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Abstract Background Today, several bioinformatics tools are available for analyzing restriction fragment length data. RFLP-kenzy is a new bioinformatic tool for identifying restriction key enzyme that cut at least 1 sequence and a maximum of n-1 sequence. Results This bioinformatic tool helps researchers to select appropriate enzymes that yield different RFLP patterns, especially from overly identical sequences with single nucleotide mutation or other small variations. By using RFLP-kenzy, multiple DNA sequences could be analyzed simultaneously and the key enzymes list is provided. The present paper also demonstrates the ability of RFLP-kenzy to identify the key enzymes through the analysis of 16S rRNA sequences and the complete genome of various genera of microorganisms. Conclusion From the results, several key enzymes were provided indicating the importance of this new tool in the selection of appropriate restriction enzymes.

The geometry, electronic structure, and adsorption properties of halogen molecule X2(X = F, Cl) on arsenene were investigated using first-principles calculations. The adsorption of molecules was considered at various sites and in various orientations on the pristine arsenene (p-As) surface. Both molecules show chemisorption and the crystal orbital Hamiltonian population (COHP) analysis reveals the formation of strong X-As bonds. In particular, the adsorbed molecules spontaneously dissociate into atomic halogen atoms, with a diffusion barrier of 1.91 (1.72) eV for F2(Cl2). The adsorbed X2 molecules induced distortions in the local geometry due to strong interaction with arsenene. Importantly, the formation of X-As bonding remarkably changed the electronic properties, evidenced by the decrease of the actual band gap due to the emergence of defect states within the band gap. For instance, the F2 adsorbed arsenene system (F2-As) exhibited an average band gap of 1.17 eV, and Cl2 adsorbed arsenene (Cl2-As) showed an average band gap of 0.83 eV. In particular, indirect to direct band gap transition was observed for some adsorption configurations. The reduction in band gap resulted in the enhancement of electrical conductivity. These findings suggest that the electronic properties of arsenene can be tuned by halogen decoration.

Linear increase in crystallite size (16–24 nm) of MnxZn1−xFe2O4 nanostructures and mixed behavior of lattice constant (8.429–8.462 Å) is reported. The system exhibits considerable promise for microwave applications due to its elevated dielectric constants and minimal dispersion losses from 20 Hz to 20 MHz. With x = 0.75, sample is good for energy storage devices like supercapacitors due to large specific surface area (53 m2/g) and dielectric constant. These samples exhibit maximum relaxation times ranging from 1.97 × 10−7 s to 2.43 × 10−4 s, with corresponding relaxation energy values spanning from 159.22 meV to 341 meV for x = 0 and x = 1 samples. The Cole-Cole plots reveal that grains exhibit conductive behavior at lower frequencies, while grain boundaries contribute significantly to the resistive behavior. Additionally, we have introduced Bode diagrams and equivalent electronic circuit models for the first time, offering valuable insights into the electrical behavior of the nanomaterial samples.

This study introduces an innovative approach involving the synthesis of lead-free halide double perovskite (LFHDP) solar cell Cs2AgBiBr6 and that with the doping of trans-polyacetylene (t-PA) via the sol–gel method. Through X-ray diffraction (XRD) analysis, we confirm the cubic structure and, in addition, an observable growth in grain size attributed to t-PA doping. A comprehensive exploration of optical parameters, including band gap, refractive index, electronegativity, extinction coefficient, and dielectric constant was conducted through UV–Vis spectrophotometry. The pristine Cs2AgBiBr6 exhibited a band gap energy (Eg) of 1.9 eV, while with t-PA doping the Eg decreased to 1.84 eV, indicating a notable enhancement in light absorption. The calculated optical electronegativity is 0.49 which suggests a shift towards a more covalent nature. The J-V curve shows parameters for pristine thin film as Jsc of 5.13 mA/cm2, Voc of 0.92 V, FF of 0.69, and the efficiency of 3.29 %. On the other hand, the t-PA doped thin film exhibits improvement of the parameters which are Jsc of 5.7 mA/cm2, Voc of 0.929 V, and FF of 0.75, leading to a significantly elevated efficiency of 3.98 %. This enhanced efficiency is 20.97 % higher than that of the pure Cs2AgBiBr6, clearly showing an uplifted performance. In addition to the experiment, computational method based on finite difference time domain technique was used to check the stability of the material. The study shows the mechanical and dynamical stability of the Cs2AgBiBr6.

