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The coexistence of ceftazidime, which is a popular third-generation of cephalosporin antibiotic, with ubiquitous paracetamol or acetaminophen, is very likely because the latter is given to the patients to reduce fever due to bacterial infection along with an antibiotic such as the former. Therefore, in this study, we investigated the detailed binding of ceftazidime with plasma protein, human serum albumin (HSA), in the absence and presence of paracetamol using spectroscopic techniques such as fluorescence, UV-visible, and circular dichroism, along with in silico methods such as molecular docking, molecular dynamics simulations, and MM/PBSA-based binding free energy analysis. The basic idea of the interaction was attained by using UV-visible spectroscopy. Further, fluorescence spectroscopy revealed that there was a fair interaction between ceftazidime and HSA, and the mechanism of the quenching was a dynamic one, i.e., the quenching constant increased with increasing temperature. The interaction was, primarily, reinforced by hydrophobic forces, which resulted in the partial unfolding of the protein. Low concentrations of paracetamol were ineffective in affecting the binding of ceftazidime with has; although, a decrease in the quenching and binding constants was observed in the presence of high concentrations of the former. Competitive binding site experiments using warfarin and ibuprofen as site markers revealed that ceftazidime neither binds at drug site 1 or at drug site 2, articulating another binding site, which was confirmed by molecular docking simulations.
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Acetaminofén , Ceftazidima , Humanos , Ceftazidima/farmacología , Simulación del Acoplamiento Molecular , Unión Proteica , Acetaminofén/farmacología , Termodinámica , Antibacterianos/farmacología , Antibacterianos/química , Sitios de Unión , Albúmina Sérica Humana/química , Espectrometría de Fluorescencia , Dicroismo Circular , Antiinflamatorios no EsteroideosRESUMEN
In the current study, we report on the dielectric behavior of colossal-dielectric-constant Na1/2La1/2Cu3Ti4O12 (NLCTO) ceramics prepared by mechanochemical synthesis and spark plasma sintering (SPS) at 850 °C, 900 °C, and 925 °C for 10 min. X-ray powder diffraction analysis showed that all the ceramics have a cubic phase. Scanning electron microscope observations revealed an increase in the average grain size from 175 to 300 nm with an increase in the sintering temperature. SPS NLCTO ceramics showed a room-temperature colossal dielectric constant (>103) and a comparatively high dielectric loss (>0.1) over most of the studied frequency range (1 Hz-40 MHz). Two relaxation peaks were observed in the spectra of the electrical modulus and attributed to the response of grain and grain boundary. According to the Nyquist plots of complex impedance, the SPS NLCTO ceramics have semiconductor grains surrounded by electrically resistive grain boundaries. The colossal dielectric constant of SPS NLCTO ceramics was attributed to the internal barrier layer capacitance (IBLC) effect. The high dielectric loss is thought to be due to the low resistivity of the grain boundary of SPS NLCTO.
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Background: Type 2 diabetes mellitus (DM2) is a chronic and sometimes fatal condition which affects people all over the world. Nanotherapeutics have shown tremendous potential to combat chronic diseasesincluding DM2as they enhance the overall impact of drugs on biological systems. Greenly synthesized silver nanoparticles (AgNPs) from Catharanthus roseus methanolic extract (C. AgNPs) were examined primarily for their cytotoxic and antidiabetic effects. Methods: Characterization of C. AgNPs was performed by UV−vis spectroscopy, Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and atomic force microscopy (AFM). The C. AgNPs were trialed on Vero cell line and afterwards on an animal model (rats). Results: The C. AgNPs showed standard structural and functional characterization as revealed by FTIR and XRD analyses. The zetapotential analysis indicated stability while EDX analysis confirmed the formation of composite capping with Ag metal. The cytotoxic effect (IC50) of C. AgNPs on Vero cell lines was found to be 568 g/mL. The animal model analyses further revealed a significant difference in water intake, food intake, body weight, urine volume, and urine sugar of tested rats after treatment with aqueous extract of C. AgNPs. Moreover, five groups of rats including control and diabetic groups (NC1, PC2, DG1, DG2, and DG3) were investigated for their blood glucose and glycemic control analysis. Conclusions: The C. AgNPs exhibited positive potential on the Vero cell line as well as on experimental rats. The lipid profile in all the diabetic groups (DG1-3) were significantly increased compared with both of the control groups (p < 0.05). The present study revealed the significance of C. AgNPs in nanotherapeutics.
