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1.
J Transl Med ; 22(1): 726, 2024 Aug 05.
Artículo en Inglés | MEDLINE | ID: mdl-39103897

RESUMEN

Accurate survival prediction for Non-Small Cell Lung Cancer (NSCLC) patients remains a significant challenge for the scientific and clinical community despite decades of advanced analytics. Addressing this challenge not only helps inform the critical aspects of clinical study design and biomarker discovery but also ensures that the 'right patient' receives the 'right treatment'. However, survival prediction is a highly complex task, given the large number of 'omics; and clinical features, as well as the high degree of freedom that drive patient survival. Prior knowledge could play a critical role in uncovering the complexity of a disease and understanding the driving factors affecting a patient's survival. We introduce a methodology for incorporating prior knowledge into machine learning-based models for prediction of patient survival through Knowledge Graphs, demonstrating the advantage of such an approach for NSCLC patients. Using data from patients treated with immuno-oncologic therapies in the POPLAR (NCT01903993) and OAK (NCT02008227) clinical trials, we found that the use of knowledge graphs yielded significantly improved hazard ratios, including in the POPLAR cohort, for models based on biomarker tumor mutation burden compared with those based on knowledge graphs. Use of a model-defined mutational 10-gene signature led to significant overall survival differentiation for both trials. We provide parameterized code for incorporating knowledge graphs into survival analyses for use by the wider scientific community.


Asunto(s)
Biomarcadores de Tumor , Carcinoma de Pulmón de Células no Pequeñas , Neoplasias Pulmonares , Aprendizaje Automático , Carcinoma de Pulmón de Células no Pequeñas/genética , Carcinoma de Pulmón de Células no Pequeñas/mortalidad , Carcinoma de Pulmón de Células no Pequeñas/patología , Humanos , Neoplasias Pulmonares/genética , Neoplasias Pulmonares/mortalidad , Neoplasias Pulmonares/patología , Análisis de Supervivencia , Pronóstico , Modelos de Riesgos Proporcionales , Gráficos por Computador , Mutación/genética , Conocimiento
2.
Environ Res ; 259: 119448, 2024 Jun 27.
Artículo en Inglés | MEDLINE | ID: mdl-38942255

RESUMEN

Dye wastewater consists of high solids concentrations, heavy metals, minor contaminants, dissolved chemical oxygen demand, and microorganisms. Nanoflowers are nanoparticles that resemble flowers when viewed at a microscopic level. Inorganic metal oxide nanoflowers have been discovered to be a potential source for overcoming this situation. Their flower-like features give them a higher surface area to volume ratio and porosity structure, which can absorb a significant amount of dye. The metal oxide nanoflower synthesized from different synthesis methods is used to compare which one is cost-effective and capable of generating a large scale of nanoflower. This review has demonstrated outstanding dye removal efficiency by applying inorganic nanoflowers to dye removal. Since both adsorption and photocatalytic reactions enhance the dye degradation process, complete dye degradation could be achieved. Meanwhile, the inorganic metal oxide nanoflowers' exemplary reusability characteristics with negligible performance drop further prove that this approach is highly sustainable and may help to save costs. This review has proven the momentum of obtaining high dye removal efficiency in wastewater treatment to conclude that the metal oxide nanoflower study is worth researching.

3.
J Environ Manage ; 353: 120170, 2024 Feb 27.
Artículo en Inglés | MEDLINE | ID: mdl-38308991

RESUMEN

The stress of pharmaceutical and personal care products (PPCPs) discharging to water bodies and the environment due to increased industrialization has reduced the availability of clean water. This poses a potential health hazard to animals and human life because water contamination is a great issue to the climate, plants, humans, and aquatic habitats. Pharmaceutical compounds are quantified in concentrations ranging from ng/Lto µg/L in aquatic environments worldwide. According to (Alsubih et al., 2022), the concentrations of carbamazepine, sulfamethoxazole, Lutvastatin, ciprofloxacin, and lorazepam were 616-906 ng/L, 16,532-21635 ng/L, 694-2068 ng/L, 734-1178 ng/L, and 2742-3775 ng/L respectively. Protecting and preserving our environment must be well-driven by all sectors to sustain development. Various methods have been utilized to eliminate the emerging pollutants, such as adsorption and biological and advanced oxidation processes. These methods have their benefits and drawbacks in the removal of pharmaceuticals. Successful wastewater treatment can save the water bodies; integrating green initiatives into the main purposes of actor firms, combined with continually periodic awareness of the current and potential implications of environmental/water pollution, will play a major role in water conservation. This article reviews key publications on the adsorption, biological, and advanced oxidation processes used to remove pharmaceutical products from the aquatic environment. It also sheds light on the pharmaceutical adsorption capability of adsorption, biological and advanced oxidation methods, and their efficacy in pharmaceutical concentration removal. A research gap has been identified for researchers to explore in order to eliminate the problem associated with pharmaceutical wastes. Therefore, future study should focus on combining advanced oxidation and adsorption processes for an excellent way to eliminate pharmaceutical products, even at low concentrations. Biological processes should focus on ideal circumstances and microbial processes that enable the simultaneous removal of pharmaceutical compounds and the effects of diverse environments on removal efficiency.


