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1.
Environ Geochem Health ; 46(5): 150, 2024 Apr 05.
Artículo en Inglés | MEDLINE | ID: mdl-38578528

RESUMEN

This study examined levels of lead (Pb), cadmium (Cd), chromium (Cr), copper (Cu), mercury (Hg), and arsenic (As) in blood, hair, and nails of 18 brick kiln workers from three brick kiln units located around a metropolitan city, Lahore, Pakistan. All the trace elements except Hg and As were detected in the studied matrices of Brick kiln workers. In general, brick kiln workers reflect the highest concentration of Pb, followed by Cd, Cr, and Cu. Of the pollutants analyzed, Pb has the highest mean (min-max) concentrations at 0.35 (0.09-0.65) in blood (µg/mL), 0.34 (0.14-0.71) in hairs (µg/g), and 0.44 (0.32-0.59) in nails (µg/g) of brick kiln workers. Following Pb, the trend was Cd 0.17 (0.10-0.24), Cu 0.11(0.03-0.27), and Cr 0.07 (0.04-0.08) in blood (µg/mL), followed by Cr 0.11(0.05-0.20), Cd 0.09 (0.03-0.13), and Cu 0.08 (0.04-0.16) in hairs (µg/g) and Cu 0.16 (0.05-0.36), Cd 0.13 (0.11-0.17), and Cr 0.10 (0.05-0.14) in nails (µg/g) respectively. Relatively higher concentrations of metals and other trace elements in blood depicts recent dietary exposure. The difference of trace elements except Pb was non-significant (P > 0.05) among studied matrices of workers as well as between Zigzag and traditional exhaust-based brick kilns. The concentrations of Pb, Cd and Cr in blood of brick kilns workers are higher than the values reported to cause health problems in human populations. It is concluded that chronic exposure to metals and other trace elements may pose some serious health risks to brick kiln workers which needs to be addressed immediately to avoid future worst-case scenarios.


Asunto(s)
Arsénico , Mercurio , Metales Pesados , Oligoelementos , Humanos , Oligoelementos/análisis , Metales Pesados/análisis , Cadmio/análisis , Pakistán , Plomo , Cromo/análisis , Arsénico/toxicidad , Arsénico/análisis , Monitoreo del Ambiente
2.
Cancer Treat Res ; 185: 59-77, 2023.
Artículo en Inglés | MEDLINE | ID: mdl-37306904

RESUMEN

A crucial element of cancer treatment is radiation therapy that is used to destroy tumors and cancer cells through radiation. Another essential component is immunotherapy that helps immune system to combat cancer. The combination of both radiation therapy and immunotherapy is being focused recently for the treatment of many tumors. Chemotherapy includes the use of some chemical agent to control the growth of cancer, whereas irradiation involves the use of radiations of high energy to kill cancer cells. The union of both became the strongest practice in cancer treatment techniques. Specific chemotherapies are combined with radiation in the treatment of cancer after proper preclinical assessment of their effectiveness. Some classes of compounds include platinum-based drugs, antimicrotubules, antimetabolites (5-Fluorouracil, Capecitabine, Gemcitabine, Pemetrexed), topoisomerase I inhibitors, alkylating agents (Temozolomide), and other agents (Mitomycin-C, Hypoxic Sensitizers, Nimorazole).


Asunto(s)
Neoplasias , Humanos , Inmunoterapia , Gemcitabina , Mitomicina , Nimorazol
3.
Arch Pharm (Weinheim) ; 356(11): e2300430, 2023 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-37718357

