Your browser doesn't support javascript.
loading
Show: 20 | 50 | 100
Results 1 - 20 de 104
Filter
1.
Sci Rep ; 14(1): 13594, 2024 Jun 12.
Article in English | MEDLINE | ID: mdl-38867065

ABSTRACT

This research presents a compact portable electronic gas sensor that can be monitored through a smartphone application. The smart sensor utilizes three state-of-the-art sensors. The sensors integrate an ESP8266 microcontroller within the same device. This facilitates their integration with the electronics and enhances their performance. Herein, primarily focuses on utilizing the sensor to detect carbon monoxide. This article outlines the fabrication process of a gas sensor utilizing a P-N heterojunction, eliminating the need for a binder. The sensor consists of CuO/copper foam nanowires and hierarchical In2O3. In order to verify the system's functionality, it underwent testing with various levels of CO concentrations (10-900 ppm), including particular tests designed to examine the device's performance in different humidity and temperature circumstances. A mobile application for the provision of monitoring services has been developed at last. To process the information obtained from the gas sensor, an algorithm has been constructed, trained, and integrated into a smartphone for this purpose. This research demonstrated that a smartphone-coupled gas sensor is a viable system for real-time monitoring and the detection of CO gas.

2.
Sci Rep ; 14(1): 11526, 2024 05 21.
Article in English | MEDLINE | ID: mdl-38773136

ABSTRACT

This paper reports on the development of a flexible-wearable potentiometric sensor for real-time monitoring of sodium ion (Na+), potassium ion (K+), and pH in human sweat. Na0.44MnO2, polyaniline, and K2Co[Fe(CN)6] were used as sensing materials for Na+, H+ and K+ monitoring, respectively. The simultaneous potentiometric Na+, K+, and pH sensing were carried out by the developed sensor, which enables signal collection and transmission in real-time to the smartphone via a Wi-Fi access point. Then, the potentiometric responses were evaluated by a designed android application. Na+, K+, and pH sensors illustrated high sensitivity (59.7 ± 0.8 mV/decade for Na+, 57.8 ± 0.9 mV/decade for K+, and 54.7 ± 0.6 mV/pH for pH), excellent stability, and good batch-to-batch reproducibility. The results of on-body experiments demonstrated that the proposed platform is capable of real-time monitoring of the investigated ions.


Subject(s)
Potassium , Potentiometry , Sodium , Sweat , Wearable Electronic Devices , Humans , Hydrogen-Ion Concentration , Potentiometry/methods , Potentiometry/instrumentation , Sodium/analysis , Sweat/chemistry , Potassium/analysis , Biosensing Techniques/instrumentation , Biosensing Techniques/methods , Wireless Technology/instrumentation , Smartphone , Reproducibility of Results
3.
Talanta ; 274: 126041, 2024 Jul 01.
Article in English | MEDLINE | ID: mdl-38581854

ABSTRACT

This paper presents the development and optimization of a cost-effective paper electrochemical sensor for the detection of TNT using Fe3O4-Au core-shell nanoparticles modified with cysteamine (Fe3O4@Au/CA). The sensor was constructed by modifying a graphite paste with the aforementioned nanoparticles, which facilitated the formation of a Meisenheimer complex between cysteamine and TNT as an electron donor and an electron acceptor, respectively. The central composite design was employed to optimize four key parameters pH, modifier percentage, contact time, and buffer type to enhance the performance of the sensor. The detection limit was found to be 0.5 nM of TNT, while the linear range of the electrode response spanned from 0.002 µM to 10 µM. The simplicity and low cost of the sensor make it highly attractive for practical applications, particularly in scenarios where rapid and on-site TNT detection is required.