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Catharanthus , Diabetes Mellitus Tipo 2 , Nanopartículas del Metal , Animales , Antibacterianos/farmacología , Glucemia , Catharanthus/química , Línea Celular , Hipoglucemiantes/farmacología , Lípidos , Nanopartículas del Metal/química , Extractos Vegetales/química , Extractos Vegetales/farmacología , Ratas , Plata/química , Espectroscopía Infrarroja por Transformada de Fourier , Agua , Difracción de Rayos XRESUMEN
Vanadium dioxide (VO2 ) received tremendous interest lately due to its unique structural, electronic, and optoelectronic properties. VO2 has been extensively used in electrochromic displays and memristors and its VO2 (B) polymorph is extensively utilized as electrode material in energy storage applications. More studies are focused on VO2 (B) nanostructures which displayed different energy storage behavior than the bulk VO2 . The present review provides a systematic overview of the progress in VO2 nanostructures syntheses and its application in energy storage devices. Herein, a general introduction, discussion about crystal structure, and syntheses of a variety of nanostructures such as nanowires, nanorods, nanobelts, nanotubes, carambola shaped, etc. are summarized. The energy storage application of VO2 nanostructure and its composites are also described in detail and categorically, e.g. Li-ion battery, Na-ion battery, and supercapacitors. The current status and challenges associated with VO2 nanostructures are reported. Finally, light has been shed for the overall performance improvement of VO2 nanostructure as potential electrode material for future application.
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With the increasing popularity of the Internet-of-Medical-Things (IoMT) and smart devices, huge volumes of data streams have been generated. This study aims to address the concept drift, which is a major challenge in the processing of voluminous data streams. Concept drift refers to overtime change in data distribution. It may occur in the medical domain, for example the medical sensors measuring for general healthcare or rehabilitation, which may switch their roles for ICU emergency operations when required. Detecting concept drifts becomes trickier when the class distributions in data are skewed, which is often true for medical sensors e-health data. Reactive Drift Detection Method (RDDM) is an efficient method for detecting long concepts. However, RDDM has a high error rate, and it does not handle class imbalance. We propose an Enhanced Reactive Drift Detection Method (ERDDM), which systematically generates strategies to handle concept drift with class imbalance in data streams. We conducted experiments to compare ERDDM with three contemporary techniques in terms of prediction error, drift detection delay, latency, and ability to handle data imbalance. The experimentation was done in Massive Online Analysis (MOA) on 48 synthetic datasets customized to possess the capabilities of data streams. ERDDM can handle abrupt and gradual drifts and performs better than all benchmarks in almost all experiments.
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Atención a la Salud , Internet de las Cosas , Telemedicina , Algoritmos , Minería de DatosRESUMEN
A highly negative glutathione redox potential (EGSH ) is maintained in the cytosol, plastids and mitochondria of plant cells to support fundamental processes, including antioxidant defence, redox regulation and iron-sulfur cluster biogenesis. Out of two glutathione reductase (GR) proteins in Arabidopsis, GR2 is predicted to be dual-targeted to plastids and mitochondria, but its differential roles in these organelles remain unclear. We dissected the role of GR2 in organelle glutathione redox homeostasis and plant development using a combination of genetic complementation and stacked mutants, biochemical activity studies, immunogold labelling and in vivo biosensing. Our data demonstrate that GR2 is dual-targeted to plastids and mitochondria, but embryo lethality of gr2 null mutants is caused specifically in plastids. Whereas lack of mitochondrial GR2 leads to a partially oxidised glutathione pool in the matrix, the ATP-binding cassette (ABC) transporter ATM3 and the mitochondrial thioredoxin system provide functional backup and maintain plant viability. We identify GR2 as essential in the plastid stroma, where it counters GSSG accumulation and developmental arrest. By contrast a functional triad of GR2, ATM3 and the thioredoxin system in the mitochondria provides resilience to excessive glutathione oxidation.
