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Metal nanoparticles (NPs), such as TiO2 NPs, have been extensively researched for their potential use in aquaculture. One of the main uses of TiO2 NPs in aquaculture is as a natural water purifier. TiO2 has photocatalytic properties that make it highly effective in breaking down organic pollutants and toxic substances in water. Additionally, TiO2 NPs have been used to improve the efficiency of aquaculture feed. However, it is important to note that while the use of TiO2 NPs in aquaculture holds promise, there are also some concerns about their safety and environmental impact. Therefore, in this study, we sought to ascertain whether penicillamine and ethylenediaminetetraacetic acid (EDTA), two compounds used in the treatment of heavy metal poisoning and whose efficacy has been demonstrated in both warm-blooded animals and humans, may lessen the toxicity of TiO2 NPs in Nile tilapia. In this study, 280 Nile tilapia fries (3.20±0.12 g) were split into four treatments over the course of three replications. Following that, the OECD Guidelines for the Testing of Chemicals was used to evaluate and compare the acute toxicity of TiO2 NPs. In all stages of toxicity determination, the data demonstrated that the toxicity of TiO2 NPs in the control treatment was significantly higher than that of the treatments given penicillamine and EDTA. Finally, the efficiency of penicillamine is more than that of EDTA, and both of these drugs can be used orally to prevent and treat seafood poisoning caused by TiO2 NPs. [ABSTRACT FROM AUTHOR]

We detected Zearalenone in real dairy, juices and other liquid food specimens using a screen-printed electrode (SPE) modified with a new three dimensional carnation flower-like Tb3+/Co 3 O 4 nanocomposite (3D CF-L Tb3+/Co 3 O 4 NC sensor). The physicochemical properties of the 3D CF-L Tb3+/Co 3 O 4 NC were characterized by X-ray diffraction (XRD), field emission scanning electron microscope (FE-SEM) and energy dispersive X-ray spectroscope (EDX) methods. The appreciable properties of the as-prepared sensor were high electrical conductivity, large surface area, abundant binding sites and excellent stability. The electrochemical analysis of the modified electrode was characterized by differential pulse voltammetry, electrochemical impedance spectroscopy, cyclic voltammetry and chronoamperometry. The peak current of Zearalenone was variable based on changes in pH values due to its proton receptor groups. The best signal of Zearalenone in the phosphate buffer solution on the basis of the maximum signal of received stream was observed at the pH value of 7.0. The sensor showed a wide linear dynamic range (0.001–500.0 μM) and a narrow limit of detection (0.34 nM) for the Zearalenone concentration. Our electrochemical sensor was also successful in determination of Zearalenone in the real samples. Electrochemical sensor based on three dimensional carnation flower-like Tb3+/Co 3 O 4 nanocomposite modified screen printed electrode for detecting Zearalenone was fabricated. [Display omitted] • The synthesis of CF-L Tb3+/Co 3 O 4 NC was based on the hydrothermal method. • Novel modified electrode for Zearalenone determination was developed. • LODs of the detection of Zearalenone was found to be very low. • It used for determination of Zearalenone in real samples. [ABSTRACT FROM AUTHOR]

• Computational modeling of molecular separation using adsorption process. • Machine learning modeling to evaluate the adsorption capability of boron nitride. • Decision tree, Multilayer Perceptron, and Linear Regression are developed. • The model's validation is performed via comparing with measured data. A computational modeling framework was developed to evaluate the adsorption behavior of boron nitride (BN) for separation of a solute from solution. Adsorption of an organic dye onto the surface of different porous BNs at two different temperatures was computed using different machine learning models. The amount of dye concentration changes in the solution based on the time parameter for different materials has been modeled and validated in this research. An attempt was made to construct the kinetics of adsorption using the developed models rather than the conventional kinetic models. A decision tree (DT), Multilayer Perceptron (MLP), and Linear Regression boosted with Adaboost (ADA-LR) are selected models that are optimized by their hyper-parameters using a grid-search. Models were developed separately for low and high temperatures for three different materials with different chemistry and structures. Using the MSE parameter, DT has an error of 1.44E-02 for low temperatures and 1.48E-02 for high temperatures. It is 1.01E-03 for low and 7.44E-03 for high temperatures using MLP method of simulation. However, in terms of MSE, the best model is ADA-LR, with 4.60E-03 for low temperature and 1.81E-03 for high temperature. With other metrics also, ADA-LR is the best model, so it is selected as the main model of this research. The R2-score of the final model is 0.940 for low and 0.973 for high temperature values. [ABSTRACT FROM AUTHOR]