Asunto(s)
Cosméticos , Contaminantes Químicos del Agua , Purificación del Agua , Humanos , Aguas Residuales , Contaminantes Químicos del Agua/análisis , Cosméticos/análisis , Purificación del Agua/métodos , Agua , Preparaciones Farmacéuticas
4.
AAPS PharmSciTech ; 25(6): 145, 2024 Jun 25.
Artículo en Inglés | MEDLINE | ID: mdl-38918292

RESUMEN

The objective of the current research was to develop abietic acid (AA)-loaded hybrid polymeric nanoparticles (HNPs) for anti-inflammatory and antioxidant activity after oral administration. AAHNPs were developed by microinjection technique and optimized by 3-factor 3-level Box-Behnken design. The AAHNPs were evaluated for morphology, FTIR, X-ray diffraction, in-vitro release, ex-vivo permeation, in-vitro antioxidant, and in-vivo anti-inflammatory activity. The optimized AAHNPs (AAHNPsopt) displayed 384.5 ± 6.36nm of PS, 0.376 of PDI, 23.0 mV of ZP, and 80.01 ± 1.89% of EE. FTIR and X-ray diffraction study results revealed that AA was encapsulated into a HNPs matrix. The AAHNPsopt showed significant (P < 0.05) high and sustained release of AA (86.72 ± 4.92%) than pure AA (29.87 ± 3.11%) in 24h. AAHNPsopt showed an initial fast release of AA (20.12 ± 3.07% in 2h), which succeeded in reaching the therapeutic concentration. The AAHNPsopt showed 2.49-fold higher ex-vivo gut permeation flux than pure AA due to the presence of lipid and surfactant. The AAHNPsopt exhibited significantly (P < 0.05, P < 0.01, P < 0.001) higher antioxidant activity as compared to pure AA at each concentration. AAHNPsopt formulation displayed a significantly (P < 0.05) higher anti-inflammatory effect (21.51 ± 2.23% swelling) as compared to pure AA (46.51 ± 1.74% swelling). From the in-vitro and in-vivo finding, it was concluded that HNPs might be a suitable carrier for the improvement of the therapeutic efficacy of the drug.


Asunto(s)
Abietanos , Antiinflamatorios , Antioxidantes , Portadores de Fármacos , Lípidos , Nanopartículas , Polímeros , Nanopartículas/química , Animales , Antioxidantes/farmacología , Antioxidantes/química , Antioxidantes/administración & dosificación , Antioxidantes/farmacocinética , Ratas , Polímeros/química , Antiinflamatorios/farmacología , Antiinflamatorios/química , Antiinflamatorios/administración & dosificación , Antiinflamatorios/farmacocinética , Lípidos/química , Portadores de Fármacos/química , Abietanos/farmacología , Abietanos/administración & dosificación , Abietanos/química , Difracción de Rayos X/métodos , Liberación de Fármacos , Administración Oral , Masculino , Tamaño de la Partícula , Ratas Wistar , Química Farmacéutica/métodos
5.
Funct Integr Genomics ; 23(2): 195, 2023 Jun 04.
Artículo en Inglés | MEDLINE | ID: mdl-37270446

RESUMEN

Noncoding RNAs (ncRNAs), which make up a significant portion of the mammalian transcriptome and plays crucial regulatory roles in expression of genes and other biological processes, have recently been found. The most extensively researched of the sncRNAs, microRNAs (miRNAs), have been characterized in terms of their synthesis, roles, and significance in the tumor development. Its crucial function in the stem cell regulation, another class of sncRNAs known as aspirRNAs, has attracted attention in cancer research. The investigations have shown that long non-coding RNAs have a crucial role in controlling developmental stages, such as mammary gland development. Additionally, it has been discovered that lncRNA dysregulation precedes the development of several malignancies, including breast cancer. The functions of sncRNAs (including miRNAs and piRNAs) and lncRNAs in the onset and development of the breast cancer are described in this study. Additionally, future perspectives of various ncRNA-based diagnostic, prognostic, and therapeutic approaches also discussed.