4.
Sci Rep ; 14(1): 2480, 2024 Jan 30.
Article in English | MEDLINE | ID: mdl-38291089

ABSTRACT

2,4-Dinitrotoluene (2,4-DNT) as a priority and hazardous pollutant, is widely used in industrial and military activities. In this study the synergistic effect of Fe-RGO-BiVO4 nanocomposite in a non-thermal dielectric barrier discharge plasma reactor (NTP-DBD) for degrading 2,4-DNT was evaluated. Preparation of the Fe-RGO-BiVO4 nanocomposite was done by a stepwise chemical method depositing Fe and reduced graphene oxide (RGO) on BiVO4. Field emission scanning electron microscopy (FESEM), X-ray diffraction analysis (XRD), UV-vis diffuse reflectance spectra (DRS), and energy-dispersive X-ray spectroscopy mapping (EDS-mapping) validated the satisfactory synthesis of Fe-RGO-BiVO4. To find the optimal conditions and to determine the interaction of model parameters, a central composite design (RSM-CCD) had been employed. 2,4 DNT can be completely degraded at: initial 2,4-DNT concentration of 40 mg L-1, Fe-RGO-BiVO4 dosage of 0.75 g L-1, applied voltage of 21kV, reaction time of 30 min and pH equal to 7, while the single plasma process reached a degradation efficiency of 67%. The removal efficiency of chemical oxygen demand (COD) and total organic carbon (TOC) were 90.62% and 88.02% at 30 min contact time, respectively. Results also indicated that average oxidation state (AOS) and carbon oxidation state (COS) were enhanced in the catalytic NTP-DBD process, which demonstrate the effectiveness of proposed process for facilitating biodegradability of 2,4-DNT.

5.
Cancers (Basel) ; 15(21)2023 Nov 02.
Article in English | MEDLINE | ID: mdl-37958442

ABSTRACT

Rhabdomyosarcoma is a rare cancer arising in skeletal muscle that typically impacts children and young adults. It is a worldwide challenge in child health as treatment outcomes for metastatic and recurrent disease still pose a major concern for both basic and clinical scientists. The treatment strategies for rhabdomyosarcoma include multi-agent chemotherapies after surgical resection with or without ionization radiotherapy. In this comprehensive review, we first provide a detailed clinical understanding of rhabdomyosarcoma including its classification and subtypes, diagnosis, and treatment strategies. Later, we focus on chemotherapy strategies for this childhood sarcoma and discuss the impact of three mechanisms that are involved in the chemotherapy response including apoptosis, macro-autophagy, and the unfolded protein response. Finally, we discuss in vivo mouse and zebrafish models and in vitro three-dimensional bioengineering models of rhabdomyosarcoma to screen future therapeutic approaches and promote muscle regeneration.

6.
Sci Rep ; 13(1): 19389, 2023 11 08.
Article in English | MEDLINE | ID: mdl-37938669

ABSTRACT

In recent years, several nanocarrier synthesis methods have been developed. In cancer therapy, the use of smart nanocarriers is of interest. Smart nanocarriers respond to their environment and can release their cargo in a controlled manner under the action of internal or external stimuli. In this work, we report on the development of an aerosol-assisted method for the synthesis of curcumin-loaded chitosan/alginate-based polymeric nanocarrier (CurNCs). A custom-fabricated multi-nebulizer system was utilized for the synthesis of CurNCs. The developed system comprises three main parts a sprayer, an electric heater tunnel, and a collector. Curcumin and chitosan solutions were sprayed using a pneumatic multinebulizer into the electric heater tunnel to form chitosan-curcumin assemblies. Then, the aerosol was guided into the collector solution containing sodium alginate and tri-poly phosphate aqueous solution for further cross-linkage. The synthesized CurNCs were characterized using TEM, DLS, and FTIR techniques. The TEM size of the nanoparticles was 8.62 ± 2.25 nm. The release experiments revealed that the nanocarrier is sensitive to the environment pH as more curcumin is released at acidic pH values (as is the case for cancerous tissues) compared to physiological pH. The curcumin content of the nanocarrier was 77.27 mg g-1 with a drug loading efficiency of 62%. The in-vitro cytotoxicity of the synthesized nanocarrier was evaluated against the MCF7 breast cancer cell line. The IC50 concentrations for CurNCs and curcumin were obtained as 14.86 and 16.45 mg mL-1, respectively. The results showed that while the empty nanocarrier shows non-significant cytotoxicity, the CurNCs impact the cell culture and cause prolonged cell deaths. Overall, pH-responsive curcumin polymeric nanocarrier was synthesized using a custom fabricated aerosol-based method. The method enabled fast and feasible synthesis of the nanocarrier with high efficiency.