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Proteínas de Arabidopsis/metabolismo , Arabidopsis/metabolismo , Glutatión Reductasa/metabolismo , Glutatión/metabolismo , Plastidios/metabolismo , Transportadoras de Casetes de Unión a ATP/genética , Transportadoras de Casetes de Unión a ATP/metabolismo , Arabidopsis/genética , Arabidopsis/crecimiento & desarrollo , Proteínas de Arabidopsis/genética , Prueba de Complementación Genética , Glutatión Reductasa/genética , Mitocondrias/metabolismo , Mutación , Oxidación-Reducción , Plantas Modificadas Genéticamente , Plastidios/genética , Semillas/genéticaRESUMEN
OBJECTIVE: To review 10 years of clinical practice of cardiac electrophysiology study and radiofrequency catheter ablation in the treatment of supraventricular tachycardia. METHODS: The retrospective chart review was conducted at the National Institute of Cardiovascular Diseases, Karachi, and comprised records of all patients who underwent electrophysiological study and / or radiofrequency catheter ablation from January2007 to December 2016. SPSS 21 was used for data analysis. RESULTS: Of the 627 patients, 335(53.4%) were females. The overall mean age was 40.99}13.59 years. The major indication for procedure was supraventricular tachycardia 376(59.97%). Final electrophysiological study diagnosis was typical slow fast atrioventricular nodal re-entrant tachycardia in 303(48.3%) patients. The overall success rate was 472(75.3%). Procedure-related complications were reported in 25(4%) patients, and there was 1(0.15%) mortality. CONCLUSIONS: Cardiac electrophysiology studies and radiofrequency catheter ablation were found to be an effective and safe method for diagnosis and treatment of supraventricular tachycardia.
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Ablación por Catéter , Técnicas Electrofisiológicas Cardíacas , Taquicardia por Reentrada en el Nodo Sinoatrial , Taquicardia Supraventricular , Síndrome de Wolff-Parkinson-White , Adulto , Ablación por Catéter/efectos adversos , Ablación por Catéter/métodos , Ablación por Catéter/estadística & datos numéricos , Diagnóstico Diferencial , Técnicas Electrofisiológicas Cardíacas/efectos adversos , Técnicas Electrofisiológicas Cardíacas/métodos , Técnicas Electrofisiológicas Cardíacas/estadística & datos numéricos , Femenino , Humanos , Masculino , Persona de Mediana Edad , Evaluación de Procesos y Resultados en Atención de Salud , Pakistán/epidemiología , Taquicardia por Reentrada en el Nodo Sinoatrial/diagnóstico , Taquicardia por Reentrada en el Nodo Sinoatrial/epidemiología , Taquicardia por Reentrada en el Nodo Sinoatrial/terapia , Taquicardia Supraventricular/diagnóstico , Taquicardia Supraventricular/epidemiología , Taquicardia Supraventricular/terapia , Síndrome de Wolff-Parkinson-White/diagnóstico , Síndrome de Wolff-Parkinson-White/epidemiología , Síndrome de Wolff-Parkinson-White/terapiaRESUMEN
The dynamics of cerium oxide nanoparticle aqueous corrosion are revealed in situ. We use innovative liquid-cell transmission electron microscopy (TEM) combined with deliberate high-intensity electron-beam irradiation of nanoparticle suspensions. This enables life video-recording of materials reactions in liquid, with nm resolution. We introduce image quantification to measure detailed rates of dissolution as a function of time and particle size to be compared with literature data. Giant dissolution rates, exceeding any previous reports for chemical dissolution rates at room temperature by many orders of magnitude, are discovered. The reasons for this accelerated dissolution are outlined, including the importance of the radiolysis of water preceding the ceria attack. Electron-water interaction generates radicals, ions, and hydrated electrons, which assist in hydration and reductive dissolution of oxide minerals. The presented methodology has the potential to become a novel accelerated testing procedure to compare multiple nanoscale materials for relative aqueous durability. The ceria-water system is of crucial importance for the fields of catalysis, abrasive polishing, environmental remediation, and as simulant for actinide oxide behaviour in contact with liquid for nuclear engineering.
