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1.
Biomacromolecules ; 25(6): 3449-3463, 2024 Jun 10.
Article in English | MEDLINE | ID: mdl-38739908

ABSTRACT

Using supramolecular self-assembled nanocomposite materials made from protein and polysaccharide components is becoming more popular because of their unique properties, such as biodegradability, hierarchical structures, and tunable multifunctionality. However, the fabrication of these materials in a reproducible way remains a challenge. This study presents a new evaporation-induced self-assembly method producing layered hydrogel membranes (LHMs) using tropocollagen grafted by partially deacetylated chitin nanocrystals (CO-g-ChNCs). ChNCs help stabilize tropocollagen's helical conformation and fibrillar structure by forming a hierarchical microstructure through chemical and physical interactions. The LHMs show improved mechanical properties, cytocompatibility, and the ability to control drug release using octenidine dihydrochloride (OCT) as a drug model. Because of the high synergetic performance between CO and ChNCs, the modulus, strength, and toughness increased significantly compared to native CO. The biocompatibility of LHM was tested using the normal human dermal fibroblast (NHDF) and the human osteosarcoma cell line (Saos-2). Cytocompatibility and cell adhesion improved with the introduction of ChNCs. The extracted ChNCs are used as a reinforcing nanofiller to enhance the performance properties of tropocollagen hydrogel membranes and provide new insights into the design of novel LHMs that could be used for various medical applications, such as control of drug release in the skin and bone tissue regeneration.


Subject(s)
Hydrogels , Humans , Hydrogels/chemistry , Hydrogels/pharmacology , Nanoparticles/chemistry , Chitin/chemistry , Cell Line, Tumor , Biocompatible Materials/chemistry , Biocompatible Materials/pharmacology , Fibroblasts/drug effects , Fibroblasts/cytology , Membranes, Artificial , Nanocomposites/chemistry , Cell Adhesion/drug effects
2.
Int J Biol Macromol ; 254(Pt 1): 127767, 2024 Jan.
Article in English | MEDLINE | ID: mdl-38287576

ABSTRACT

Water pollution by organic dyes is one of the most serious environmental problems worldwide. Malachite green (MG) is considered as one the serious organic dyes which is discharged in wastewater by leather and textile manufacturing plants. MG dye can cause severe hazards to the environment and human health. Therefore, the removal of MG dye from wastewater is very important and essential. This study aims to synthesize a new magnetic hydrochar grafted to chitosan (MWSHC@CS) for the removal of MG dye from the aqueous solutions. Transmission electron microscopy (TEM), Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET) surface area, and Zeta potential analysis were used to characterize the synthesized MWSHC@CS. Batch experiments were conducted to optimize MG dye adsorption conditions, including adsorbent mass, pH, temperature, initial concentration, and contact time. The results revealed that MWSHC@CS had an excellent removal efficiency (96.47 %) for MG dye at the optimum condition (at m: 20 mg, pH: 7.5, t: 420 min, and T: 298 K). Adsorption isotherms outcomes revealed the MG adsorption data were best fit by the Langmuir model with a maximum adsorption capacity (420.02 mg/g). Adsorption kinetics outcomes exhibited that the adsorption process of MG dye fitted well to the Elovich model. The thermodynamic results revealed that the adsorption process was physical, exothermic, and spontaneous. The adsorption mechanisms of MG onto MWSHC@CS were hydrogen bonding, electrostatic interaction, and π-π interactions. Furthermore, MWSHC@CS showed excellent reusability for the removal of MG over five cycles of adsorption-desorption (83.76 %). In conclusion, the study provides a new, low-cost, and effective magnetic nanocomposite based on chitosan as a promising adsorbent for the high-performance removal of MG dye from aqueous solutions.


