidade , Scenedesmus/metabolismo , Sulfacetamida/metabolismo , Sulfacetamida/farmacologia , Sulfaguanidina/metabolismo , Sulfaguanidina/farmacologia , Águas Residuárias , Xenobióticos/metabolismo
14.
Mar Drugs ; 20(9)2022 Sep 19.
Artigo em Inglês | MEDLINE | ID: mdl-36135775

RESUMO

SARS-CoV-2 is the causative agent of the COVID-19 pandemic. This in silico study aimed to elucidate therapeutic efficacies against SARS-CoV-2 of phyco-compounds from the seaweed, Ulva fasciata. Twelve phyco-compounds were isolated and toxicity was analyzed by VEGA QSAR. Five compounds were found to be nonmutagenic, noncarcinogenic and nontoxic. Moreover, antiviral activity was evaluated by PASS. Binding affinities of five of these therapeutic compounds were predicted to possess probable biological activity. Fifteen SARS-CoV-2 target proteins were analyzed by the AutoDock Vina program for molecular docking binding energy analysis and the 6Y84 protein was determined to possess optimal binding affinities. The Desmond program from Schrödinger's suite was used to study high performance molecular dynamic simulation properties for 3,7,11,15-Tetramethyl-2-hexadecen-1-ol-6Y84 for better drug evaluation. The ligand with 6Y84 had stronger binding affinities (-5.9 kcal/mol) over two standard drugs, Chloroquine (-5.6 kcal/mol) and Interferon α-2b (-3.8 kcal/mol). Swiss ADME calculated physicochemical/lipophilicity/water solubility/pharmacokinetic properties for 3,7,11,15-Tetramethyl-2-hexadecen-1-ol, showing that this therapeutic agent may be effective against SARS-CoV-2.


Assuntos
Antivirais , SARS-CoV-2 , Ulva , Antivirais/química , Antivirais/farmacologia , Cloroquina , Álcoois Graxos/química , Álcoois Graxos/farmacologia , Humanos , Interferon-alfa , Ligantes , Simulação de Acoplamento Molecular , Simulação de Dinâmica Molecular , Inibidores de Proteases/química , SARS-CoV-2/efeitos dos fármacos , Terpenos/química , Terpenos/farmacologia , Ulva/química , Tratamento Farmacológico da COVID-19
15.
Int J Mol Sci ; 23(5)2022 Mar 04.
Artigo em Inglês | MEDLINE | ID: mdl-35269972

RESUMO

Density functional theory (DFT), time-dependent density functional theory (TDDFT), quantum theory of atoms in molecules (QTAIM), and extended transition state natural orbitals for chemical valence (ETS-NOCV) have all been used to investigate the physicochemical and biological properties of curcumin and three complexes, i.e., Cur-M (M = Ni, Cu, and Mg). Based on DFT calculations, the enolic form (Cur-Enol) is more stable than the anti-diketone form (Cur-Anti diketone) favored for complexation. This enolic form stability was explained by the presence of three intramolecular hydrogen bonds according to the QTAIM analysis. Furthermore, the ETS-NOCV technique revealed that the enolic form had more significant antioxidant activity compared with the anti-diketone form. The calculations from the COnductor-like Screening MOdel for Realistic Solvents (COSMO-RS) showed that the dimethyl sulfoxide (DMSO) solvent could dissolve all the curcumin tautomers Cur-Enol, Cur-Anti-diketone and Cur-Cu, Cur-Mg, and Cur-Ni complexes in contrast to benzene, acetone, octanol, ethanol, methanol, and water. Furthermore, except for Cur-Mg, which had a relatively low solubility (14 g/L), all complexes were insoluble in water. Cur-Anti-diketone was considerably more soluble than Cur-Enol in the examined solvents.


Assuntos
Curcumina , Curcumina/química , Curcumina/farmacologia , Cetonas , Teoria Quântica , Solubilidade , Solventes/química , Água
16.
J Environ Manage ; 305: 114393, 2022 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-34979359

RESUMO

This work employed a unique kind of vinicultural biomass (grape residues) to generate fermentative hydrogen. This form of biomass serves two purposes (contains substrate and inoculum). Four mathematical model methods were established; these models were used to represent the fluctuation of hydrogen generation and other fermentation products (organic acids, alcohols), the consumption of substrates included in biomass, and bacterial growth. One of these models was verified using experimental data and used to represent all of the metabolic pathways of bacteria contained in the medium and the interaction between products and substrates. The optimal biomass load, 60 g COD (Chemical Oxygen Demand)/L with a concentration of 0.22 mol of hexose and 0.0444 mol of tartrate offers the best hydrogen yield.


Assuntos
Reatores Biológicos , Hidrogênio , Análise da Demanda Biológica de Oxigênio , Biomassa , Fermentação , Hidrogênio/análise
17.
Environ Res ; 200: 111373, 2021 09.
Artigo em Inglês | MEDLINE | ID: mdl-34033834

RESUMO

The recent spread of severe acute respiratory syndrome coronavirus (SAR-CoV-2) and the accompanied coronavirus disease 2019 (COVID-19) has continued ceaselessly despite the implementations of popular measures, which include social distancing and outdoor face masking as recommended by the World Health Organization. Due to the unstable nature of the virus, leading to the emergence of new variants that are claimed to be more and rapidly transmissible, there is a need for further consideration of the alternative potential pathways of the virus transmissions to provide the needed and effective control measures. This review aims to address this important issue by examining the transmission pathways of SARS-CoV-2 via indirect contacts such as fomites and aerosols, extending to water, food, and other environmental compartments. This is essentially required to shed more light regarding the speculation of the virus spread through these media as the available information regarding this is fragmented in the literature. The existing state of the information on the presence and persistence of SARS-CoV-2 in water-food-environmental compartments is essential for cause-and-effect relationships of human interactions and environmental samples to safeguard the possible transmission and associated risks through these media. Furthermore, the integration of effective remedial measures previously used to tackle the viral outbreaks and pandemics, and the development of new sustainable measures targeting at monitoring and curbing the spread of SARS-CoV-2 were emphasized. This study concluded that alternative transmission pathways via human interactions with environmental samples should not be ignored due to the evolving of more infectious and transmissible SARS-CoV-2 variants.