Subject(s)
Antineoplastic Agents , Chitosan , Curcumin , Curcumin/pharmacology , Aerosols , Alginates , Polymers , Antineoplastic Agents/pharmacology , Hydrogen-Ion Concentration
7.
Sci Rep ; 13(1): 11381, 2023 07 14.
Article in English | MEDLINE | ID: mdl-37452101

ABSTRACT

Electrochemical impedance spectroscopy (EIS) is a highly effective technique for studying the surface of electrodes in great detail. EIS-based electrochemical sensors have been widely reported, which measure the charge transfer resistance (Rct) of redox probes on electrode surfaces to monitor the binding of target molecules. One of the protective drugs against hemorrhagic cystitis caused by oxazaphosphorine chemotherapy drugs such as ifosfamide, cyclophosphamide and trophosphamide is Mesna (sodium salt of 2-mercaptoethanesulfonate). The increase in the use of Mesna due to the high consumption of anti-cancer drugs, the determination of this drug in biological samples is of particular importance. So far, no electrochemical method has been reported to measure Mesna. In this research, a novel impedimetric sensor based on a glassy carbon electrode (GCE) modified with oxidized multiwalled carbon nanotubes (MWCNTs)/gold nanoparticle (AuNPs) (denoted as Au NPs/MWCNTs/GCE) for impedimetric determination of Mesna anticancer drug was developed. The modified electrode materials were characterized by field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX), and EIS. The electrochemical behavior of Mesna at the surface of Au NPs/MWCNTs/GCE was studied by an impedimetric method. The detection mechanism of Mesna using the proposed impedimetric sensor relied on the increase in the Rct value of [Fe (CN)6]3-/4- as an electrochemical probe in the presence of Mesna compared to the absence of Mesna as the analyte. Under the optimum condition, which covered two linear dynamic ranges from 0.06 nmol L-1 to 1.0 nmol L-1 and 1.0 nmol L-1 to 130.0 µmol L-1, respectively. The detection limit was 0.02 nmol L-1. Finally, the performance of the proposed sensor was investigated for Mesna electrochemical detection in biological samples.


Subject(s)
Antineoplastic Agents , Metal Nanoparticles , Nanotubes, Carbon , Metal Nanoparticles/chemistry , Mesna , Gold/chemistry , Nanotubes, Carbon/chemistry , Electrodes , Electrochemical Techniques , Limit of Detection
8.
Sci Rep ; 13(1): 6217, 2023 04 17.
Article in English | MEDLINE | ID: mdl-37069217

ABSTRACT

This paper reports on developing a low cost but efficient paired emitter-detector diode (PEDD)-based photometer. The photometer consists of a white light-emitting diode (LED) as the emitter diode, an RGB LED as the detector diode, and a multimeter for recoding the signal. The developed PEDD-based photometer was utilized for the determination of liquid bleach adulteration in cow milk samples. N,N-Diethyl-p-phenylenediamine sulfate aqueous solution of pH 6 was used as a probe to monitor the presence of residual active chlorine in milk. The results showed that the developed method could be used to determine sodium hypochlorite in the concentration range of 0.5 to 20.0 ppm Cl2 with 0.14 and 0.46 ppm Cl2 limit of detection and limit of quantification, respectively. The intraday and interday precisions of the method at two concentration levels of 5.5 and 13.7 ppm Cl2 were 1.04% and 0.52%, and 1.81% and 1.02%, respectively. The recoveries of 114.2% and 106.9% were obtained for 5.5 and 13.7 ppm Cl2 concentrations levels, respectively. Real sample analyzes results showed that "maybe" liquid bleach adulteration in milk is the case for local distributors of raw milk.


Subject(s)
Milk , Sodium Hypochlorite , Animals , Photometry/methods
9.
J Pharm Sci ; 112(8): 2249-2259, 2023 08.
Article in English | MEDLINE | ID: mdl-36921801