Subject(s)
Chitosan , Rosaniline Dyes , Water Pollutants, Chemical , Humans , Adsorption , Wastewater , Chitosan/chemistry , Thermodynamics , Coloring Agents/chemistry , Water/chemistry , Kinetics , Magnetic Phenomena , Water Pollutants, Chemical/chemistry , Hydrogen-Ion Concentration , Spectroscopy, Fourier Transform Infrared
3.
J Fluoresc ; 2023 Nov 28.
Article in English | MEDLINE | ID: mdl-38015296

ABSTRACT

In this study, we have synthesized a novel Schiff base-centered chemosensor, designated as SB, with the chemical name ((E)-1-(((6-methylbenzo[d]thiazol-2-yl) imino)methyl)naphthalen-2-ol). This chemosensor was structurally characterized by FT-IR, 1H NMR, UV-Vis and fluorescence spectroscopy. After structural characterization the chemosensor SB was subsequently employed for the detection of Cu2+ and Ag+, using fluorescence spectroscopy. The chemosensor SB showed excellent ability to recognize the target metal ions, leading to fluorescence enhancement and color change from yellow to yellowish orange for Cu2+ and yellow to radish for Ag+ ions. The detection capabilities of this chemosensor were impressive, showing excellent selectivity and an exceptionally low detection limit of 0.0016 µM for Cu2+ and 0.00389 µM for Ag+. Most notably, our approach enables the quantitative detection both metal ions in different water and soil samples at trace level. This achievement holds great promise for analytical applications and offers significant contributions to the field of chemical sensing and environmental protection.

4.
Int J Biol Macromol ; 253(Pt 7): 127506, 2023 Dec 31.
Article in English | MEDLINE | ID: mdl-37863129

ABSTRACT

A highly efficient, bio-ecofriendly, and transparent flame retardant (FR) for cotton fabric was developed and deposited onto the cellulose skeletal structure of cotton fabric through a one-pot sol-gel process. The flame retardant functional coating is composed of ammonium polyphosphate (APP), guar gum (GG), citric acid (CA), and a negligible amount of catalyst. Cotton fabrics were impregnated with different concentrations of ammonium polyphosphate and guar gum, with citric acid as a crosslinking agent. The overall crosslinking and grafting process was proven by FTIR and XPS. Based on the results, the designed coating exhibits over 90 % transmittance in the visible region. A 15 g/m2 flame-retardant coating induces excellent flame retardant efficiency at ultra-low flame-retardant concentrations of less than 6.25 wt%. Only a 5.25 wt% flame retardant concentration demonstrated condensed phase action, which resulted in 58.5 % and 73.6 % reductions in the pHRR and THR, respectively. Moreover, the limiting oxygen index (LOI) value showed a 74 % increase. The mechanical performance of FR coated cotton fibers was slightly reduced.


Subject(s)
Ammonium Compounds , Flame Retardants , Citric Acid , Polyphosphates/chemistry
5.
R Soc Open Sci ; 10(10): 230829, 2023 Oct.
Article in English | MEDLINE | ID: mdl-37830030

ABSTRACT

The hydrothermal method is a cost-effective and eco-friendly route for preparing various nanomaterials. It can use a capping agent, such as a polysaccharide, to govern and define the nanoparticle morphology. Elemental selenium nanostructures (spheres and rods) were synthesized and stabilized using a tailor-made carboxymethyl starch (CMS, degree of substitution = 0.3) under hydrothermal conditions. CMS is particularly convenient because it acts simultaneously as the capping and reducing agent, as verified by several analytical techniques, while the reaction relies entirely on green solvents. Furthermore, the effect of sodium selenite concentration, reaction time and temperature on the nanoparticle size, morphology, microstructure and chemical composition was investigated to identify the ideal synthesis conditions. A pilot experiment demonstrated the feasibility of implementing the synthesized nanoparticles into vat photopolymerization three-dimensional-printed hydrogel carriers based on 2-hydroxyethyl methacrylate (HEMA). When submersed into the water, the subsequent particle release was confirmed by dynamic light scattering (DLS), promising great potential for use in bio-three-dimensional printing and other biomedical applications.