Assuntos
COVID-19 , SARS-CoV-2 , Humanos , Pandemias , Água
18.
J Environ Manage ; 285: 112174, 2021 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-33607566

RESUMO

Chromium (Cr) is a trace element critical to human health and well-being. In the last few decades, its contamination, especially hexavalent chromium [Cr(VI)] form in both terrestrial and aquatic ecosystems, has amplified as a result of various anthropogenic activities. Chromium pollution is a significant environmental threat, severely impacting our environment and natural resources, especially water and soil. Excessive exposure could lead to higher levels of accumulation in human and animal tissues, leading to toxic and detrimental health effects. Several studies have shown that chromium is a toxic element that negatively affects plant metabolic activities, hampering crop growth and yield and reducing vegetable and grain quality. Thus, it must be monitored in water, soil, and crop production system. Various useful and practical remediation technologies have been emerging in regulating chromium in water, soil, and other resources. A sustainable remediation approach must be adopted to balance the environment and nature.


Assuntos
Recuperação e Remediação Ambiental , Poluentes do Solo , Animais , Cromo/análise , Ecossistema , Saúde Ambiental , Humanos , Solo , Poluentes do Solo/análise
19.
Molecules ; 26(17)2021 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-34500745

RESUMO

Amongst the countless marine organisms, seaweeds are considered as one of the richest sources of biologically active ingredients having powerful biological activities. Seaweeds or marine macroalgae are macroscopic multicellular eukaryotic photosynthetic organisms and have the potential to produce a large number of valuable compounds, such as proteins, carbohydrates, fatty acids, amino acids, phenolic compounds, pigments, etc. Since it is a prominent source of bioactive constituents, it finds diversified industrial applications viz food and dairy, pharmaceuticals, medicinal, cosmeceutical, nutraceutical, etc. Moreover, seaweed-based cosmetic products are risen up in their demands by the consumers, as they see them as a promising alternative to synthetic cosmetics. Normally it contains purified biologically active compounds or extracts with several compounds. Several seaweed ingredients that are useful in cosmeceuticals are known to be effective alternatives with significant benefits. Many seaweeds' species demonstrated skin beneficial activities, such as antioxidant, anti-melanogenesis, antiaging, photoprotection, anti-wrinkle, moisturizer, antioxidant, anti-inflammatory, anticancer and antioxidant properties, as well as certain antimicrobial activities, such as antibacterial, antifungal and antiviral activities. This review presents applications of bioactive molecules derived from marine algae as a potential substitute for its current applications in the cosmetic industry. The biological activities of carbohydrates, proteins, phenolic compounds and pigments are discussed as safe sources of ingredients for the consumer and cosmetic industry.


Assuntos
Anti-Infecciosos/farmacologia , Anti-Inflamatórios/farmacologia , Antineoplásicos/farmacologia , Antioxidantes/farmacologia , Cosmecêuticos/farmacologia , Cosméticos/química , Anti-Infecciosos/química , Anti-Inflamatórios/química , Antineoplásicos/química , Antioxidantes/química , Cosmecêuticos/química , Humanos , Alga Marinha/química
20.
Molecules ; 26(24)2021 Dec 11.
Artigo em Inglês | MEDLINE | ID: mdl-34946597

RESUMO

Cosmetic industries are highly committed to finding natural sources of functional active constituents preferable to safer materials to meet consumers' demands. Marine macroalgae have diversified bioactive constituents and possess potential benefits in beauty care products. Hence, the present study was carried out to characterize the biochemical profile of marine macroalga Chaetomorpha crassa by using different techniques for revealing its cosmetic potentials. In results, the FTIR study characterized the presence of different bioactive functional groups that are responsible for many skin-beneficial compounds whereas six and fifteen different important phycocompounds were found in GCMS analysis of ethanolic and methanolic extracts, respectively. In the saccharide profile of C. crassa, a total of eight different carbohydrate derivatives were determined by the HRLCMS Q-TOF technique, which showed wide varieties of cosmetic interest. In ICP AES analysis, Si was found to be highest whereas Cu was found to be lowest among other elements. A total of twenty-one amino acids were measured by the HRLCMS-QTOF technique, which revealed the highest amount of the amino acid, Aspartic acid (1207.45 nmol/mL) and tyrosine (106.77 nmol/mL) was found to be the lowest in amount among other amino acids. Their cosmetic potentials have been studied based on previous research studies. The incorporation of seaweed-based bioactive components in cosmetics has been extensively growing due to its skin health-promoting effects.


Assuntos
Aminoácidos/farmacologia , Cosméticos/farmacologia , Ácidos Graxos/farmacologia , Minerais/farmacologia , Polissacarídeos/farmacologia , Pele/efeitos dos fármacos , Aminoácidos/química , Cromatografia Líquida de Alta Pressão , Cosméticos/química , Ácidos Graxos/química , Humanos , Minerais/química , Polissacarídeos/química , Alga Marinha/química , Espectrometria de Massas em Tandem
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