ABSTRACT

A serious challenge in transdermal iontophoresis (IP) delivery of insulin (INS) is the low permeability of the drug across the skin. In this paper, we introduced deep eutectic solvent (DESs) as novel chemical penetration enhancers (CPEs) for transdermal IP of INS across rat skin, both in vitro and in vivo. Three different DESs based on choline chloride (ChCl), namely, ChCl/UR (ChCl and urea), ChCl/GLY (ChCl and glycerol), and ChCl/EG (ChCl and ethylene glycol) in the 1:2 molar ratios have been prepared. To evaluate the capability of studied DESs as CPEs for IP delivery of INS, the rat skin sample was treated with each DES. The effects of different experimental parameters (current density, formulation pH, INS concentration, NaCl concentration, and treatment time) on the in vitro transdermal iontophoretic delivery of INS were investigated. The in vitro permeation studies exhibited that INS was easily delivered employing ChCl/EG, and ChCl/GLY treatments, compared with ChCl/UR: the cumulative amount of permeated INS at the end of the experiment (Q24h) was found to be 131.0, 89.4, and 29.6 µg cm-2 in the presence of ChCl/EG, ChCl/GLY, and ChCl/UR, respectively. The differences in Q24h values of INS are due to the different capabilities of the studied DESs to treat the epidermis layer of skin. In vivo experiments revealed that the blood glucose level in diabetic rats could be decreased using ChCl/EG, and ChCl/GLY as novel CPEs in the IP delivery of INS. The presented work will open new doors towards searching for novel CPEs in the development of transdermal IP of INS.


Subject(s)
Diabetes Mellitus, Experimental , Insulin , Rats , Animals , Iontophoresis , Deep Eutectic Solvents , Diabetes Mellitus, Experimental/drug therapy , Administration, Cutaneous , Solvents
10.
Talanta ; 257: 124381, 2023 May 15.
Article in English | MEDLINE | ID: mdl-36801757

ABSTRACT

Detection of trace amounts of 2,4,6-Trinitrotoluene as a widely used explosive in the military and industrial sectors is of vital importance due to security and environmental concerns. The sensitive and selective measurement characteristics of the compound still is considered a challenge for analytical chemists. Unlike conventional optical and electrochemical methods, the electrochemical impedance spectroscopy technique (EIS), has a very high sensitivity, but it faces a significant challenge in that it requires complex and expensive steps to modify the electrode surface with selective agents. We reported the design and construction of an inexpensive, simple, sensitive, and selective impedimetric electrochemical TNT sensor based on the formation of a Meisenheimer complex between magnetic multiwalled carbon nanotubes modified with aminopropyl triethoxysilane (MMWCNTs @ APTES) and TNT. The formation of the mentioned charge transfer complex at the electrode-solution interface blocks the electrode surface and disrupts the charge transfer in [(Fe (CN) 6)] 3-/4- redox probe system. Charge transfer resistance changes (ΔRCT) were used as an analytical response that corresponded to TNT concentration. To investigate the influence of effective parameters on the electrode response, such as pH, contact time, and modifier percentage, the response surface methodology based on central composite design (RSM-CCD) was used. The calibration curve was achieved in the range of 1-500 nM with a detection limit of 0.15 nM under optimal conditions, which included pH of 8.29, contact time of 479 s, and modifier percentage of 12.38% (w/w). The selectivity of the constructed electrode towards several nitroaromatic species was investigated, and no significant interference was found. Finally, the proposed sensor was able to successfully measure TNT in various water samples with satisfactory recovery percentages.

11.
Food Chem ; 402: 134246, 2023 Feb 15.
Article in English | MEDLINE | ID: mdl-36116276

ABSTRACT

Heavy metals determination is of great importance. In this respect, a recently synthesized melamine-based covalent organic framework (Schiff base network1 (SNW1)) was used in this research as a novel modifier to alter a glassy carbon electrode for the simultaneous anodic stripping square wave voltammetric measurement of Pb2+ and Hg2+ ions. At first, the complexation of SNW1 with Pb2+ and Hg2+ ions were evaluated by density functional theory calculations. Afterward, the modified electrode was characterized by various techniques including Fourier-transform infrared spectroscopy, Scanning electron microscopy, energy dispersive X-ray analysis, cyclic voltammetry, and electrochemical impedance spectroscopy. Then, all of the effective experimental factors including pH, supporting electrolyte type, and instrumental parameters were optimized. Under optimized conditions (pH = 2.0, deposition time = 150 S, accumulation potential = -1000 (mV), pulse amplitude = 40 mV, frequency = 50 Hz, and voltage step = 7 mV) the designed sensor showed a linear response over the concentration ranges of 0.01-0.3 and 0.05-0.3 µmol/L for Pb2+ and Hg2+ respectively with a detection limit of 0.00072 and 0.01211 µmol/L. In the end, the designed electrochemical sensor was successfully employed for simultaneous measurement of Pb2+ and Hg2+ at different edible samples.