6.
Front Plant Sci ; 14: 1221434, 2023.
Article in English | MEDLINE | ID: mdl-37662164

ABSTRACT

Environmental quality and food safety is threatened by contamination of lead (Pb) and cadmium (Cd) heavy metals in agricultural soils. Therefore, it is necessary to develop effective techniques for remediation of such soils. In this study, we prepared iron-modified biochar (Fe-BC) which combines the unique characteristics of pristine biochar (BC) and iron. The current study investigated the effect of pristine and iron modified biochar (Fe-BC) on the nutritional values of soil and on the reduction of Pb and Cd toxicity in wheat plants (Triticum aestivum L.). The findings of present study exhibited that 2% Fe-BC treatments significantly increased the dry weights of roots, shoots, husk and grains by 148.2, 53.2, 64.2 and 148%, respectively compared to control plants. The 2% Fe-BC treatment also enhanced photosynthesis rate, transpiration rate, stomatal conductance, intercellular CO2, chlorophyll a and b contents, by 43.2, 88.4, 24.9, 32.5, 21.4, and 26.7%, respectively. Moreover, 2% Fe-BC treatment suppressed the oxidative stress in wheat plants by increasing superoxide dismutase (SOD) and catalase (CAT) by 62.4 and 69.2%, respectively. The results showed that 2% Fe-BC treatment significantly lowered Cd levels in wheat roots, shoots, husk, and grains by 23.7, 44.5, 33.2, and 76.3%. Whereas, Pb concentrations in wheat roots, shoots, husk, and grains decreased by 46.4, 49.4, 53.6, and 68.3%, respectively. Post-harvest soil analysis showed that soil treatment with 2% Fe-BC increased soil urease, CAT and acid phosphatase enzyme activities by 48.4, 74.4 and 117.3%, respectively. Similarly, 2% Fe-BC treatment significantly improved nutrients availability in the soil as the available N, P, K, and Fe contents increased by 22, 25, 7.3, and 13.3%, respectively. Fe-BC is a viable solution for the remediation of hazardous Cd and Pb contaminated soils, and improvement of soil fertility status.

7.
Mar Drugs ; 21(8)2023 Jul 27.
Article in English | MEDLINE | ID: mdl-37623707

ABSTRACT

The marine-derived hyaluronic acid and other natural biopolymers offer exciting possibilities in the field of biomaterials, providing sustainable and biocompatible alternatives to synthetic materials. Their unique properties and abundance in marine sources make them valuable resources for various biomedical and industrial applications. Due to high biocompatible features and participation in biological processes related to tissue healing, hyaluronic acid has become widely used in tissue engineering applications, especially in the wound healing process. The present review enlightens marine hyaluronan biomaterial providing its sources, extraction process, structures, chemical modifications, biological properties, and biocidal applications, especially for wound healing/dressing purposes. Meanwhile, we point out the future development of wound healing/dressing based on hyaluronan and its composites and potential challenges.


Subject(s)
Bandages , Hyaluronic Acid , Hyaluronic Acid/pharmacology , Biocompatible Materials/pharmacology , Tissue Engineering , Wound Healing
8.
Materials (Basel) ; 16(14)2023 Jul 21.
Article in English | MEDLINE | ID: mdl-37512422

ABSTRACT

Environmental pollution is steadily rising and is having a negative influence on all living things, especially human beings. The advancement of nanoscience in recent decades has provided potential to address this issue. Functional metal oxide nanoparticles/nanofibers have been having a pull-on effect in the biological and environmental domains of nanobiotechnology. Current work, for the first time, is focusing on the electrospinning production of Zr0.5Sn0.5TiO3/SnO2 ceramic nanofibers that may be utilized to battle lethal infections swiftly and inexpensively. By using characterizations like XRD, FT-IR, FESEM, TEM, PL, and UV-Vis-DRS, the composition, structure, morphology, and optical absorption of samples were determined. The minimum inhibitory concentration (MIC) approach was used to investigate the antibacterial activity. Notably, this research indicated that nanofibers exert antibacterial action against both Gram-positive and Gram-negative bacteria with a MIC of 25 µg/mL. Furthermore, negatively charged E. coli was drawn to positively charged metal ions of Zr0.5Sn0.5TiO3/SnO2, which showed a robust inhibitory effect against E. coli. It was interesting to discover that, compared to pure TiO2, Zr0.5Sn0.5TiO3/SnO2 nanofibers revealed increased photocatalytic activity and exceptional cyclability to the photodegradation of Rhodamine B. The composite completely degrades dye in 30 min with 100% efficacy and excellent (97%) reusability. The synergetic effects of Zr0.5Sn0.5TiO3 and SnO2 may be responsible for increased photocatalytic and bactericidal activity.