Asunto(s)
Neoplasias de la Mama , MicroARNs , ARN Largo no Codificante , Animales , Humanos , Femenino , Neoplasias de la Mama/diagnóstico , Neoplasias de la Mama/epidemiología , Neoplasias de la Mama/genética , Pronóstico , Prevalencia , ARN no Traducido/genética , MicroARNs/genética , MicroARNs/metabolismo , ARN Largo no Codificante/genética , ARN Largo no Codificante/metabolismo , Biomarcadores , Mamíferos/genética , Mamíferos/metabolismo
6.
Small ; 19(51): e2208209, 2023 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-37096900

RESUMEN

Hydrogen peroxide (H2 O2 ) is a primary reactive oxygen species (ROS) that can act as a chemical signal in developing and progressing serious and life-threatening diseases like cancer. Due to the stressful nature of H2 O2 , there is an urgent need to develop sensitive analytical approaches to be applied to various biological matrices. Herein, a portable point-of-care electrochemical system based on MXene-Co3 O4 nanocomposites to detect H2 O2 in different cancer cell-lines is presented. The developed sensor is affordable, disposable, and highly selective for H2 O2 detection. This approach achieves a dynamic linear range of 75 µm with a LOD of 0.5 µm and a LOQ of 1.6 µm. To improve the practical application, the level of ROS is evaluated both in cancer cell lines MDA-MB-231 and DU145, respectively, to breast and prostate cancers, and in healthy HaCat cells. Moreover, the same cancer cells are treated with transforming growth factor-ß1, and MXene-Co3 O4 modified strip is capable to monitorROS variation. The results are satisfactory compared with the cellular ROS fluorescent assay based on DCFH/DCFH-DA. These results open new perspectives for real-time monitoring of cancer progression and the efficacy of the therapy.


Asunto(s)
Nanocompuestos , Neoplasias , Masculino , Humanos , Especies Reactivas de Oxígeno , Peróxido de Hidrógeno/metabolismo , Neoplasias/tratamiento farmacológico
7.
Environ Res ; 219: 115089, 2023 02 15.
Artículo en Inglés | MEDLINE | ID: mdl-36529332

RESUMEN

In the present work, the synthesis of cellulose nanowhiskers (CNW)/chitosan nanocomposite films via deep eutectic solvents (DES) changing the chemical structures were carried out. It was observed that a pure chitosan film has broadband at 3180-3400 cm-1, indicating amide and hydroxyl groups. Upon CNW incorporation, the peak gets sharper and stronger and shifts to a greater wavelength. Further, the addition of DES infuses more elements of amide into the nanocomposite films. Moreover, the mechanical properties incorporating CNW filler into a chitosan matrix show an enhancement in tensile strength (TS), Young's modulus (YM), and elongation at break. The TS and YM increase while the elongation decrease as the CNW concentration increases. The YM of biocomposite films is increased to 723 MPa at 25% CNW into chitosan films. Besides, the TS has enhanced to 11.48 MPa at 15% CNW concentration in the biocomposite films. The elongation at break has decreased to 11.7% at 25% CNW concentration. Hence, incorporating CNW into the chitosan matrix via DES can still improve the mechanical properties of the nanocomposite films. Therefore, the application of DES results in a lower YM and TS as the films are hygroscopic. In conclusion, DES can be considered the new green solvent media for synthesizing materials. It has the potential to replace ionic liquids due to its biodegradability and non-toxic properties while preserving the character of low-vapour pressure. Besides that, chitosan can be used as potential material for applications in process industries, such as the biomedical and pharmaceutical industries. Thus, DES can be used as a green solvent and aim to reduce the toxic effect of chemicals on the environment during chemical production.


Asunto(s)
Quitosano , Nanocompuestos , Celulosa/química , Quitosano/química , Disolventes Eutécticos Profundos , Solventes , Nanocompuestos/química
8.
Environ Res ; 220: 115169, 2023 03 01.
Artículo en Inglés | MEDLINE | ID: mdl-36587722

RESUMEN

To date, the development of renewable fuels has become a normal phenomenon to solve the problem of diesel fuel emissions and the scarcity of fossil fuels. Biodiesel production has some limitations, such as two-step processes requiring high free fatty acids (FFAs), oil feedstocks and gum formation. Hydrotreated vegetable oil (HVO) is a newly developed international renewable diesel that uses renewable feedstocks via the hydrotreatment process. Unlike FAME, FFAs percentage doesn't affect the HVO production and sustains a higher yield. The improved characteristics of HVO, such as a higher cetane value, better cold flow properties, lower emissions and excellent oxidation stability for storage, stand out from FAME biodiesel. Moreover, HVO is a hydrocarbon without oxygen content, but FAME is an ester with 11% oxygen content which makes it differ in oxidation stability. Waste sludge palm oil (SPO), an abundant non-edible industrial waste, was reused and selected as the feedstock for HVO production. Techno-economical and energy analyses were conducted for HVO production using Aspen HYSYS with a plant capacity of 25,000 kg/h. Alternatively, hydrogen has been recycled to reduce the hydrogen feed. With a capital investment of RM 65.86 million and an annual production cost of RM 332.56 million, the base case of the SPO-HVO production process was more desirable after consideration of all economic indicators and HVO purity. The base case of SPO-HVO production could achieve a return on investment (ROI) of 89.03% with a payback period (PBP) of 1.68 years. The SPO-HVO production in this study has observed a reduction in the primary greenhouse gas, carbon dioxide (CO2) emission by up to 90% and the total annual production cost by nearly RM 450 million. Therefore, SPO-HVO production is a potential and alternative process to produce biobased diesel fuels with waste oil.