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BACKGROUND: Little is known about neonatal pain in Pakistan. So, to know about neonatal pain, its scoring and the effectiveness of oral dextrose in neonatal pain management we carried this study in neonatal intensive care unit (NICU) of military hospital (MH) Rawalpindi. METHODS: This randomized control trial was carried out in NICU of MH, Rawalpindi from Jan to Dec 2013. Total of 252 babies were enrolled in the study. We assessed neonatal pain by using Modified Behavioural Pain Scale (MBPS). Babies were given 10% dextrose and sterile water two minutes before a painful procedure and pain assessment was done after the procedure. The different painful procedures included, heel prick, nasogastric (NG) tube insertion, cannulation, catheterization and venepuncture for blood sampling. RESULTS: A total of 252 babies were enrolled in the study. Of these 139 (55%) were male and 113 (45%) were female babies. Painful procedures included heel lancing 120 (48%), I/V cannulations 60 (24%), venepuncture 40 (16%), NG insertion 26 (10%) and Foley catheterization 6 (2%). Mean MBPS score with 10% dextrose and sterile water were 4.31 and 6.26 respectively and the difference between two was significant statically. CONCLUSIONS: Oral dextrose is a cheap and easily available solution and can be used in neonatal pain management during various painful procedures.
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Recolección de Muestras de Sangre/efectos adversos , Talón/fisiopatología , Dimensión del Dolor , Dolor , Femenino , Glucosa , Humanos , Recién Nacido , Masculino , Dolor/etiología , Dolor/prevención & controlRESUMEN
Developing a high-performance photocatalyst and a photoelectrode with enhanced visible light harvesting properties is essential for practical visible light photocatalytic applications. Noble metal-free, highly visible light-active, elemental red phosphorus (RP) was prepared by a facile mechanical ball milling method, which is a reproducible, low cost and controllable synthesis process. The synthesis used inexpensive and abundant raw materials because most RP hybrids are based on expensive noble-metals. The novel milled RP showed significantly enhanced photocatalytic and photoelectrochemical performances with a lower charge transfer resistance compared to commercial RP under wide visible photoirradiation, making it a feasible alternative for photocatalytic applications.
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Fibrous Pani-MnO2 nanocomposite were prepared using a one-step and scalable in situ chemical oxidative polymerization method. The formation, structural and morphological properties were investigated using a range of characterization techniques. The electrochemical capacitive behavior of the fibrous Pani-MnO2 nanocomposite was examined by cyclic voltammetry and galvanostatic charge-discharge measurements using a three-electrode experimental setup in an aqueous electrolyte. The fibrous Pani-MnO2 nanocomposite achieved high capacitance (525 F g(-1) at a current density of 2 A g(-1)) and excellent cycling stability of 76.9% after 1000 cycles at 10 A g(-1). Furthermore, the microbial fuel cell constructed with the fibrous Pani-MnO2 cathode catalyst showed an improved power density of 0.0588 W m(-2), which was higher than that of pure Pani and carbon paper, respectively. The improved electrochemical supercapacitive performance and cathode catalyst performance in microbial fuel cells were attributed mainly to the synergistic effect of Pani and MnO2 in fibrous Pani-MnO2, which provides high surface area for the electrode/electrolyte contact as well as electronic conductive channels and exhibits pseudocapacitance behavior.