9.
Polymers (Basel) ; 15(14)2023 Jul 17.
Article in English | MEDLINE | ID: mdl-37514460

ABSTRACT

The multiple roles of organic nanofillers in biodegradable nanocomposites (NC) with a blend-based matrix is not yet fully understood. This work highlights combination of reinforcing and structure-directing effects of chitin nanowhiskers (CNW) with different degrees of deacetylation (DA), i.e., content of primary or secondary amines on their surface, in the nanocomposite with the PCL/PLA 1:1 matrix. Of importance is the fact that aminolysis with CNW leading to chain scission of both polyesters, especially of PLA, is practically independent of DA. DA also does not influence thermal stability. At the same time, the more marked chain scission/CNW grafting for PLA in comparison to PCL, causing changes in rheological parameters of components and related structural alterations, has crucial effects on mechanical properties in systems with a bicontinuous structure. Favourable combinations of multiple effects of CNW leads to enhanced mechanical performance at low 1% content only, whereas negative effects of structural changes, particularly of changed continuity, may eliminate the reinforcing effects of CNW at higher contents. The explanation of both synergistic and antagonistic effects of structures formed is based on the correspondence of experimental results with respective basic model calculations.

10.
Materials (Basel) ; 16(9)2023 Apr 23.
Article in English | MEDLINE | ID: mdl-37176198

ABSTRACT

Functional materials have long been studied for a variety of environmental applications, resource rescue, and many other conceivable applications. The present study reports on the synthesis of bismuth vanadate (BiVO4) integrated polyaniline (PANI) using the hydrothermal method. The topology of BiVO4 decked PANI catalysts was investigated by SEM and TEM. XRD, EDX, FT-IR, and antibacterial testing were used to examine the physicochemical and antibacterial properties of the samples, respectively. Microscopic images revealed that BiVO4@PANI are comprised of BiVO4 hollow cages made up of nanobeads that are uniformly dispersed across PANI tubes. The PL results confirm that the composite has the lowest electron-hole recombination compared to others samples. BiVO4@PANI composite photocatalysts demonstrated the maximum degradation efficiency compared to pure BiVO4 and PANI for rhodamine B dye. The probable antimicrobial and photocatalytic mechanisms of the BiVO4@PANI photocatalyst were proposed. The enhanced antibacterial and photocatalytic activity could be attributed to the high surface area and combined impact of PANI and BiVO4, which promoted the migration efficiency of photo-generated electron holes. These findings open up ways for the potential use of BiVO4@PANI in industries, environmental remediation, pharmaceutical and medical sectors. Nevertheless, biocompatibility for human tissues should be thoroughly examined to lead to future improvements in photocatalytic performance and increase antibacterial efficacy.

11.
Crit Rev Anal Chem ; : 1-25, 2023 Apr 08.
Article in English | MEDLINE | ID: mdl-37029905

ABSTRACT

Thiazole and its derivatives play an important role in biological and non-biological fields due to several structural and electronic behaviors associated with it. Thiazole derivatives act as chemosensors because they formed metal complexes upon interacting with various heavy metal ions like Cd2+, Co2+, Cr3+, Fe3+, Ag+, Al3+, Cu2+, Pd2+, Hg2+, Ni2+, Ga3+, In3+, Sn4+, Pb2+, Zn2+ as well as other cations. These metal ions are of prime importance from the environmental point of view with high. This review article focuses on the thiazole-based colorimetric as well as fluorometric sensor for the recognition of different heavy metal cations in various specimens like agricultural, biological, and environmental. It also summarizes the binding stoichiometry, detection limit, pH, structure, and practical application of the reported thiazole-based chemosensors. Further, the sensing performances, have been discussed and compared with some reported organic sensors.