Asunto(s)
Aceites de Plantas , Aguas del Alcantarillado , Aceite de Palma , Emisiones de Vehículos , Biocombustibles/análisis , Gasolina/análisis , Hidrógeno , Oxígeno
9.
Environ Res ; 224: 115527, 2023 05 01.
Artículo en Inglés | MEDLINE | ID: mdl-36822539

RESUMEN

Bacterial strains belonging to Citrobacter spp. were reported to produce polysaccharides consisting of N-acetylglucosamine and glucosamine like chitosan, with high flocculation activity. In this work, the flocculation dewatering performance of activated sludge conditioned by a novel cationic chitosan-like bioflocculant (BF) named BF01314, produced from Citrobacter youngae GTC 01314, was evaluated under the influences of flocculant dosage, pH, and temperature. At BF dosage as low as 0.5 kg/t DS, the sludge dewaterability was significantly enhanced in comparison to the raw (untreated) sludge, featuring well-flocculated characteristic (reduction in CST from 22.0 s to 9.4 s) and good sludge filterability with reduced resistance (reduction in SRF by one order from 7.42 × 1011 to 9.59 × 1010 m/kg) and increased compactness of sludge (increase in CSC from 15.2 to 23.2%). Besides, the BF demonstrated comparable high sludge dewatering performance within the pH range between 2 and 8, and temperature range between 25 °C and 80 °C. Comparison between the BF, the pristine chitosan and the commercial cationic copolymer MF 7861 demonstrated equivalent performance with enhanced dewaterability at the dosage between 2.0 and 3.0 kg/t DS. Besides, the BF demonstrated strong flocculation activity (>99%) when added to the sludge suspension using moderate to high flocculation speeds (100-200 rpm) with at least 3-min mixing time. The BF's reaction in sludge flocculation was best fitted with a pseudo first-order kinetic model. Electrostatic charge patching and polymer bridging mechanisms are believed to be the dominant mechanistic phenomena during the BF's sludge conditioning process (coagulation-flocculation).


Asunto(s)
Quitosano , Aguas del Alcantarillado , Cinética , Citrobacter , Floculación , Polímeros , Eliminación de Residuos Líquidos , Agua , Filtración
10.
Environ Res ; 236(Pt 1): 116646, 2023 Nov 01.
Artículo en Inglés | MEDLINE | ID: mdl-37481054

RESUMEN

The mutating SARS-CoV-2 necessitates gauging the role of airborne particulate matter in the COVID-19 outbreak for designing area-specific regulation modalities based on the environmental state-of-affair. To scheme the protocols, the hotspots of air pollutants such as PM2.5, PM10, NH3, NO, NO2, SO2, and and environmental factors including relative humidity (RH), and temperature, along with COVID-19 cases and mortality from January 2020 till December 2020 from 29 different ground monitoring stations spanning Delhi, are mapped. Spearman correlation coefficients show a positive relationship between SARS-COV-2 with particulate matter (PM2.5 with r > 0.36 and PM10 with r > 0.31 and p-value <0·001). Besides, SARS-COV-2 transmission showed a substantial correlation with NH3 (r = 0.41), NO2 (r = 0.36), and NO (r = 0.35) with a p-value <0.001, which is highly indicative of their role in SARS-CoV-2 transmission. These outcomes are associated with the source of PM and its constituent trace elements to understand their overtone with COVID-19. This strongly validates temporal and spatial variation in COVID-19 dependence on air pollutants as well as on environmental factors. Besides, the bottlenecks of missing latent data, monotonous dependence of variables, and the role air pollutants with secondary environmental variables are discussed. The analysis set the foundation for strategizing regional-based modalities considering environmental variables (i.e., pollutant concentration, relative humidity, temperature) as well as urban and transportation planning for efficient control and handling of future public health emergencies.