Subject(s)
Mercury , Metal-Organic Frameworks , Metals, Heavy , Carbon/chemistry , Lead , Schiff Bases/chemistry , Cadmium/analysis , Mercury/analysis , Electrodes , Metals, Heavy/analysis , Ions/chemistry
12.
Mikrochim Acta ; 190(1): 37, 2022 12 26.
Article in English | MEDLINE | ID: mdl-36571644

ABSTRACT

It was demonstrated that the mechanism of the inner filter effect (IFE) can emerge well in the resonance Rayleigh scattering (RRS) technique and be utilized as a new analytical method in the design of innovative IFE-based sensors. To prove this process, silver nanocubes (Ag NCs) with tunable extinction spectra were selected as RRS probes, and three analytes, doxorubicin (DOX), sunitinib (SUN), and Alizarin Red S (ARS), were considered as the typical absorbers. In addition, in the presence of SUN as a typical analyte, the quenching of the RRS signal of Ag NCs, with λmax of 419 nm, was linear in the range 0.01 to 2.5 µM of SUN. The limit of detection (LOD) was 0.0025 µM. The introduced method was then used to develop a dual-signal assay for the ratiometric determination of Al3+ ions. The suggested dual-signal assay was based on the color changes of ARS caused by Al3+ and the IFE between ARS and Ag NCs. The obtained results showed that the two characteristics of response sensitivity and linear dynamic range are very satisfactory for sensing Al3+ ions. The findings of this study demonstrate that the newly developed IFE mechanism can be employed as an attractive and highly efficient analytical technique for measuring different analytes.


Subject(s)
Silver , Scattering, Radiation , Limit of Detection , Ions
13.
Int J Mol Sci ; 23(24)2022 Dec 19.
Article in English | MEDLINE | ID: mdl-36555829

ABSTRACT

Biomaterials for tissue scaffolds are key components in modern tissue engineering and regenerative medicine. Targeted reconstructive therapies require a proper choice of biomaterial and an adequate choice of cells to be seeded on it. The introduction of stem cells, and the transdifferentiation procedures, into regenerative medicine opened a new era and created new challenges for modern biomaterials. They must not only fulfill the mechanical functions of a scaffold for implanted cells and represent the expected mechanical strength of the artificial tissue, but furthermore, they should also assure their survival and, if possible, affect their desired way of differentiation. This paper aims to review how modern biomaterials, including synthetic (i.e., polylactic acid, polyurethane, polyvinyl alcohol, polyethylene terephthalate, ceramics) and natural (i.e., silk fibroin, decellularized scaffolds), both non-biodegradable and biodegradable, could influence (tissue) stem cells fate, regulate and direct their differentiation into desired target somatic cells.


Subject(s)
Biocompatible Materials , Tissue Scaffolds , Biocompatible Materials/pharmacology , Tissue Engineering/methods , Regenerative Medicine , Cell Differentiation
14.
Sci Rep ; 12(1): 19202, 2022 11 10.
Article in English | MEDLINE | ID: mdl-36357771

ABSTRACT

Despite the presence of light-sensitive species in the polyol synthesis of silver nanocubes, the influence of light on it has yet to be investigated. Herein, we demonstrated that light radiation, by generating plasmon-based hot electrons and subsequently increasing the reduction rate of Ag+ in the system, in addition to enhancing the growth rate of nanocubes, causes twinned seeds, which these seeds are then converted into nanorods and right bipyramids. With shorter, higher energy wavelengths, Ag+ reduction progresses more quickly, resulting in structures with more twin planes. The overlap of the excitation wavelength and the band gap of Ag2S clusters formed in the early stages of synthesis accelerates the rate of reaction at low-energy excitation. According to our findings, the surfactant polyvinylpyrrolidone acts as a photochemical relay to drive the growth of silver nanoparticles. Overall, this work emphasizes the impact of excitation light on polyol synthesis as a technique for generating Ag nanocubes of various sizes.