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Compuestos de Anilina/química , Fuentes de Energía Bioeléctrica , Electrodos , Compuestos de Manganeso/química , Nanocompuestos/química , Óxidos/química , Catálisis , Microscopía Electrónica de Rastreo , Difracción de Rayos XRESUMEN
Apoptotic cell death is the cause of the loss of insulin-producing ß-cells in all forms of diabetes mellitus. The identification of small molecules capable of protecting cytokine-induced apoptosis could form the basis of useful therapeutic interventions. Here in, we present the discovery and synthesis of new benzimidazole derivatives, capable of rescuing pancreatic ß-cells from cytokine-induced apoptosis. Three hydrazone derivatives of benzimidazole significantly increased the cellular ATP levels, reduced caspase-3 activity, reduced nitrite production and increased glucose-stimulated insulin secretion in the presence of proinflammatory cytokines. These findings suggest that these compounds may protect ß-cells from the harmful effects of cytokines and may serve as candidates for therapeutic intervention for diabetes.
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Apoptosis/efectos de los fármacos , Bencimidazoles/química , Bencimidazoles/farmacología , Citocinas/metabolismo , Células Secretoras de Insulina/efectos de los fármacos , Sustancias Protectoras/farmacología , Animales , Bencimidazoles/síntesis química , Línea Celular Tumoral , Supervivencia Celular/efectos de los fármacos , Relación Dosis-Respuesta a Droga , Células Secretoras de Insulina/citología , Células Secretoras de Insulina/patología , Estructura Molecular , Sustancias Protectoras/síntesis química , Sustancias Protectoras/química , Ratas , Relación Estructura-ActividadRESUMEN
Neonates with congenital malaria may present with non-specific signs and symptoms which may be mistaken for neonatal sepsis and inborn error of metabolism resulting in delay of diagnosis.and significant mortality and morbidity. Here we present a unique case of 25 days old premature female baby who was diagnosed to have mixed malarial infection. Despite standard treatment the patient was not responding well and was also diagnosed to have congenital adrenal hyperplasia.
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Enfermedades Fetales/diagnóstico , Recien Nacido Prematuro , Malaria/congénito , Femenino , Humanos , Recién Nacido , Malaria/diagnóstico , EmbarazoRESUMEN
BACKGROUND: African Americans with lupus who receive kidney transplants have high prevalence of predictors of allograft failure, which can explain their poor outcomes. METHODS: Of 1223 African Americans and 1029 Caucasian Americans with lupus who received kidney transplants from deceased donors between 1987 and 2006 with complete records in the UNOS program, 741 pairs were matched in 16 predictors employing a predicted probability of group membership. The primary outcome was allograft failure. Main secondary outcomes were rejection, allograft failure due to rejection, and mortality. RESULTS: Matched pairs were predominantly women (82%) with a mean age of 39 years. Twenty-four percent of recipients received kidneys from expanded criteria donors. African Americans and Caucasian Americans matched well (p ≥ 0.05): donor age, gender and race; recipient age, gender, education and insurance; dialysis prior to transplant, kidneys from expanded criteria donors, cold ischemia time, history of prior kidney transplant, panel reactive antibodies, human leukocyte antigens mismatch, blood type compatibility, transplant Era, and follow-up time. Contrary to the unmatched cohort with significantly higher allograft failure rate (events per 100 patient-years) in African Americans compared to Caucasian Americans (10.49 vs 6.18, p<0.001), matched pairs had similar allograft failure rates (8.41 vs 7.81, p=0.418). Matched pairs also had similar rates of rejections (9.82 vs 9.39, p=0.602), allograft failure due to rejection (6.19 vs 5.71, p=0.453), and mortality (2.79 vs 3.52, p=0.097). CONCLUSION: In lupus recipients of kidney transplants from deceased donors, African American and Caucasian Americans have similar allograft failure rates when predictors are matched between groups.