Background Restrictive bariatric procedures, like laparoscopic adjustable gastric banding (LAGB) and laparoscopic sleeve gastrectomy (LSG), are associated with an increased risk of long-term failure. The efficacy of One-anastomosis gastric bypass (OAGB) has been described in primary and revisional settings, with a lack of Egyptian studies regarding OAGB as a revisional surgery. Herein, we describe our experience regarding 1-year outcomes of OAGB as a revisional surgery after failed LSG or LAGB. Patients and methods Fifty patients with failed LSG or LAGB were enrolled in this prospective study. All cases underwent laparoscopic OAGB, and its effects on weight loss and obesityrelated comorbidities were noticed after 3, 6, and 12 months. Results The duration of the operation ranged between 45 and 120 min Postoperative complications included leakage (2%), hemorrhage (2%), and port site infection (2%). OAGB as a revisional surgery led to a significant and effective weight loss, as the percent of excess weight loss (%EWL) had mean values of 23.72%, 51.54%, and 80.25% at the scheduled visits, respectively. The procedure was associated with a significant rise in hemoglobin and albumin, significant decline in blood sugar, glycosylated hemoglobin, vitamin B12, and most lipid profile parameters, with no significant changes in serum calcium and high-density lipoproteins. Beneficial effects (remission or improvement) were noticed in 88.9% of diabetic cases, 80% of hypertensive cases, and 100% of reflux cases at one-year follow-up visit. Conclusion Laparoscopic OAGB as a revisional surgery is a safe and efficacious procedure in the management of patients with failed previous restrictive procedures like LSG and LAGB. [ABSTRACT FROM AUTHOR]

The subject of treatment of real or synthetic industrial effluents and photocatalysts has concerned a lot of consideration from scientists. Among the diverse metal oxide photocatalytic materials, the narrow bandgap compounds are of superior significance owing to appropriate efficiency in the optical application. In this work, we produced pristine ErVO 4 through the microwave-assisted synthesis method. Diverse solvents and different power intensities have been employed in this preparation for size controlling and shape engineering, such as Ethylene glycol (EG), Propylene glycol (PG), and Polyethylene glycol (PEG-400) and power of 900, 750 and 600 W. XRD, FT-IR, and EDS analysis have been utilized to demonstrate the phase purity, and FE-SEM and TEM were employed to discover the shape of resultant ErVO 4. The several attributes of the samples, such as the surface area, magnetic and optical features, were inquired by BET, VSM and DRS techniques, correspondingly. Microwave power of 900 W and Ethylene glycol solvent was selected as an optimal condition owing to the creation of uniform nanosized particles. So nanostructured ErVO 4 was operated as a catalyst for the decolorization of colored pollutants (Erythrosine (ER), Methyl Orange (MO), and methylene blue (MB)). According to the discoveries, the MB with higher photocatalytic efficiency was compared in different dye concentrations and catalyst loading experiments to attain ideal performance. • Microwave assisted synthesis method employed for preparation of nanostructured erbium vanadate. • Effect of power and solvent questioned on the shape and purity of resultant erbium vanadate. • Catalytic decolorization of colored pollutants studied by changing operational parameters. • Stability, recycling and photocatalytic mechanism studied for catalyst activity confirmation. [ABSTRACT FROM AUTHOR]

The investigation involved examining the binding of two lanthanide complexes, specifically those containing Holmium (Ho) and Dysprosium (Dy), with a ligand called 1, 10-phenanthroline (phen), and bovine serum albumin (BSA). The evaluation was carried out utilizing fluorescence measurements, Förster theory, and docking studies. The findings indicated that both the Ho-complex and Dycomplex possessed a significant ability to quench the emission of the protein. Furthermore, the primary mechanism of interaction was identified as a static process. The Kb values indicate a strong tendency of these complexes for binding with BSA. The Kb values show the strangely high affinity of BSA to complexes and the following order for binding affinity: Ho-complex > Dy-complex. The thermodynamic parameters were found to be negative, affirming that the main forces driving the interaction between BSA and the lanthanide complexes are van der Waals engagement and hydrogen bonds. Additionally, the investigation included the examination of competition site markers, and molecular docking proposed that the engagement sites of the Ho-complex and Dy-complex with BSA were predominantly located in site 3 (specifically, subdomain IB). Moreover, the Ho-complex and Dy-complex were specifically chosen for their potential anticancer and antimicrobial properties. Consequently, these complexes could present promising prospects as novel candidates for anti-tumor and antibacterial applications. [ABSTRACT FROM AUTHOR]