12.
Nanomaterials (Basel) ; 13(6)2023 Mar 10.
Article in English | MEDLINE | ID: mdl-36985895

ABSTRACT

Bacterial infections remain a serious and pervasive threat to human health. Bacterial antibiotic resistance, in particular, lowers treatment efficacy and increases mortality. The development of nanomaterials has made it possible to address issues in the biomedical, energy storage, and environmental fields. This paper reports the successful synthesis of CeO2-SnO2 composite nanofibers via an electrospinning method using polyacrylonitrile polymer. Scanning and transmission electron microscopy assessments showed that the average diameter of CeO2-SnO2 nanofibers was 170 nm. The result of photocatalytic degradation for methylene blue dye displayed enhanced efficiency of the CeO2-SnO2 composite. The addition of SnO2 to CeO2 resulted in the enhancement of the light absorption property and enriched charge transmission of photoinduced electron-hole duos, which conspicuously contributed to momentous photoactivity augmentation. Composite nanofibers exhibited higher specific capacitance which may be accredited to the synergism between CeO2 and SnO2 particles in nanofibers. Furthermore, antibacterial activity was screened against Escherichia coli and CeO2-SnO2 composite nanofibers depicted excellent activity. The findings of this work point to new possibilities as an electrode material in energy storage systems and as a visible-light-active photocatalyst for the purification of chemical and biological contaminants, which would substantially benefit environmental remediation processes.

13.
Materials (Basel) ; 16(3)2023 Jan 27.
Article in English | MEDLINE | ID: mdl-36770094

ABSTRACT

In bio-nanocomposites with a poly(lactic acid) (PLA)/poly(ε-caprolactone) (PCL) matrix with neat and polydopamine (PDA)-coated cellulose nanocrystals (CNCd), the use of different mixing protocols with masterbatches prepared by solution casting led to marked variation of localization, as well as reinforcing and structure-directing effects, of cellulose nanocrystals (CNC). The most balanced mechanical properties were found with an 80/20 PLA/PCL ratio, and complex PCL/CNC structures were formed. In the nanocomposites with a bicontinuous structure (60/40 and 40/60 PLA/PCL ratios), pre-blending the CNC and CNCd/PLA caused a marked increase in the continuity of mechanically stronger PLA and an improvement in related parameters of the system. On the other hand, improved continuity of the PCL phase when using a PCL masterbatch may lead to the reduction in or elimination of reinforcing effects. The PDA coating of CNC significantly changed its behavior. In particular, a higher affinity to PCL and ordering of PLA led to dissimilar structures and interface transformations, while also having antagonistic effects on mechanical properties. The negligible differences in bulk crystallinity indicate that alteration of mechanical properties may have originated from differences in crystallinity at the interface, also influenced by presence of CNC in this area. The complex effect of CNC on bio-nanocomposites, including the potential of PDA coating to increase thermal stability, is worthy of further study.

14.
Molecules ; 28(3)2023 Jan 28.
Article in English | MEDLINE | ID: mdl-36770947

ABSTRACT

A convenient and efficient synthetic protocol for the new selenadiazole. Thiadiazole and diazaphosphole derivatives incorporating a pyridazine moiety originating from 4-(4-aminophenyl)-4-oxobutanoic acid (1) were described. All newly synthesized compounds were evaluated for their antimicrobial activity using the disk diffusion method, and their cytotoxicity was evaluated against brine shrimp lethality bioassay. Using density functional theory (DFT), the frontier molecular orbital (FMO) and molecular electrostatic potential (MEPS) were studied to estimate the chemical reactivity and kinetic stability of each structure. Therefore, global descriptor parameters like electronegativity (χ), chemical hardness (η), and global softness (σ) were calculated. Consequently, the attained results were compared with the experimental data of the biological activity of the studied structures.