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Supervivencia de Injerto , Trasplante de Riñón , Nefritis Lúpica/cirugía , Adulto , Negro o Afroamericano , Aloinjertos , Estudios de Cohortes , Femenino , Supervivencia de Injerto/inmunología , Prueba de Histocompatibilidad , Humanos , Fallo Renal Crónico/etiología , Fallo Renal Crónico/cirugía , Trasplante de Riñón/efectos adversos , Nefritis Lúpica/complicaciones , Masculino , Donantes de Tejidos , Estados Unidos , Población BlancaRESUMEN
BACKGROUND: Loose motion is a common symptom in patients reporting to our hospital. As it is a small set up where only facility for microscopic stool examination is available, we designed this study to know how much microscopic stool examination can help us in management of patients with diarrhoea. METHODS: This cross-sectional descriptive study was conducted from January 2010 to April 2012, at Thall Scout Hospital, Hangoo, Khyber Pukhtoon Khwa, Pakistan. All the patients presenting with acute diarrhoea were included in the study. Patients older than 12 years of age were labelled as adults and those 12 years or younger as child. Stool specimens were collected using proper procedure and were examined microscopically. RESULTS: Of 494 stool specimens examined, 117 (23.68%) were positive for parasites or their ova, 34 (6.88%) had numerous pus and red blood cells and 343 (69.43%) patients had only stool of loose/soft consistency. Of 117 stool specimens positive for parasites, Giardia lamblia was detected in 67 (57.26%) patients, Entamoeba histolytica in 22 (18.80%) patients, H. nana in 10 (8.55%) patients, Tenea saginata in 8(6.84%) patients, hook worm in 6 (5.13%) patients, ascarids in 2 (1.71%) and Trichuris trichura in 2 (1.71%) patients. CONCLUSION: Among the parasitic causes of diarrhoea, giardia is the most common cause in our study with entameoba the second most common cause.
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Diarrea/parasitología , Heces/citología , Heces/parasitología , Parasitosis Intestinales/diagnóstico , Microscopía , Enfermedad Aguda , Adolescente , Adulto , Niño , Estudios Transversales , Diarrea/microbiología , Eritrocitos , Femenino , Humanos , Parasitosis Intestinales/parasitología , Masculino , Supuración , Adulto JovenRESUMEN
UNLABELLED: Objective s : To determine the recurrence rate following Conjunctival Autograft versus Mitomycin C for pterygium excision. METHODS: Fifty Patients in this Randomized Clinical Trial who underwent pterygium excision from July 2013 to October 2013 at Department of Ophthalmology, Ziauddin University Hospital, Keamari, Karachi were included. All patients underwent detailed ophthalmic examination before surgery. Few drops of lidocaine were instilled, subconjunctival xylocaine 2% was injected. The pterygium was then excised from bulabar conjunctiva and peeled off from the corneal surface. Mitomycin C was applied to bare sclera in group A and Conjunctival autograft taken from superior bulbar conjunctiva of same eye was sutured to the bare sclera in group B. Data for pterygium recurrence was collected and analyzed using SPSS version 17. RESULTS: Among the 50 patients operated 64% (n=32) were male and 36% (n=18) female. Their age ranged from 28 -58 years with mean age 44.8yrs. Right eye was affected in 54% (n= 27) patients and left in 46% (n= 23). In group "A" (intraoperative MMC) conjunctival granuloma was noted in 1(4%), pterygium recurrence 4(16%) and ocular irritation was experienced by 5 (20%) patients. In group "B" (CAG) graft retraction was seen in 2(8%), patients, 1(4%) patients experienced persistent redness over the grafted tissue and pterygium recurrence was seen in 2(8%) patient. All of them were followed at day 1, week1, week 4 and week 12. CONCLUSION: Both Conjunctival Autograft and Mitomycin C are effective in reducing the recurrence of pterygium but CAG gives better cosmetic results, the only drawback with it is the duration of the procedure.
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Null.