RESUMEN

Alzheimer's disease (AD) presents a multifactorial neurological disorder with multiple enzyme involvement in its onset. Conventional monotherapies fall short in providing long-term relief, necessitating the exploration of alternative multitargeting approaches to address the complexity of AD. Therefore, the design, synthesis, and in vitro and in silico evaluation of 2-oxoquinoline-based thiosemicarbazones 9a-r as multipotent analogs, able to simultaneously inhibit the cholinesterase (ChE) and monoamine oxidase (MAO) enzymes for the potential treatment of AD, are reported. In the in vitro experimental evaluation of MAO and ChE inhibition, all tested compounds demonstrated remarkable potency exhibiting nonselective inhibition of both MAO-A and MAO-B, and selective inhibition of acetylcholinesterase (AChE) over butyrylcholinesterase (BChE), with 9d, 9j, and 9m evolving as lead compounds for MAO-A, MAO-B, and AChE, displaying IC50 values of 0.35 ± 0.92, 0.50 ± 0.02, and 0.25 ± 0.13 µM, respectively. Moreover, the kinetic studies revealed that all tested compounds inhibited all three enzymes through a competitive mode of inhibition. Furthermore, the molecular docking studies of the most active compounds revealed several crucial interactions, particularly hydrogen bonding interactions. These interactions were observed between the nitrogen and sulfur atoms of thiosemicarbazone and the nitrogen and oxygen atoms of the quinoline ring with various amino acids, suggesting the strong interactions of these compounds with the enzymes.


Asunto(s)
Enfermedad de Alzheimer , Quinolonas , Tiosemicarbazonas , Humanos , Inhibidores de la Colinesterasa/química , Monoaminooxidasa/metabolismo , Enfermedad de Alzheimer/tratamiento farmacológico , Butirilcolinesterasa/metabolismo , Acetilcolinesterasa/metabolismo , Inhibidores de la Monoaminooxidasa/química , Simulación del Acoplamiento Molecular , Tiosemicarbazonas/farmacología , Cinética , Relación Estructura-Actividad , Nitrógeno
4.
Environ Monit Assess ; 195(11): 1308, 2023 Oct 13.
Artículo en Inglés | MEDLINE | ID: mdl-37831294

RESUMEN

The extent of aquatic pollution of Karachi Port Trust (KPT) coastal area located at the south of Pakistan coast has increased considerably in the last few decades due to unrestricted discharge of sanitary waste. The current study lays emphasis on the identification of vulnerable zones severely impacted by pollution in the KPT coastal area using laboratory monitoring, geospatial techniques, and statistical analysis. During 2019, sampling was conducted along the KPT coastal area, and 54 samples of seawater were collected during pre- and post-monsoon seasons. The outcomes of physical and chemical analysis revealed that the concentrations of BOD (biochemical oxygen demand), COD (chemical oxygen demand), nitrate, phosphate, phenol, cyanide, and oil and grease frequently exceeded the permitted limit of international norms and reached much greater levels. The levels of perilous metals in the seawater samples were in the order Ni>Cr>Cu>Pb>Cd>As in both phases and also reached to elevated levels as a consequence of the indiscriminate discharge of untreated industrial and domestic wastewater. Based on detailed examination during pre- and post-monsoon, six sites near KPT, Lyari River outfall, and Karachi Harbour were identified as highly polluted zones due to heavy discharge of sanitary effluents at these sites. In particular, the industrial zones present in the formal and informal sectors of Karachi are responsible for the deterioration of the KPT coastal area. Therefore, it is advised to design and build a submerged drainage system to transport and distribute massive amounts of treated municipal and industrial waste to the deep open sea in order to minimize the high pollutant levels in these locations.


Asunto(s)
Metales Pesados , Contaminantes Químicos del Agua , Contaminantes Químicos del Agua/análisis , Monitoreo del Ambiente , Pakistán , Confianza , Metales/análisis , Metales Pesados/análisis
5.
Molecules ; 27(23)2022 Nov 23.
Artículo en Inglés | MEDLINE | ID: mdl-36500240

RESUMEN

In this study, selenium nanoparticles (SeNPs) and cerium oxide nanoparticles (CeONPs) were synthesized by using the extract of Melia azedarach leaves, and Acorus calamusas rhizomes, respectively, and investigated for the biological and sustainable control of yellow, or stripe rust, disease in wheat. The green synthesized NPs were characterized by UV-Visible spectroscopy, scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), and X-ray diffraction (XRD). The SeNPs and CeONPs, with different concentrations (i.e., 10, 20, 30, and 40 mg/L), were exogenously applied to wheat infected with Puccinia striformis. SeNPs and CeONPs, at a concentration of 30 mg/L, were found to be the most suitable concentrations, which reduced the disease severity and enhanced the morphological (plant height, root length, shoot length, leaf length, and ear length), physiological (chlorophyll and membrane stability index), biochemical (proline, phenolics and flavonoids) and antioxidant (SOD and POD) parameters. The antioxidant activity of SeNPs and CeONPs was also measured. For this purpose, different concentrations (50, 100, 150, 200 and 400 ppm) of both SeNPs and CeONPs were used. The concentration of 400 ppm most promoted the DPPH, ABTS and reducing power activity of both SeNPs and CeONPs. This study is considered the first biocompatible approach to evaluate the potential of green synthesized SeNPs and CeONPs to improve the health of yellow, or stripe rust, infected wheat plants and to provide an effective management strategy to inhibit the growth of Puccinia striformis.