11.
Molecules ; 28(13)2023 Jul 04.
Artículo en Inglés | MEDLINE | ID: mdl-37446854

RESUMEN

Ionogels are hybrid materials comprising an ionic liquid confined within a polymer matrix. They have garnered significant interest due to their unique properties, such as high ionic conductivity, mechanical stability, and wide electrochemical stability. These properties make ionogels suitable for various applications, including energy storage devices, sensors, and solar cells. However, optimizing the electrochemical performance of ionogels remains a challenge, as the relationship between specific capacitance, ionic conductivity, and electrolyte solution concentration is yet to be fully understood. In this study, we investigate the impact of electrolyte solution concentration on the electrochemical properties of ionogels to identify the correlation for enhanced performance. Our findings demonstrate a clear relationship between the specific capacitance and ionic conductivity of ionogels, which depends on the availability of mobile ions. The reduced number of ions at low electrolyte solution concentrations leads to decreased ionic conductivity and specific capacitance due to the scarcity of a double layer, constraining charge storage capacity. However, at a 31 vol% electrolyte solution concentration, an ample quantity of ions becomes accessible, resulting in increased ionic conductivity and specific capacitance, reaching maximum values of 58 ± 1.48 µS/cm and 45.74 F/g, respectively. Furthermore, the synthesized ionogel demonstrates a wide electrochemical stability of 3.5 V, enabling diverse practical applications. This study provides valuable insights into determining the optimal electrolyte solution concentration for enhancing ionogel electrochemical performance for energy applications. It highlights the impact of ion pairs and aggregates on ion mobility within ionogels, subsequently affecting their resultant electrochemical properties.


Asunto(s)
Electrólitos , Líquidos Iónicos , Capacidad Eléctrica , Conductividad Eléctrica , Polímeros
12.
Molecules ; 28(3)2023 Jan 30.
Artículo en Inglés | MEDLINE | ID: mdl-36770968

RESUMEN

Cisplatin (CP) is a platinum compound of the alkylating agent class that is used for the treatment of various types of cancer. However, CP treatments in cancer patients are accountable for nephrotoxicity, as it is a major adverse effect. Hence, this research study was proposed to investigate the nephroprotective effect of diosmin, a flavonoid glycoside of hesperidin derivatives against cisplatin-induced kidney damage. Wistar rats received a single intraperitoneal (i.p) injection of CP (7.5 mg/kg, i.p) to induce nephrotoxicity. The administration of CP significantly (p < 0.001) increased the markers of kidney function test (creatinine, blood urea nitrogen, and uric acid) and demonstrated histopathological changes in the kidney of the CP-treated nephrotoxic group. In addition, the CP-treated nephrotoxic group demonstrated a significant (p < 0.001) increase in lipid peroxidation (LPO) levels and depleted activities of reduced glutathione (GSH), glutathione peroxidase (GPx), glutathione reductase (GR), superoxide dismutase (SOD) and catalase (CAT).However, diosmin (100 and 200 mg/kg) treatments significantly reduced the elevated levels of kidney function test parameters and restored structural changes in the kidney (p < 0.001). The administration of diosmin (100 and 200 mg/kg) significantly (p < 0.001) reduced LPO levels, increased GSH content and showed improvements in the activities of GPx, GR, SOD and CAT. The markers of inflammatory cytokines such as IL-1ß, IL-6 and TNFα significantly (p < 0.001) increased in the CP-treated nephrotoxic group, whereas diosmin (100 and 200 mg/kg) treatments significantly (p < 0.001) reduced the elevated levels of these cytokines. The findings of this research demonstrate the nephroprotective effect of diosmin against CP-induced kidney damage. Therefore, we conclude that diosmin may be used as a supplement in the management of nephrotoxicity associated with CP treatments in cancer patients.


Asunto(s)
Diosmina , Enfermedades Renales , Ratas , Animales , Cisplatino/farmacología , Interleucina-6/metabolismo , Diosmina/farmacología , Factor de Necrosis Tumoral alfa/metabolismo , Ratas Wistar , Riñón , Enfermedades Renales/inducido químicamente , Enfermedades Renales/tratamiento farmacológico , Enfermedades Renales/prevención & control , Estrés Oxidativo , Antioxidantes/farmacología , Citocinas/metabolismo , Superóxido Dismutasa/metabolismo , Glutatión Peroxidasa/metabolismo
13.
Cell Mol Biol (Noisy-le-grand) ; 68(7): 14-21, 2022 Jul 31.
Artículo en Inglés | MEDLINE | ID: mdl-36495525

RESUMEN

The current article deals with the in-silico along with enzyme kinetics approach to search for a prominent AChE enzyme inhibitor among the known natural compounds. The computational tools were involved for this purpose and eventual vincamine, a monoterpenoid indole alkaloid, was selected based on several parameters, including free energy of binding (-10.77 kcal/mol) and ADME parameter. Computationally, it confirmed the interaction between vincamine and AChE at an indistinguishable locus from that of substrate AChI (-3.94 kcal/mol) but with much higher binding energy. Interestingly, amino acid residues Gly120, Gly121, Gly122, Glu202, Trp86, Tyr133, Ser203, Phe297, and His447 of AChE were found to be common in these interactions. Further, these findings were approved with wet lab tests where detailed kinetics was studied. It was found that vincamine inhibited AChE with the inhibition constant Ki (239 µM). The value of  IC50 (239 µM) and KM (0.598 mM) was determined and further confirmed by Dixon, Lineweaver- Burk reciprocal, Hanes, and Eadie- Hofstee plots, respectively. The mode of interaction of the compound was found to be competitive for AChE. Thus, the present computational and enzyme kinetics studies conclude that vincamine can be a promising inhibitor of AChE for the effective management of AD.