Subject(s)
Metal Nanoparticles , Silver , Silver/chemistry , Metal Nanoparticles/chemistry , Particle Size , Polymers/chemistry
15.
Talanta ; 250: 123716, 2022 Dec 01.
Article in English | MEDLINE | ID: mdl-35792444

ABSTRACT

In this research, a highly sensitive electrochemical sensor was developed for the square wave anodic stripping voltammetric determination of Pb2+ at ultra-trace levels. A Glassy carbon electrode was modified with an in-situ electroplated bismuth film and the nanocomposite of a recently synthesized melamine based covalent organic framework (schiff base network1 (SNW1)) and Fe3O4 nanoparticles (Fe3O4@SNW1). The obtained results exhibit clearly that combination of Fe3O4@SNW1 and in-situ electroplated bismuth film enhances the sensitivity of the modified electrode towards Pb2+ remarkably. A Plackett-Burman design was implemented for screening experimental factors to specify the significant variables influencing the sensitivity of the electroanalytical method. Afterward, the effective factors were optimized using Box-Behnken design (BBD). Under optimized conditions, the proposed electrode showed a linear response towards Pb2+ in the concentration range of 0.003-0.3 µmol L-1 with the detection limit of 0.95 nmol L-1. The selectivity of the fabricated electrode towards different ionic species were checked out and no serious interference was observed. At the end, the application of the designed sensor in the determination of Pb2+ at 10 different edible specimens were investigated and the obtained recovery values were in the range of (95.56-106.64%) indicating the successful performance of the designed sensor.


Subject(s)
Carbon , Metal-Organic Frameworks , Bismuth , Electrochemical Techniques/methods , Electrodes , Lead , Schiff Bases
16.
Bioelectrochemistry ; 147: 108200, 2022 Oct.
Article in English | MEDLINE | ID: mdl-35816908

ABSTRACT

In this work, an ultrasensitive immunosensor for amperometric determination of alpha-fetoprotein (AFP) was developed utilizing Ag and Cu nanoparticles on polydopamine (PDA) functionalized cellulose nanofibrils (CNFs) composite (CNFs/PDA/Cu-Ag) as signal amplifier. PDA was first prepared by self-polymerizing of dopamine, and then was adsorbed on CNFs. The obtained CNFs/PDA was applied as substrate to electrolessly deposit Cu-Ag nanoparticles, using NaBH4 as reducing agent. The structure and morphology of the synthesized CNFs/PDA/Cu-Ag nanocomposite were analyzed through Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, X-ray powder diffraction, scanning electron microscopy, particle size analyzer and transmission electron microscopy. The CNFs/PDA/Cu-Ag modified glassy carbon electrode can fix AFP antibody (Ab), and further capture AFP specifically. Electrochemical impedance spectroscopy and cyclic voltammetry were used to characterize the assembly process of immunosensor. The immunoreaction was amplified by electrocatalytical reduction of H2O2 on Cu-Ag nanoparticles, through which AFP was quantitatively detected. The developed sensor exhibits wide linear range of 0.01-100 ng mL-1 (R2 = 0.9963) with low detection limit of 4.27 pg mL-1 (S/N = 3). In addition, it has been used for the detection of AFP in human serum, manifesting its preeminent application prospect in early liver cancer diagnosis.


Subject(s)
Biosensing Techniques , Metal Nanoparticles , Nanocomposites , Biosensing Techniques/methods , Cellulose , Copper , Electrochemical Techniques/methods , Humans , Hydrogen Peroxide/chemistry , Immunoassay/methods , Indoles , Limit of Detection , Metal Nanoparticles/chemistry , Nanocomposites/chemistry , Polymers , Silver , alpha-Fetoproteins
17.
Sci Rep ; 12(1): 6090, 2022 04 12.
Article in English | MEDLINE | ID: mdl-35414065

ABSTRACT

Phosphorylation of PI3Kγ as a member of lipid kinases-enzymes, plays a crucial role in regulating immune cells through the generation of intracellular signals. Deregulation of this pathway is involved in several tumors. In this research, diverse sets of potent and selective isoform-specific PI3Kγ inhibitors whose drug-likeness was confirmed based on Lipinski's rule of five were used in the modeling process. Genetic algorithm (GA)-based multivariate analysis was employed on the half-maximal inhibitory concentration (IC50) of them. In this way, multiple linear regression (MLR) and artificial neural network (ANN) algorithm, were used to QSAR models construction on 245 compounds with a wide range of pIC50 (5.23-9.32). The stability and robustness of the models have been evaluated by external and internal validation methods (R2 0.623-0.642, RMSE 0.464-0.473, F 40.114, Q2LOO 0.600, and R2y-random 0.011). External verification using a wide variety of structures out of the training and test sets show that ANN is superior to MLR. The descriptors entered into the model are in good agreement with the X-ray structures of target-ligand complexes; so the model is interpretable. Finally, Williams plot-based analysis was applied to simultaneously compare the inhibitory activity and structural similarity of training, test and validation sets.