Asunto(s)
Basidiomycota , Nanopartículas , Selenio , Triticum , Selenio/farmacología , Selenio/química , Nanopartículas/química , Antioxidantes/farmacología , Antioxidantes/química
6.
Environ Monit Assess ; 194(8): 550, 2022 Jul 01.
Artículo en Inglés | MEDLINE | ID: mdl-35776215

RESUMEN

Climate variability is widely recognized as a major concern, particularly in resource-scarce regions where it limits livelihood opportunities by putting additional strain on already depleting resources, resulting in human insecurity and conflicts. Some vulnerability assessments have created a nexus between climate variability and conflicts. The Climate-Water Conflict Vulnerability Index (CWCVI) and the Climate-Agriculture Conflict Vulnerability Index (CACVI) are applied as a tool for exploring the climate and conflict interactions, as well as contrasting the vulnerabilities of the coastal districts of Badin, Thatta, and Sujawal. The analysis incorporates a dual exposure of communities in the form of climate variability and conflict over water and agricultural resources. The study finds that aggression and feelings of insecurity about depleting resources are the main contributing indicators of climate-conflict vulnerability in the coastal districts. District Sujawal showed higher vulnerability in adaptive capacity as compared to the other districts due to poor infrastructure and high dependency on natural resources. However, the district of Badin demonstrated high vulnerability in terms of sensitivity and its exposure to conflicts over agricultural resources is high. The overall CWCVI and CACVI scores were higher in Badin and Thatta, respectively. This study identifies a number of indicators that can be used to improve the efficacy of mitigation strategies to reduce conflict vulnerability in future policy directions and resource planning.


Asunto(s)
Cambio Climático , Monitoreo del Ambiente , Clima , Humanos , Pakistán , Agua
7.
Int J Mol Sci ; 22(20)2021 Oct 19.
Artículo en Inglés | MEDLINE | ID: mdl-34681952

RESUMEN

A nano-revolution based on the green synthesis of nanomaterials could affect all areas of human life, and nanotechnology represents a propitious platform for various biomedical applications. During the synthesis of nanoparticles, various factors can control their physiognomies and clinical activities. Light is one of the major physical factors that can play an important role in tuning/refining the properties of nanoparticles. In this study, biocompatible monometallic (AgNPs and ZnONPs) and bimetallic Ag-ZnONPs (0.1/0.1 and 0.1/0.5) were synthesized under UV-C light irradiation from the leaf extract of Morus macroura, which possesses enriched TPC (4.238 ± 0.26 mg GAE/g DW) and TFC (1.073 ± 0.18 mg QE/g DW), as well as strong FRSA (82.39%). These green synthesized NPs were evaluated for their anti-diabetic, anti-glycation, and biocompatibility activities. Furthermore, their anti-cancerous activity against HepG2 cell lines was assessed in terms of cell viability, production of reactive oxygen/nitrogen species, mitochondrial membrane potential, and apoptotic caspase-3/7 expression and activity. Synthesized NPs were characterized by techniques including ultraviolet-visible spectroscopy, SEM, EDX, FTIR, and XRD. UV-C mediated monometallic and bimetallic NPs showed well-defined characteristic shapes with a more disperse particle distribution, definite crystalline structures, and reduced sizes as compared to their respective controls. In the case of clinical activities, the highest anti-diabetic activity (67.77 ± 3.29% against α-amylase and 35.83 ± 2.40% against α-glucosidase) and anti-glycation activity (37.68 ± 3.34% against pentosidine-like AGEs and 67.87 ± 2.99% against vesperlysine-like AGEs) was shown by UV-C mediated AgNPs. The highest biocompatibility (IC50 = 14.23 ± 1.68 µg/mL against brine shrimp and 2.48 ± 0.32% hemolysis of human red blood cells) was shown by UV-C mediated ZnONPs. In the case of anti-cancerous activities, the lowest viability (23.45 ± 1.40%) with enhanced ROS/NOS production led to a significant disruption of mitochondrial membrane potential and greater caspase-3/7 gene expression and activity by UV-C mediated bimetallic Ag-ZnONPs (0.1/0.5). The present work highlights the positive effects of UV-C light on physico-chemical physiognomies as well as the clinical activities of NPs.