Asunto(s)
Acetilcolinesterasa , Vincamina , Acetilcolinesterasa/metabolismo , Inhibidores de la Colinesterasa/farmacología , Inhibidores de la Colinesterasa/química , Cinética , Inhibidores Enzimáticos
14.
Cell Mol Biol (Noisy-le-grand) ; 67(4): 106-114, 2022 Jan 02.
Artículo en Inglés | MEDLINE | ID: mdl-35809297

RESUMEN

Alzheimer's disease is a chronic neurodegenerative ailment and the most familiar type of dementia in the older population with no effective cure to date. It is characterized by a decrease in memory, associated with the mutilation of cholinergic neurotransmission. Presently, acetylcholinesterase inhibitors have emerged as the most endorsed pharmacological medications for the symptomatic treatment of mild to moderate Alzheimer's disease. This study aimed to research the molecular enzymatic inhibition of human brain acetylcholinesterase by a natural compound emetine and I3M. Molecular docking studies were used to identify superior interaction between enzyme acetylcholinesterase and ligands. Furthermore, the docked acetylcholinesterase-emetine complex was validated statistically using an analysis of variance in all tested conformers. In this interaction, H-bond, hydrophobic interaction, pi-pi, and Cation-pi interactions played a vital function in predicting the accurate conformation of the ligand that binds with the active site of acetylcholinesterase. The conformer with the lowest free energy of binding was further analyzed. The binding energy for acetylcholinesterase complex with emetine and I3M was -9.72kcal/mol and -7.09kcal/mol, respectively. In the current study, the prediction was studied to establish a relationship between binding energy and intermolecular energy (coefficient of determination [R2 linear = 0.999), and intermolecular energy and Van der wall forces (R2 linear = 0.994). These results would be useful in gaining structural insight for designing novel lead compounds against acetylcholinesterase for the effective management of Alzheimer's disease.


Asunto(s)
Acetilcolinesterasa , Enfermedad de Alzheimer , Acetilcolinesterasa/química , Acetilcolinesterasa/metabolismo , Enfermedad de Alzheimer/metabolismo , Sitios de Unión , Encéfalo/metabolismo , Dominio Catalítico , Inhibidores de la Colinesterasa/química , Inhibidores de la Colinesterasa/metabolismo , Emetina/química , Emetina/metabolismo , Humanos , Indoles , Ligandos , Simulación del Acoplamiento Molecular
15.
Environ Res ; 214(Pt 4): 114149, 2022 11.
Artículo en Inglés | MEDLINE | ID: mdl-36007570

RESUMEN

Biodiesel is renewable, biodegradable, biocompatible (non-toxic) and environmentally friendly, which emits less pollution than traditional fossil-based diesel, making it the most promising and ideal option. However, biodiesel is facing many current issues, mostly related to the utilisation of homogeneous catalytic technology, and this circumstance obstructs its potential development and advancement. Therefore, new pathways for biodiesel production need to be explored, and the aforementioned issues need to be addressed. Recently, a study was conducted on the impregnated magnetic biochar derived from a waste palm kernel shell (PKS) catalyst that can replace conventional catalysts due to its reusability property. Nevertheless, the environmental impacts of impregnated magnetic biochar derived from waste PKS catalyst for biodiesel production are yet to be studied. This study focuses on the evaluation of the life cycle assessment (LCA) of palm-based cooking oil for biodiesel production catalysed by impregnated magnetic biochar derived from waste PKS. Simapro was used in this study to evaluate the impact assessment methodologies. Case 1 (6.64 × 102 Pt) has contributed less to environmental impacts than Case 2 (1.83 × 103 Pt). This indicates purchasing refined palm oil for biodiesel production may reduce environmental impacts by 64% compared to producing biodiesel from raw fruit bunches. In the midpoint assessment, the transesterification process was identified as the hotspot and marine aquatic ecotoxicity as the highest impact category with a value of 1.00 × 106 kg 1,4-DB eq for 1 tonne of biodiesel produced. The endpoint results showed that Case 1 revealed the greatest impact on the transesterification process, with cumulative damage of 461 Pt. Scenario without processing the raw palm fruit bunches to obtained palm oil was better than Case 2. Further research should be conducted on life cycle cost and sensitivity analysis to evaluate the economic feasibility and promote sustainable biodiesel production.