Over the last decade, paper-based biosensing has attracted considerable attention in numerous fields due to several advantages of them. To elaborate, using paper as a substrate of sensing approaches can be considered an affordable sensing approach owing to low cost of paper, and alongside that, the ability to operate without requiring external equipment. In many cases, cost-effective fabrication techniques such as screen printed and drop casting can be supposed as other benefits of these platforms. Despite the portability and affordability of paper-based assay, two important limitations including sensitivity and selectivity can decrease the application of these sensing approaches. Initially, decoration of paper substrate with nanomaterials (NMs) can improve the properties of paper due to high surface area and conductivity of them. Secondly, the presence of bioreceptors can provide a selective detection platform. Among different bioreceptors, deoxyribonucleic acid (DNA) and ribonucleic acid (RNA) can play a significant role. From this perspective, paper-based biosensors can be used for the detection of various gens which related to biomedical or food safety. In this review, we attempted to summarize recent trends and applications of paper-based genosensor, along with critical arguments in terms of NMs role in signal amplification. Furthermore, the lack of paper-based genosensors in field the of biomedical and food safety will be discussed in the following. [Display omitted] • The importance of nanomaterials and their application in paper-based genosensors. • Advancements and future perspectives of paper-based genosensors towards food safety and biomedical analysis were reviewed. • Novel types of affordable and portable genosensors. [ABSTRACT FROM AUTHOR]

• Computational-based estimation of drug solubility in supercritical CO 2. • The used models are Random Forest (RF), KNN and Extra Tree (ET). • The ET model had the best result with a R2 score of 0.9999. In this study, we implemented and compared various non-mechanistic based models for prediction of drug solubility in supercritical solvent. The data were collected from references and the models were built considering various operational circumstances. Small data sets, like the solubility data used in this study, have always been one of the challenges for modeling in machine learning method. In this study, in order to solve the regression problem related to the solubility of drugs, which includes 32 laboratory data, we implemented and studied models that are naturally compatible with very small data like solubility data of drugs in solvents. These models included Random Forest (RF), KNN and Extra Tree (ET). After obtaining the best settings for each model, their final results were compared in terms of accuracy for predicting drug solubility. The ET model had the best result with a score of 0.9999 on the R2 criterion. Random forests with 0.978 and KNN with 0.972 also had acceptable regression results. Finally, the trained model was used to display and evaluate the effect of input parameters like pressure and temperature on drug solubility to understand the process. [ABSTRACT FROM AUTHOR]

Air pollution is known as one of the most important causes of death in the whole world. Therefore, pollution reduction to achieve clean air was noticed by everyone. This way, using nanotechnology to control air and monitor is a novel approach. This paper investigates the effect of the number of graphene nano-pores on the SiO 2 separation from the H 2 O vapour in the presence of an external electric field with the magnitude of 0.01 V/Å using the molecular dynamics (MD) method. The electric field affects the charged particles and causes disturbance in the structure. It also prevents SiO 2 nanoparticles from passing through the graphene nanosheet. Also, the presence of carbon nanosheets acts as a membrane and affects the diffusion of water in the nanostructure. So, the results show that in the presence of a nano-pore, the number of H 2 O molecules reaches to 496 and 568 in reservoirs 2 and 3. Also, the number of SiO 2 nanoparticles reaches 10 and 4 in reservoirs 2 and 3. This shows that in reservoirs 2 and 3, about 80% and 60% of the SiO 2 nanoparticles are separated. As mentioned before, the electric field prevents the passage of SiO 2 nanoparticles through the graphene nanosheet. As the number of graphene nano-pores increases by 2, 3, 4, and 5, the number of passing water molecules increases. Considering that the number of graphene nano-pores has increased and the movement path of particles has increased, the number of passing particles almost increases. However, the electric field prevents the passage of SiO 2 nanoparticles. According to the results, the suggested setup can be employed for designing highly efficient nanostructured membranes for air purification and monitoring. [Display omitted] [ABSTRACT FROM AUTHOR]