15.
Environ Res ; 216(Pt 1): 114407, 2023 01 01.
Article in English | MEDLINE | ID: mdl-36216116

ABSTRACT

Fungal abetted processes are among the finest approaches for the transformation or degradation and decolorization of dyes in effluents. In this piece of research; biodegradation and metabolic pathways of two toxic dyes Congo Red (CR) and Reactive black 5 (RB5) by two strains of Aspergillus sp. fungus in batch experiments has been investigated. Morphological characteristics of the isolates were observed with both light and electron microscopies. Based on molecular characterization the isolates were identified as Aspergillus flavus and Aspergillus niger. The degradation was also optimized via. operational parameters such as pH, temperature, incubation time, inoculums size, dye concentration, carbon sources and nitrogen sources. Degradation measurements revealed that the isolates effectively degraded 90% and 96% of CR and RB5 respectively. Metabolites were identified with Liquid chromatography-mass spectrometry (LCMS) and degradation pathways of the dyes were proposed. Toxicity assay Phaseolus mungo seeds showed that pure CR and RB5 dyes exhibits significant toxicity whereas fungal treated dye solution resulted in an abatement of the toxicity and cell viability was increased. The results stipulated in this article clearly showed the effectiveness of the isolates on detoxification of CR and RB5 dyes.


Subject(s)
Coloring Agents , Wastewater , Coloring Agents/chemistry , Kinetics , Biodegradation, Environmental , Congo Red/metabolism , Aspergillus niger/metabolism , Azo Compounds/toxicity , Azo Compounds/metabolism
16.
Biosensors (Basel) ; 12(12)2022 Dec 08.
Article in English | MEDLINE | ID: mdl-36551118

ABSTRACT

In this study, using pure and copper-doped titanium dioxide (Cu-TiO2) nanostructures as the base matrix, enzyme-less label free myoglobin detection to identify acute myocardial infarction was performed and presented. The Cu-TiO2 nanomaterials were prepared using facile sol-gel method. In order to comprehend the morphologies, compositions, structural, optical, and electrochemical characteristics, the pure and Cu-TiO2 nanomaterials were investigated by several techniques which clearly revealed good crystallinity and high purity. To fabricate the enzyme-less label free biosensor, thick films of synthesized nanomaterials were applied to the surface of a pre-fabricated gold screen-printed electrode (Au-SPE), which serves as a working electrode to construct the myoglobin (Mb) biosensors. The interference study of the fabricated biosensor was also carried out with human serum albumin (HSA) and cytochrome c (cyt-c). Interestingly, the Cu-doped TiO2 nanomaterial-based Mb biosensor displayed a higher sensitivity of 61.51 µAcm-2/nM and a lower detection limit of 14 pM with a response time of less than 10 ms.


Subject(s)
Biosensing Techniques , Nanostructures , Humans , Myoglobin , Copper , Titanium/chemistry , Biosensing Techniques/methods , Electrochemical Techniques/methods
17.
Micromachines (Basel) ; 13(12)2022 Dec 12.
Article in English | MEDLINE | ID: mdl-36557500

ABSTRACT

Solar cells based on lead-free perovskite have demonstrated great potential for next-generation renewable energy. The SCAPS-1D simulation software was used in this study to perform novel device modelling of a lead-free perovskite solar cell of the architecture ITO/WS2/CH3NH3SnI3/P3HT/Au. For the performance evaluation, an optimization process of the different parameters such as thickness, bandgap, doping concentration, etc., was conducted. Extensive optimization of the thickness and doping density of the absorber and electron transport layer resulted in a maximum power-conversion efficiency of 33.46% for our designed solar cell. Because of the short diffusion length and higher defect density in thicker perovskite, an absorber thickness of 1.2 µm is recommended for optimal solar cell performance. Therefore, we expect that our findings will pave the way for the development of lead-free and highly effective perovskite solar cells.