Asunto(s)
Biocombustibles , Aceites de Plantas , Animales , Catálisis , Carbón Orgánico , Estadios del Ciclo de Vida , Fenómenos Magnéticos , Aceite de Palma
16.
Drug Dev Res ; 83(1): 194-207, 2022 02.
Artículo en Inglés | MEDLINE | ID: mdl-34350600

RESUMEN

Nuclear factor kappa B cells (NF-κB) activation causes induction of the noncanonical IκB kinases (I-kappa-B kinase epsilon (IKKε) and TANK-binding kinase 1 (TBK1) in liver and fat after high fat diet which followed activating of cascade of counter-inflammation that conserves energy storage. Chrysin (5,7-dihydroxyflavone), a natural flavonoid, present in many plants, honey and propolis, used conventionally to treat numerous ailments. The present study was aimed to identify the protective role of chrysin on the glucose lowering and insulin sensitivity in diet induced obese (DIO) mice by regulating IKKε/TBK1. Chrysin administered therapeutically (60, 100, 200 mg/kg body weight) and preventive mode (200 mg/kg body weight) for 4 and 10 weeks respectively to DIO mice. At last fasting blood glucose, oral glucose tolerance test, serum lipid profile, as well as the expression level of IKKε/TBK1 and triglyceride in the liver tissue were assessed. DIO mice showed impaired glucose tolerance, reduced weight gain, elevated hepatic IKKε/TBK1 expression, fatty acid infiltration triglyceride and increased in plasma insulin and glucose. Chrysin in both therapeutic and preventive mode normalized the altered levels of the same. Overall chrysin improves glycemic control and insulin sensitivity through regulating expression of IKKε/TBK1 in liver of DIO mice.


Asunto(s)
Quinasa I-kappa B , Resistencia a la Insulina , Animales , Dieta Alta en Grasa/efectos adversos , Flavonoides/farmacología , Quinasa I-kappa B/metabolismo , Hígado/metabolismo , Ratones , Ratones Obesos , Proteínas Quinasas/metabolismo , Proteínas Serina-Treonina Quinasas
17.
BMC Oral Health ; 22(1): 304, 2022 07 23.
Artículo en Inglés | MEDLINE | ID: mdl-35870965

RESUMEN

BACKGROUND: Oral health-related quality of life, a prominent topic in dentistry, has been studied extensively. However, the comparison between various self-perceived and clinical oral health measures still needs to be explored. The purpose of the current study is; first, to report the self-perceived and clinically examined oral health measures that are associated with the oral impacts on daily performances. Second, to identify the oral health measure that best predicts greater oral impact scores. Third, to investigate the difference in findings related to the disease experience measures and the treatment measures. METHODS: A cross-sectional study was carried out on children aged 12-14 years. The prevalence, frequency, and oral impact scores of each daily performance were calculated. Thirteen self-perceived OH conditions were assessed. Clinically examined oral health measures included gingival health, oral hygiene status, DMFT, DT, MT, and FT scores and, one or more decay (1 + D), missing (1 + M) and filled (1 + F) teeth. Simple linear and multiple linear regressions were carried out to report the associations. RESULTS: At least one oral health impacted daily performance was reported by 40% of the total sample of schoolchildren (N = 700). Based on the magnitude and precision of adjusted regression coefficients (RC), decay severity (DT) was identified as a better predictor of a greater oral impact score with regression coefficient values ranging between 0.3 (social contact) and 2.4 (1 + performance). Contrariwise, MT and FT components of DMFT were associated with lower oral impact scores. The self-perceived measures were also associated with oral impact scores and presented similar findings to that of the clinical oral health measures. CONCLUSIONS: Untreated decay significantly impacted daily performances, especially eating, sleeping, studying, and social contact. The findings are of importance to public health practitioners for reporting, treating, and preventing oral health problems in children, and eventually contributing to better oral health-related quality of life.


Asunto(s)
Caries Dental , Salud Bucal , Adolescente , Niño , Estudios Transversales , Caries Dental/epidemiología , Humanos , Prevalencia , Calidad de Vida , Encuestas y Cuestionarios
18.
Phys Rev Lett ; 127(13): 134502, 2021 Sep 24.
Artículo en Inglés | MEDLINE | ID: mdl-34623848

RESUMEN

Viscoelastic plane Poiseuille flow is shown to become linearly unstable in the absence of inertia, in the limit of high elasticities, for ultradilute polymer solutions. While inertialess elastic instabilities have been predicted for curvilinear shear flows, this is the first ever report of a purely elastic linear instability in a rectilinear shear flow. The novel instability continues up to a Reynolds number (Re) of O(1000), corresponding to the recently identified elasto-inertial turbulent state believed to underlie the maximum-drag-reduced regime. Thus, for highly elastic ultradilute polymer solutions, a single linearly unstable modal branch may underlie transition to elastic turbulence at zero Re and to elasto-inertial turbulence at moderate Re, implying the existence of continuous pathways connecting the turbulent states to each other and to the laminar base state.