Asunto(s)
Carcinoma Hepatocelular/tratamiento farmacológico , Neoplasias Hepáticas/tratamiento farmacológico , Nanopartículas del Metal/administración & dosificación , Morus/química , Extractos Vegetales/farmacología , Plata/química , Óxido de Zinc/química , Animales , Apoptosis , Artemia/efectos de los fármacos , Carcinoma Hepatocelular/metabolismo , Carcinoma Hepatocelular/patología , Proliferación Celular , Glucólisis , Hemólisis/efectos de los fármacos , Células Hep G2 , Humanos , Neoplasias Hepáticas/metabolismo , Neoplasias Hepáticas/patología , Nanopartículas del Metal/química , Nanopartículas del Metal/efectos de la radiación , Fisiognomía , Rayos Ultravioleta , alfa-Amilasas/antagonistas & inhibidores , alfa-Glucosidasas/química
8.
J Pak Med Assoc ; 70(3): 534-536, 2020 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-32207442

RESUMEN

Dermoid cyst of the ovary is a common benign condition. It is usually asymptomatic but can present with pain, mass, hormone related symptoms or paraneoplastic syndrome. Hair is a common morphological component of the dermoid cyst; however, it rarely manifests as a presenting complain. We report a case, who presented with the complaints of hair coming out through her anal orifice for a year. Ultrasound and computed tomography scan revealed a dermoid cyst of the right ovary adherent to the rectum. Surgical removal showed hair coming out of the cyst. Primary repair of the defect in rectal wall was performed which resulted in resolution of the symptoms.


Asunto(s)
Neoplasias Ováricas , Ovariectomía/métodos , Ovario , Fístula Rectal , Recto , Teratoma , Adulto , Canal Anal , Femenino , Cabello , Humanos , Neoplasias Ováricas/complicaciones , Neoplasias Ováricas/diagnóstico , Neoplasias Ováricas/fisiopatología , Neoplasias Ováricas/cirugía , Ovario/diagnóstico por imagen , Ovario/cirugía , Procedimientos de Cirugía Plástica/métodos , Fístula Rectal/etiología , Fístula Rectal/fisiopatología , Fístula Rectal/cirugía , Recto/diagnóstico por imagen , Recto/cirugía , Teratoma/complicaciones , Teratoma/diagnóstico , Teratoma/fisiopatología , Teratoma/cirugía , Tomografía Computarizada por Rayos X/métodos , Resultado del Tratamiento , Ultrasonografía/métodos
9.
Epilepsy Behav ; : 109879, 2024 Jun 12.
Artículo en Inglés | MEDLINE | ID: mdl-38871549
11.
J Pak Med Assoc ; 68(9): 1316-1320, 2018 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-30317257

RESUMEN

OBJECTIVE: To determine the frequency of reduction of pain in symptomatic knee osteoarthritis by using combination injections. METHODS: The experimental study was conducted from January 1, 2010, to December 31, 2016,at Al-Noor Surgery Hospital, Chakwal, Pakistan, and comprised patients suffering from symptomatic knee osteoarthritis. All patients were injected intra-articularly and peri-articularily with a combination of streptomycin, kenacort and lidocaine. The effects of this injection were recorded immediately after injection, after a month and after a year. Data was analyzed using SPSS 21. RESULTS: Of the 169 patients, there were 70(41.40%) males and 99(58.60%) females. The overall mean age and pain duration was 59.27±7.79 years and10.5±5.1 years respectively. No patient had pain immediately after the injection and after a month of follow-up. After a year, 145(86%) had a complete loss of pain compared to the baseline. Three (1.77%) patients required repetition of injection after a year. None of the patients suffered from septic arthritis or localised flare-ups and no one opted for knee joint arthoplasty. CONCLUSIONS: Combination of streptomycin, low-dose corticosteroids and lidocaine hadimmediate and prolonged effect in reducing pain in patients with knee osteoarthritis.