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Antibacterianos , Farmacorresistencia Bacteriana Múltiple , Salmonella typhi , Fiebre Tifoidea , Humanos , Salmonella typhi/efectos de los fármacos , Salmonella typhi/aislamiento & purificación , Fiebre Tifoidea/tratamiento farmacológico , Fiebre Tifoidea/epidemiología , Fiebre Tifoidea/microbiología , Antibacterianos/uso terapéutico , Pakistán/epidemiologíaRESUMEN
Atomic layer deposition (ALD) has become the most widely used thin-film deposition technique in various fields due to its unique advantages, such as self-terminating growth, precise thickness control, and excellent deposition quality. In the energy storage domain, ALD has shown great potential for supercapacitors (SCs) by enabling the construction and surface engineering of novel electrode materials. This review aims to present a comprehensive outlook on the development, achievements, and design of advanced electrodes involving the application of ALD for realizing high-performance SCs to date, as organized in several sections of this paper. Specifically, this review focuses on understanding the influence of ALD parameters on the electrochemical performance and discusses the ALD of nanostructured electrochemically active electrode materials on various templates for SCs. It examines the influence of ALD parameters on electrochemical performance and highlights ALD's role in passivating electrodes and creating 3D nanoarchitectures. The relationship between synthesis procedures and SC properties is analyzed to guide future research in preparing materials for various applications. Finally, it is concluded by suggesting the directions and scope of future research and development to further leverage the unique advantages of ALD for fabricating new materials and harness the unexplored opportunities in the fabrication of advanced-generation SCs.
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The development of advanced materials for energy storage and gas sensing applications has gained significant attention in recent years. In this study, we synthesized and characterized PANI@MnO2@rGO ternary nanocomposites (NCs) to explore their potential in supercapacitors and gas sensing devices. The ternary NCs were synthesized through a multi-step process involving the hydrothermal synthesis of MnO2 nanoparticles, preparation of PANI@rGO composites and the assembly to the ternary PANI@MnO2@rGO ternary NCs. The structural, morphological, and compositional characteristics of the materials were thoroughly analyzed using techniques such as XRD, FESEM, TEM, FTIR, and Raman spectroscopy. In the realm of gas sensing, the ternary NCs exhibited excellent performance as NH3 gas sensors. The optimized operating temperature of 100 °C yielded a peak response of 15.56 towards 50 ppm NH3. The nanocomposites demonstrated fast response and recovery times of 6 s and 10 s, respectively, and displayed remarkable selectivity for NH3 gas over other tested gases. For supercapacitor applications, the electrochemical performance of the ternary NCs was evaluated using cyclic voltammetry and galvanostatic charge-discharge techniques. The composites exhibited pseudocapacitive behavior, with the capacitance reaching up to 185 F/g at 1 A/g and excellent capacitance retention of approximately 88.54% over 4000 charge-discharge cycles. The unique combination of rGO, PANI, and MnO2 nanoparticles in these ternary NCs offer synergistic advantages, showcasing their potential to address challenges in energy storage and gas sensing technologies.
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Compuestos de Manganeso , Nanocompuestos , Óxidos , Fenómenos Físicos , GasesRESUMEN
In the current study, Azo-Thiohydantoins derivatives were synthesized and characterized by using various spectroscopic techniques including FTIR, 1H-NMR, 13C-NMR, elemental and HRMS analysis. The compounds were evaluated for alkaline phosphatase activity and it was observed that among all the synthesized compounds, derivative 7e exhibited substantial inhibitory activity (IC50 = 0.308 ± 0.065 µM), surpassing the standard inhibitor (L-Phenyl alanine, IC50 = 80.2 ± 1.1 µM). Along with this, these derivatives were comprehensively examined regarding the electronic properties and reactivity of the synthesized compounds using Density Functional Theory (DFT) calculations, where the results were found very promising and the synthesized compound were found stable. After that, SwissADME evaluations highlighted compounds for their favorable physicochemical properties, including solubility and drug-likeness. Molecular docking exhibited the strong binding affinities of 7f and 7e derivatives with intestinal alkaline phosphatase (IAP), further supported by Molecular Dynamics (MD) simulations. This comprehensive integration of experimental and computational approaches sheds the light on the potential therapeutic applications of the synthesized compounds. By providing a detailed investigation of these aspects, this research opens the avenues for the development of novel pharmacologically active compounds with diverse applications.