19.
BMC Neurol ; 21(1): 29, 2021 Jan 19.
Artículo en Inglés | MEDLINE | ID: mdl-33468071

RESUMEN

BACKGROUND: Symplastic hemangioma is a benign superficial abnormal buildup of blood vessels, with morphological features which can mimic a pseudo malignancy. A few cases have been reported in the literature. We report here, a unique case of calvarial symplastic hemangioma, which is the first case in the calvarial region. CASE PRESENTATION: A 29-year-old male patient, with a left occipital calvarial mass since childhood, that gradually increased in size with age, was associated with recurrent epileptic fits controlled by Levetiracetam (Keppra), with no history of trauma. He presented to the emergency room with a recent headache, vomiting, frequent epileptic fits and a decrease in the level of consciousness 1 day prior to admission. A CT scan showed three diploic, expansile, variable sized lytic lesions with a sunburst appearance; two that were biparietal, and one that was left occipital, which were all suggestive of calvarial hemangiomas. However, the large intracranial soft tissue content, within the hemorrhage of the occipital lesion was concerning. The patient had refused surgery over the years; however, after the last severe presentation, he finally agreed to treatment. The two adjacent, left parietal and occipital lesions were treated satisfactorily using preoperative embolization, surgical resection, and cranioplasty. Histopathology revealed cavernous hemangiomas, in addition to symplastic hemangioma (pseudo malignancy features) on top at the occipital lesion. The right parietal lesion was not within the surgical field; therefore, it was left untouched for follow-up. CONCLUSIONS: Histopathology and radiology examinations confirmed the diagnosis as symplastic hemangioma, on top of a pre-existing cavernous hemangioma. To the best of our knowledge, this is the first case of a calvarial symplastic hemangioma, which we report here.


Asunto(s)
Hemangioma Cavernoso/patología , Neoplasias Primarias Múltiples/patología , Neoplasias Craneales/patología , Adulto , Embolización Terapéutica , Hemangioma Cavernoso/diagnóstico , Hemangioma Cavernoso/terapia , Humanos , Masculino , Neoplasias Primarias Múltiples/diagnóstico , Neoplasias Primarias Múltiples/terapia , Neoplasias Craneales/diagnóstico , Neoplasias Craneales/terapia , Tomografía Computarizada por Rayos X
20.
Appl Microbiol Biotechnol ; 105(8): 3315-3325, 2021 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-33797573

RESUMEN

BACKGROUND: Conducting polymer based nanocomposites are known to be effective against pathogens. Herein, we report the antimicrobial properties of multifunctional polypyrrole-cobalt oxide-silver nanocomposite (PPy-Co3O4-AgNPs) for the first time. Antibacterial activities were tested against multi-drug-resistant Gram-negative Escherichia coli (E. coli) and Gram-positive methicillin-resistant Staphylococcus aureus (MRSA) bacteria, while antiamoebic effects were assessed against opportunistic protist Acanthamoeba castellanii (A. castellanii). RESULTS: The ternary nanocomposite containing conducting polymer polypyrrole, cobalt oxide, and silver nanoparticles showed potent antimicrobial effects against these pathogens. The antibacterial assay showed that PPy-Co3O4-AgNPs exhibited significant bactericidal activity against neuropathogenic E. coli K1 at only 8 µg/mL as compared to individual components of the nanocomposite, whereas a 70 % inhibition of A. castellanii viability was observed at 50 µg/mL. Moreover, PPy-Co3O4-AgNPs were found to have minimal cytotoxicity against human keratinocytes HaCaT cells in vitro even at higher concentration (50 µg/mL), and also reduced the microbes-mediated cytopathogenicity against host cells. CONCLUSION: These results demonstrate that PPy-Co3O4-AgNPs hold promise in the development of novel antimicrobial nanomaterials for biomedical applications. KEY POINTS: •Synthesis of polypyrrole-cobalt oxide-silver (PPy-Co3O4-AgNPs) nanocomposite. •Antimicrobial activity of nanocomposite. •PPy-Co3O4-AgNPs hold promise for biomedical applications.


Asunto(s)
Antiinfecciosos , Nanopartículas del Metal , Staphylococcus aureus Resistente a Meticilina , Nanocompuestos , Parásitos , Animales , Antibacterianos/farmacología , Antiinfecciosos/farmacología , Bacterias , Cobalto , Escherichia coli , Humanos , Pruebas de Sensibilidad Microbiana , Óxidos , Polímeros , Pirroles/farmacología , Plata/farmacología
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