Asunto(s)
Inyecciones Intraarticulares/métodos , Lidocaína/administración & dosificación , Osteoartritis de la Rodilla , Estreptomicina/administración & dosificación , Triamcinolona Acetonida/administración & dosificación , Anciano , Anestésicos Locales/administración & dosificación , Antibacterianos/administración & dosificación , Antiinflamatorios/administración & dosificación , Femenino , Humanos , Articulación de la Rodilla/efectos de los fármacos , Articulación de la Rodilla/patología , Masculino , Persona de Mediana Edad , Osteoartritis de la Rodilla/diagnóstico , Osteoartritis de la Rodilla/tratamiento farmacológico , Osteoartritis de la Rodilla/fisiopatología , Manejo del Dolor/métodos , Pakistán , Tiempo , Resultado del Tratamiento
12.
Eur J Nutr ; 56(2): 591-601, 2017 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-26593435

RESUMEN

PURPOSE: The present study was undertaken to explore the possible anti-diabetic mechanism(s) of Emblica officinalis (EO) and its active constituent, ellagic acid (EA), in vitro and in vivo. METHOD: Neonatal streptozotocin-induced non-obese type 2 diabetic rats were treated with a methanolic extract of EO (250 or 500 mg/kg) for 28 days, and blood glucose, serum insulin, and plasma antioxidant status were measured. Insulin and glucagon immunostaining and morphometry were performed in pancreatic section, and liver TBARS and GSH levels were measured. Additionally, EA was tested for glucose-stimulated insulin secretion and glucose tolerance test. RESULTS: Treatment with EO extract resulted in a significant decrease in the fasting blood glucose in a dose- and time-dependent manner in the diabetic rats. It significantly increased serum insulin in the diabetic rats in a dose-dependent manner. Insulin-to-glucose ratio was also increased by EO treatment. Immunostaining of pancreas showed that EO250 increased ß-cell size, but EO500 increased ß-cells number in diabetic rats. EO significantly increased plasma total antioxidants and liver GSH and decreased liver TBARS. EA stimulated glucose-stimulated insulin secretion from isolated islets and decreased glucose intolerance in diabetic rats. CONCLUSION: Ellagic acid in EO exerts anti-diabetic activity through the action on ß-cells of pancreas that stimulates insulin secretion and decreases glucose intolerance.


Asunto(s)
Diabetes Mellitus Experimental/tratamiento farmacológico , Diabetes Mellitus Tipo 2/tratamiento farmacológico , Ácido Elágico/administración & dosificación , Hipoglucemiantes , Células Secretoras de Insulina/efectos de los fármacos , Phyllanthus emblica/química , Animales , Antioxidantes , Glucemia/análisis , Frutas/química , Glucagón/análisis , Glutatión/análisis , Insulina/análisis , Insulina/sangre , Células Secretoras de Insulina/química , Células Secretoras de Insulina/citología , Hígado/química , Hígado/efectos de los fármacos , Fitoterapia , Extractos Vegetales/administración & dosificación , Ratas , Sustancias Reactivas al Ácido Tiobarbitúrico/análisis
13.
BMC Complement Altern Med ; 17(1): 227, 2017 Apr 21.
Artículo en Inglés | MEDLINE | ID: mdl-28431540