18.
Int J Biol Macromol ; 202: 671-680, 2022 Mar 31.
Article in English | MEDLINE | ID: mdl-35007634

ABSTRACT

Hybrid biocomposite scaffolds (HBS) that serve as a carrier for cell proliferation and differentiation are increasingly used for tissue regeneration. 3D hybrid scaffold based on collagen-grafted-chitosan-glucan fiber (CO-g-CGF-HBS) was prepared by freeze-drying technique. The swelling percentage, hydrolytic stability, and modulus of elasticity of HBS were enhanced after the chemical modification of CO with CGF. Pore size and porosity of HBS were decreased with an increased CGF ratio. HBS exhibits a higher reduction rate against different types of bacteria compared with a control sample. Thus, chemical modification of CO with different ratios of CGF significantly improved the physicochemical, antibacterial properties of HBS.


Subject(s)
Chitosan , Biocompatible Materials/chemistry , Cell Proliferation , Chitosan/chemistry , Collagen/chemistry , Glucans , Porosity , Tissue Engineering/methods , Tissue Scaffolds/chemistry
19.
Int J Numer Method Biomed Eng ; 38(1): e3530, 2022 01.
Article in English | MEDLINE | ID: mdl-34506081

ABSTRACT

Deep learning is one of the most promising machine learning techniques that revolutionalized the artificial intelligence field. The known traditional and convolutional neural networks (CNNs) have been utilized in medical pattern recognition applications that depend on deep learning concepts. This is attributed to the importance of anomaly detection (AD) in automatic diagnosis systems. In this paper, the AD is performed on medical electroencephalography (EEG) signal spectrograms and medical corneal images for Internet of medical things (IoMT) systems. Deep learning based on the CNN models is employed for this task with training and testing phases. Each input image passes through a series of convolution layers with different kernel filters. For the classification task, pooling and fully-connected layers are utilized. Computer simulation experiments reveal the success and superiority of the proposed models for automated medical diagnosis in IoMT systems.


Subject(s)
Artificial Intelligence , Neural Networks, Computer , Computer Simulation , Internet , Machine Learning
20.
Molecules ; 28(1)2022 Dec 30.
Article in English | MEDLINE | ID: mdl-36615511

ABSTRACT

A highly efficient and versatile synthetic approach for the synthesis of 4-(pyren-1-ylmethyl)-1-(d-glycosyloxy) phthalazine nucleosides 11a,b, 13, ß-S-nucleosides 16, 18, 20, and acyclo C-nucleosides 23a,b, 24, 25 and 27a-f was described and fully characterized. Furthermore, a series of desired new nucleoside analogues containing Se of 4-(pyren-1-ylmethyl) phthalazine-1(2H)-selenone 28-33 were synthesized. The structures of all reported compounds were confirmed by IR, 1H-NMR, 13C-NMR, MS and elemental analysis. All compounds have been screened for their antibacterial and antifungal activities. Maximum activity was shown by 20 and 33a comparable to the standard drugs with lower toxicity. The cytotoxicity of the selected compound was measured and evaluated. The energy gap between the highest occupied molecular orbital and lowest unoccupied molecular orbital was calculated using theoretical computations to reflect the chemical reactivity and kinetic stability of the synthesized compounds. Using density functional theory (DFT), electronic parameters such as the highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) and the molecular electrostatic potential (MEPS) were calculated. On the basis of different studied structures, these properties were computed in order to elucidate the chemical reactivity and the kinetic stability. Obviously, the band gap energy (Eg) of structures studied reveals that the lowest band gap obtained for the structure 16-a indicates that it has the highest chemical reactivity and lowest kinetic stability.


Subject(s)
Anti-Bacterial Agents , Nucleosides , Models, Molecular , Nucleosides/pharmacology , Magnetic Resonance Spectroscopy , Anti-Bacterial Agents/pharmacology , Phthalazines/pharmacology , Quantum Theory
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