By applying periodic DFT computations, the possible employment of BC 3 nanotube (BC 3 NT) as a drug delivery system (DDS) for Thiotepa (TPA) anticancer medicine has been examined. Quantum mechanics computations by the B3LYP-6–31 +G(d,p) method with dispersion correction including to be used for calculation the details of electronic, geometric, and energetic features of the interactions between TPA drug and BC 3 NT. The appropriate orientation for the TPA interacting with BC 3 NT has been assessed and adsorption energies (ΔE ad) have been computed. The band distance of S and B atom in complex C 2 is about 1.89 Å, also the value of ΔE ad of − 29.83 kcal/mol in most stable compounds. By applying frontier molecular orbital analysis, it has been assessed that during stimulation, TPA medicine performs as HOMO and delivers the charge towards the LUMO, i.e., BC 3 NT. In the aqueous phase, the λ max of BC 3 NT-AP complex is blue-shifted by 36 nm. Drug delivery to the specific cells after protonation has been studied, due to the point that cancer cells have lower pH than others. The value of computed solvation energy (ΔE solvation) shows the solubility BC 3 NT@TPA system in the water phase. The effects of the present investigation verified the ability of BC 3 NT as a drug delivery agent for TPA in the treatment of cancer. • The ability of BC 3 nanotube as a drug delivery system for TPA anticancer drugs was investigated. • In the most stable configuration, the drug is adsorbed with an adsorption energy of − 28.93 kcal/mol. • The electrostatic interactions are responsible for the adsorption of drugs. • The drugs and nanocarriers are parallel to each other in the water medium. [ABSTRACT FROM AUTHOR]

• Advanced molecular-level modeling of drug delivery system. • Study on encapsulation Boron Nitride cluster with alkaline metals. • Comparisons of pure and functionalized BN for drug delivery. • Metformin was considered as the model drug. Finding new drug-delivery materials has attracted considerable interest from many researchers in recent years. Herein, systematic investigation of the metformin interaction with the surface of pristine B 12 N 12 and group I metals (Li, Na, and K) encapsulation nanoclusters was carried out at B3LYP/631++ (d, p) level of theory based on the DFT calculations. MF molecule has two nucleophilic sites, NH and NH 2 groups. The trapping of Li, Na, and K atoms affected the HOMO–LUMO gaps of the considered configurations and the electronic properties of considered complexes. Besides, it is noticed that presence of alkali metals remarkably increased the absorption energies of MF-B 12 N 12 to −2.14, −2.24, −2.30, and −2.38 for B 12 N 12 , Li@B 12 N 12 , Na@B 12 N 12 , and K@B 12 N 12 respectively. In addition, DOS plots show a decrease in E gap by the addition of alkali metals and therefore an increase in reactivity of the considered configurations, which is confirmed by the decrease in total hardness. [ABSTRACT FROM AUTHOR]

• Used photo-deposition method to create platinum loaded on P25. • Examined synthesis catalyst using TEM, ICP, XRD, and BET analyses. • Synthesis catalyst used for selective benzyl alcohol oxidation under UV light. • Surface area of sample increased with increasing platinum loading. Using Pt loaded on semiconductor supports have created new opportunities for improving catalytic performance when exposed to light. This study used the photo-deposition method to create platinum loaded on TiO 2 , which was then examined using TEM, ICP, X-ray diffraction, BET analysis, and CO chemisorption. The effect of loading of Pt on P25 under UV light based on photocatalytic activity was assessed and compared, resulting facilitate the electron transfer from Pt to titanium element, which in turn facilitates the aerobic oxidation of C 7 H 8 O. Benzotrifluoride (BTF) was used as a solvent in the benzyl alcohol photooxidation. Different loading of Pt on P25 was investigated and the range between 1 wt.% to 3 wt.% Pt–TiO 2 through photo-deposition method gave the highest photocatalytic activity (⁓5.8 g cat −1 h−1) than others because of the size of platinum, the surface area of sample and dispersion. The platinum particle size over 1 nm (less than 1nm not enough energy for electron transfer) to and less than 4 nm (over 4 nm cover semiconductor's active sites) were given the highest activity for benzyl alcohol oxidation. The surface area of the sample is increasing with increasing platinum loading before agglomeration is happening. Higher surface area caused more active sites and active species for adsorption and desorption, resulting in better activity. [Display omitted] [ABSTRACT FROM AUTHOR]