RESUMEN

BACKGROUND: Although the anti-diabetic activity of Aegle marmelos (AM) is known, however, its anti-glycation activity is not reported yet. In this study, we have investigated its anti-glycation activity under in vitro and in vivo conditions and determined possible mechanism(s) in streptozotocin-induced diabetic rats. METHODS: Effective dose of AM (400 mg/kg) was administrated orally to diabetic rats for 42 days. Thereafter, blood glucose, serum insulin, HbA1c, antioxidant status, and advanced glycation end-products (AGEs) were measured. AGEs and its receptor (RAGE) in kidney were analyzed by immunohistochemistry and immunoblotting. Additionally, pancreatic sections were co-stained for insulin and glucagon and images were acquired using NIKON TE2000E fluorescence microscopy. RESULTS: Oral administration of AM extract resulted in a significant increase in serum insulin by better functioning of ß-cell and preserving pancreatic ß-cell integrity in diabetic rats. Treatment of AM extract significantly (p = 0.000) prevented the formation of HbA1c in the diabetic rats (8.20 ± 0.18% vs. 11.92 ± 0.59%). The circulatory AGEs level found in diabetic rat was significantly (p = 0.002) attenuated by AM treatment (0.66 ± 0.05 mg/ml vs. 1.18 ± 0.19 mg/ml). AM treatment also reduced AGEs accumulation around Bowman's capsule and in tubular basement membrane around arteries in diabetic rat kidney. The accumulation of RAGE was very similar to that of AGEs in diabetic rats and RAGE accumulation was also prevented by AM treatment. The extract showed potent antioxidant activity both under in vitro and in vivo systems. Eugenol, one of the active constituent of AM fruit extract, showed acute blood glucose-lowering activity in diabetic rats and enhanced glucose-stimulated insulin secretion from mice islets. CONCLUSION: AM extract prevents AGEs formation by modulating ß-cell function, and eugenol may play important role in preventing complications of diabetes in this rat model.


Asunto(s)
Aegle/química , Glucemia/metabolismo , Diabetes Mellitus Experimental/tratamiento farmacológico , Productos Finales de Glicación Avanzada/sangre , Hipoglucemiantes/farmacología , Células Secretoras de Insulina/efectos de los fármacos , Extractos Vegetales/farmacología , Animales , Antioxidantes/farmacología , Antioxidantes/uso terapéutico , Diabetes Mellitus Experimental/sangre , Eugenol/farmacología , Eugenol/uso terapéutico , Femenino , Frutas , Hipoglucemiantes/uso terapéutico , Insulina/sangre , Riñón/efectos de los fármacos , Riñón/metabolismo , Masculino , Fitoterapia , Extractos Vegetales/uso terapéutico , Ratas Wistar
14.
J Ayub Med Coll Abbottabad ; 28(1): 99-104, 2016.
Artículo en Inglés | MEDLINE | ID: mdl-27323572

RESUMEN

BACKGROUND: Learning impairments in children consist of a spectrum of disorders that are under diagnosed in Pakistan. Most learning disorders have long term consequences for a child and early detection is thus imperative. Teachers may be able to play a key role in such identification. The objective of our study was to survey knowledge, attitudes and practices of school teachers regarding dyslexia, Attention-deficit/hyperactivity disorder (ADHD) and autistic spectrum disorder, and assess their ability to identify learning disabilities. METHODS: A cross-sectional study was conducted with 233 primary school teachers from Karachi using a self-administered questionnaire. RESULTS: Mean scores for the knowledge test and the ability to identify learning- impaired children were 58.8% and 53.3%, respectively. Better qualified teachers scored significantly more on the knowledge and ability to identify learning impairments sections. Most teachers believed that these students should study in mainstream schools with special educators. Majority of the teachers belonged to schools where children with learning disabilities were detected using teachers' judgment. Most teachers manage these children by involving them in discussions, seating them at the front of the class, and giving them extra time. CONCLUSION: Knowledge about learning disabilities is very low amongst school teachers, which may limit their ability to identify learning impairments.


Asunto(s)
Trastorno por Déficit de Atención con Hiperactividad , Trastorno Autístico , Dislexia , Docentes , Competencia Profesional , Estudios Transversales , Humanos , Pakistán , Encuestas y Cuestionarios
16.
RSC Adv ; 14(29): 20441-20453, 2024 Jun 27.
Artículo en Inglés | MEDLINE | ID: mdl-38946775