Objectives: The wide and rapid spread of epidemics like COVID 19, highlighted the need for the rapid development of effective solutions. In the present work, a therapeutic approach based on the use of vitamins against the Omicron variant spike was investigated through bioinformatics tools. Methods: The inhibitory effect of vitamins A, B2, B3, C, E, D, K1 and K7 were tested in silico through a molecular docking and molecular dynamic simulation against four ACE2 grid boxes binding specifically the Omicron proteins 7T9K, 7T9L, 7WBL and 7WBP. Results: The docking study showed that vitamins K1, A, D and E bind strongly and efficiently to ACE2 receptor. High docking scores with low binding energies and strong interactions with crucial amino acids residues were generally noted for these four vitamins. The dynamic simulation analysis for 100 ns of the best docked complexes using Gromacs tools at a temperature of 300 K allowed screening vitamin A-grid2, vitamin E- grid4, vitamin K1-grid2 and vitamin D-grid 2 as the most stable complexes compared to rest of systems. Conclusion: These findings indicate that vitamins could interact directly with ACE2 receptor blocking in this way the Omicron binding to its host.

Abstract In this research work, we investigated the effects of a broad set of materials properties and external operating parameters on the opto-electrical output of a hybrid RbGeI3-based perovskite solar cell (PSC) as a means of enhancing its performance. We first performed a judicious numerical modelling of the reference cell with the following structure FTO/TiO2/RbGeI3/Spiro-OMeTAD/Ag, with data retrieved from the experiment. SCAPS program enables to model the device, considering charge carriers transport governing equations. Investigations are directed on addressing the current challenges that include thinner, less environmentally harmful, cost-effectiveness, and more stable solar devices over time. Analysis of the effects of different hole transport material (HTM) on current–voltage (J-V) and external quantum efficiency (QE) characteristics, helps to identify CuI as an ideal HTM. Optimal cell output were achieved by investigating the effects of metal contact work function, defect states, RbGeI3 thickness, light transmission/reflection at the front/back contact, as well as operating temperature. As a result, efficiency increased significantly from 10.11 to 18.10%, and fill factor that represents a stability indicator, increased from 63.68 to 76.95%. Moreover, an optimum open-circuit voltage Voc = 0.70 V and a high short-circuit current density of Jsc = 33.51 mA/cm2 were recorded. An additional study on the capture cross-section of charge carriers ( $${\sigma }_{n,p}$$ σ n , p ) on PV characteristics, enabled to achieve a power conversion efficiency (PCE) of 29.71% and FF of 88% at a value of $${\sigma }_{n,p}$$ σ n , p selected to be 10–22 cm2. This contribution aims at designing and producing thinner, more efficient, more stable and more environmentally clean and economically viable PSCs.

Ferroelectric materials, renowned for their capacity to demonstrate spontaneous electric polarization reversible through an external electric field, are essential in numerous technological applications owing to their distinctive characteristics. For this, a series of spinel Sr-Cd co-doped nickel ferrite nanomaterials Cd0.5−xSrxNi0.5Fe2O4 (x = 0.0, 0.1, 0.2 and 0.3) were prepared through the standard sol-gel auto combustion method The XRD patterns showed that the prepared samples have a cubic spinel structure. The crystallite sizes of the samples vary from 29 to 40 nm. The morphology of prepared samples showed uniformly distributed spheres. Magnetic properties showed the soft magnetic nature of the prepared ferrites. The ferroelectric study revealed that Sr-Cd substituted ferrites exhibited the elliptical nature of ferroelectric loops at normal room temperature. The maximum polarization has been achieved at x = 0.3. The understanding of current and voltage (I–V) showed a slowly decreasing tendency of leakage current on both sides symmetrically against the increasing Sr content. The conductivity of the prepared spinel increases as a function of higher Sr doping. The real part of dielectric constant increases with increasing frequency. The materials show large elliptical loops indicating high asymmetric ferroelectric energy storage capability.