Subject(s)
Phosphatidylinositol 3-Kinases , Quantitative Structure-Activity Relationship , Linear Models , Multivariate Analysis , Neural Networks, Computer , Phosphatidylinositol 3-Kinase , Phosphoinositide-3 Kinase Inhibitors/pharmacology
18.
Pharmacol Ther ; 237: 108171, 2022 09.
Article in English | MEDLINE | ID: mdl-35304223

ABSTRACT

Alzheimer's disease (AD) is one of the biggest human health threats due to increases in aging of the global population. Unfortunately, drugs for treating AD have been largely ineffective. Interestingly, downregulation of macroautophagy (autophagy) plays an essential role in AD pathogenesis. Therefore, targeting autophagy has drawn considerable attention as a therapeutic approach for the treatment of AD. However, developing new therapeutics is time-consuming and requires huge investments. One of the strategies currently under consideration for many diseases is "drug repositioning" or "drug repurposing". In this comprehensive review, we have provided an overview of the impact of autophagy on AD pathophysiology, reviewed the therapeutics that upregulate autophagy and are currently used in the treatment of other diseases, including cancers, and evaluated their repurposing as a possible treatment option for AD. In addition, we discussed the potential of applying nano-drug delivery to neurodegenerative diseases, such as AD, to overcome the challenge of crossing the blood brain barrier and specifically target molecules/pathways of interest with minimal side effects.


Subject(s)
Alzheimer Disease , Alzheimer Disease/drug therapy , Autophagy , Blood-Brain Barrier/pathology , Drug Repositioning , Humans
19.
Spectrochim Acta A Mol Biomol Spectrosc ; 272: 121025, 2022 May 05.
Article in English | MEDLINE | ID: mdl-35184030

ABSTRACT

Polyol synthesis of silver nanocubes (Ag NCs) under dark conditions yielded nanoparticles with high uniformity and purity, as well as edge lengths of 42 nm with good stability and scattering cross-section. These nanoparticles were characterized by SEM, TEM, and Uv-vis spectroscopy. The presence of polyvinylpyrrolidone (PVP) as a capping agent on the surface of Ag NCs, as well as its satisfactory interaction level with Haloperidol (Hp) as an antipsychotic drug, has led to the use of these nanoparticles as Resonance RayleighScattering (RRS) probe to measure Hp. Indeed, Hp resulted in reducing the RRS signal of Ag NCs, and this change in RRS intensity was linear in the range of 10.0 to 800.0 µg L-1 of Hp. The limits of detection (LOD) and quantification (LOQ) were found to be 1.5 and 5.0 µg L-1, respectively. The influence of interfering species was studied, and it was found that the suggested method has good selectivity and can be used to monitor Hp in actual samples. As a result, this RRS probe operated well in determining Hp in pharmaceutical and human plasma samples with satisfactory recovery.


Subject(s)
Metal Nanoparticles , Silver , Haloperidol , Humans , Limit of Detection , Metal Nanoparticles/chemistry , Povidone , Silver/chemistry
20.
Anal Chem ; 94(4): 2263-2270, 2022 02 01.
Article in English | MEDLINE | ID: mdl-35050594

ABSTRACT

Here, we present a wearable potentiometric ion sensor for real-time monitoring of sodium ions (Na+) in human sweat samples using Na0.44MnO2 as the sensing material. Na0.44MnO2 is an attractive material for developing wearable electrochemical sensors due to its good Na+ incorporation ability, electrical conductivity, stability, and low fabrication cost. In the first step, the analytical performance of the electrode prepared using Na0.44MnO2 is presented. Then, a miniaturized potentiometric cell integrated into a wearable substrate is developed, which reveals a Nernstian response (58 mV dec-1). We achieved the detection of Na+ in the linear ranges of 0.21-24.54 mmol L-1, which is well within the physiological range of Na+. Finally, for on-body sweat analysis, the potentiometric sensor is fully integrated into a headband textile. This platform can be employed for non-invasive analysis of Na+ in human sweat for healthcare and disease diagnosis.


Subject(s)
Biosensing Techniques , Wearable Electronic Devices , Humans , Ions , Manganese Compounds , Oxides , Sodium , Sweat
SELECTION OF CITATIONS
SEARCH DETAIL
...