RESUMEN

Herein, unique A-D-A configuration-based molecules (NBD1-NBD7) were designed from the reference compound (NBR) by utilizing the end-capped acceptor modification approach. Various electron-withdrawing units -F, -Cl, -CN, -NO2, -CF3, -HSO3, and -COOCH3, were incorporated into terminals of reference compound to designed NBD1-NBD7, respectively. A theoretical investigation employing the density functional theory (DFT) and time-dependent DFT (TD-DFT) was performed at B3LYP/6-311G(d,p) level. To reveal diverse opto-electronic and photovoltaic properties, the frontier molecular orbitals (FMOs), absorption maxima (λ max), density of states (DOS), exciton binding energy (E b), open-circuit voltage (V oc) and transition density matrix (TDM) analyses were executed at the same functional. Moreover, the global reactivity parameters (GRPs) were calculated using the HOMO-LUMO energy gaps from the FMOs. Significant results were obtained for the designed molecules (NBD1-NBD7) as compared to NBR. They showed lesser energy band gaps (2.024-2.157 eV) as compared to the NBR reference (2.147 eV). The tailored molecules also demonstrated bathochromic shifts in the chloroform (671.087-717.164 nm) and gas phases (623.251-653.404 nm) as compared to NBR compound (674.189 and 626.178 nm, respectively). From the photovoltaic perspectives, they showed promising results (2.024-2.157 V). Furthermore, the existence of intramolecular charge transfer (ICT) in the designed compounds was depicted via their DOS and TDM graphical plots. Among all the investigated molecules, NBD4 was disclosed as the excellent candidate for solar cell applications owing to its favorable properties such as the least band gap (2.024 eV), red-shifted λ max in the chloroform (717.164 nm) and gas (653.404 nm) phases as well as the minimal E b (0.126 eV). This is due to the presence of highly electronegative -NO2 unit at the terminal of electron withdrawing acceptor moiety, which leads to increased conjugation and enhanced the intramolecular charge transfer (ICT) rate. The obtained insights suggested that the designed molecules could be considered as promising materials for potential applications in the realm of OSCs.

17.
RSC Adv ; 14(15): 10304-10321, 2024 Mar 26.
Artículo en Inglés | MEDLINE | ID: mdl-38549798

RESUMEN

Monoamine oxidases (MAOs) inhibitors could decrease reactive oxygen species (ROS) generation, enhance mono-aminergic neural transmission, and have major therapeutic benefits for the treatment of Alzheimer's disease (AD). Following the conjunction of ferulic acid (FA)/gallic acid (GA) with sulfonamide, alanine and 2-aminobenzothiazole, we planned to assess the radical scavenging and antioxidant properties of synthesized analogs by using 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) and ferric ion reducing antioxidant power (FRAP) assays. GA analog 28 was identified as the most potent antioxidant compound with IC50 values of 1.77 µM and 2.06 µM in DPPH and ABTS assays respectively. In the in vitro enzyme inhibition assays, synthesized derivative 23 emerged as a potent multitarget inhibitor of hMAO-B, eeAChE. COX-2 and 5-LOX with IC50 values of 0.037 µM, 0.071 µM, 14.3 µM and 0.59 µM, respectively. Moreover, selected compounds 23, 25, 26 and 28 displayed good to moderate inhibition of self-mediated amyloid ß1-42 peptide aggregation. More importantly, compounds 23, 25, 28 and 29 showed no neurotoxicity on SH-SY5Y cells and also showed excellent neuroprotective effects against H2O2-induced SH-SY5Y cells. In the in vivo experiment, antioxidant enzymes superoxide dismutase (SOD), catalase and glutathione peroxidase (GSH-Px) were studied in the brain of male BALB/c mice at the dose of 5 mg kg-1. All the tested compounds, except 29, have shown good to in vivo antioxidant potential. Docking studies on 3D crystallographic structures of AChE and MAO-B showed significant interactions with catalytic amino acid residues. In conclusion, the current study showed that FA/GA derivatives could be further exploited for their multitarget role in oxidative stress-related AD therapies.

18.
J Photochem Photobiol B ; 251: 112841, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-38194816

RESUMEN

The most prevalent solar ultraviolet radiation is ultraviolet-A (UVA) radiation. It is the inducer of reactive oxygen species (ROS), a potent mediator of inflammation and photocarcinogenesis. Regular application of sunscreens containing UVA filters is an effective preventive measure in mitigating the risk associated with the formation of dermal carcinoma. Therefore, the development of new photoprotective agents is of great need. The current work examined the in vitro photoprotection of the aryl-linked (thio)semicarbazone derivatives against UVA-mediated DNA damage, inflammation, reactive nitrogen species (RNS), and ROS. Except for the inflammatory cytokine assay, which was carried out on the human monocytic leukemia (THP-1) cell line, all tests were conducted on the human dermal fibroblast (BJ) cell line. In comparison to benzophenone (reference compound), the compound (2Z, 2'Z)-2,2'-(1,3-Phenylenebis (methanylylidene)) bis (hydrazine-1-carbothioamide) (DD-21) demonstrated considerable protection against UVA-induced damage. Compared to the UVA-irradiated control, DD-21 significantly decreased the levels of nitric oxide (NO) and ROS (p < 0.001). In the presence of DD-21, the release of UVA-induced pro-inflammatory cytokines, tumor necrosis factor-α (TNF-α) and interleukin-1ß (IL-1ß), was also significantly reduced (p < 0.05). Moreover, it was observed that DD-21 protected the cells from UVA-mediated DNA strand breaks and also inhibited the formation of cyclobutane pyrimidine dimers (CPDs) upon comparison to the UVA-exposed control cells (p < 0.001). In conclusion, the findings of this study revealed that DD-21 exhibits remarkable photoprotective properties, thus demonstrating its potential as a candidate UVA filter.


Asunto(s)
Daño del ADN , Rayos Ultravioleta , Humanos , Especies Reactivas de Oxígeno , Dímeros de Pirimidina , Inflamación
19.
J Biomol Struct Dyn ; : 1-21, 2024 Feb 12.
Artículo en Inglés | MEDLINE | ID: mdl-38344816

RESUMEN

Mango (Mangifera indica L.) is one of the most important fruit crops in the world with yields of approximately 40 million tons annually and its production continues to decrease every year as a result of the attack of certain pathogens i.e. Colletotrichum gloeosporioides, Erythricium salmonicolor, Amritodus atkinsoni, Idioscopus clypealis, Idioscopus nitidulus, Bactrocera obliqua, Bactrocera frauenfeldi, Xanthomonas campestris, and Fusarium mangiferae. So F. mangiferae is the most harmful pathogen that causes mango malformation disease in mango which decreases its 90% yield. Nanotechnology is an eco-friendly and has a promising effect over traditional methods to cure fungal diseases. Different nanoparticles possess antifungal potential in terms of controlling the fungal diseases in plants but applications of nanotechnology in plant disease managements is minimal. The main focus of this review is to highlight the previous and current strategies to control mango malformation and highlights the promising applications of nanomaterials in combating mango malformation. Hence, the present review aims to provide brief information on the disease and effective management strategies.Communicated by Ramaswamy H. Sarma.

20.
Heliyon ; 10(7): e28252, 2024 Apr 15.
Artículo en Inglés | MEDLINE | ID: mdl-38689958

RESUMEN

Extreme hot conditions during summers, high poverty rate and continuous electricity load shedding affect commercial manufacturing and sale of ice in many countries. The vendors prepared ice using untreated piped water, tanker water and ground water. These waters may contain hazardous pollutants and ice made from them will pose a potential human health risk. Thus, it is important to regularly monitor the chemical composition of water sources and the quality of the manufactured ice. A contemporary examination was carried out to evaluate the physico-chemical properties and heavy metals and metalloids in the ice sold in all the districts of Karachi, Pakistan. This pioneering study was an innovative effort to assess the ice quality in relation to potential pollutant hazards to human health; with concomitant geospatial information. The geospatial distribution of ice quality and major constituents were among the measured parameters; carefully associated with further geospatial information, determined using GIS (Geographic Information Systems) and PCA (Principal Component Analysis) techniques. Interestingly, the physico-chemical analyses revealed that the ice quality was marginally adequate and the total mean metal-metalloid contents were in the sequence of Pb > Ni > Zn > Fe > Cr > As. The concentrations of these metals were above the upper allowable limits with reference to the recommended WHO guidelines. We observed that 57.1% and 35.7% ice samples had good physico-chemical properties assessed using the Ice Quality Index (IQI). Conversely, the IQI for metals showed that the ice was unsafe for human consumption. In terms of health risk assessment, the overall mean CDI (Chronic Daily Intake) and HQ (Hazard Quotient) values were in the order of Pb () > Ni (3.2) > Zn (2.3) > Fe (2.1) > Cr (1.6) > As (0.5) and Pb (7.4) > As (1.7) > Cr (0.5) > Ni (0.4 > Zn (0.008) > Fe (0.003), respectively. This study highlighted that routine monitoring of the water supplies available for making ice is required to protect public health.

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