siRNADiscovery: a graph neural network for siRNA efficacy prediction via deep RNA sequence analysis.

The clinical adoption of small interfering RNAs (siRNAs) has prompted the development of various computational strategies for siRNA design, from traditional data analysis to advanced machine learning techniques. However, previous studies have inadequately considered the full complexity of the siRNA silencing mechanism, neglecting critical elements such as siRNA positioning on mRNA, RNA base-pairing probabilities, and RNA-AGO2 interactions, thereby limiting the insight and accuracy of existing models. Here, we introduce siRNADiscovery, a Graph Neural Network (GNN) framework that leverages both non-empirical and empirical rule-based features of siRNA and mRNA to effectively capture the complex dynamics of gene silencing.

Applicability of Pre-Plastic Deformation Method for Improving Mechanical Properties of Bulk Metallic Glasses.

Pre-plastic deformation (PPD) treatments on bulk metallic glasses (BMGs) have previously been shown to be helpful in producing multiple shear bands. In this work, the applicability of the PPD approach on BMGs with different Poisson's ratios was validated based on experimental and simulation observations. It was found that for BMGs with high Poisson's ratios (HBMGs, e.

Relaxation and Strain-Hardening Relationships in Highly Rejuvenated Metallic Glasses.

One way to rejuvenate metallic glasses is to increase their free volume. Here, by randomly removing atoms from the glass matrix, free volume is homogeneously generated in metallic glasses, and glassy states with different degrees of rejuvenation are designed and further mechanically tested. We find that the free volume in the rejuvenated glasses can be annihilated under tensile or compressive deformation that consequently leads to structural relaxation and strain-hardening.

Second-harmonic generation of single-mode Laguerre-Gaussian beams with an improved quasi-phase-matching method.

In the second-harmonic generation processes involving Laguerre-Gaussian (LG) beams, the generated second-harmonic wave is generally composed of multiple modes with different radial quantum numbers. To generate single-mode second-harmonic LG beams, a type of improved quasi-phase-matching method is proposed. The Gouy phase shift has been considered in the optical superlattice designing and an adjustment phase item is introduced.

Toxicity Studies and Inactivation of SARS-CoV-2 by Povidone-iodine Gel Forming Formulations.

To curb the spread of SARS-CoV-2, the etiologic agent of the COVID-19 pandemic, we characterize the virucidal activity of long-acting Povidone Iodine (PVP-I) compositions developed using an gel forming technology. The PVP-I gel forming nasal spray (IVIEW-1503) and PVP-I gel forming ophthalmic eye drop (IVIEW-1201) rapidly inactivated SARS-CoV-2, inhibiting the viral infection of VERO76 cells. No toxicity was observed for the PVP-I formulations.

Structure⁻Property Relationships in Shape Memory Metallic Glass Composites.

Metallic glass composites with shape memory crystals show enhanced plasticity and work-hardening capability. We investigate the influence of various critical structural aspects such as, the density of crystalline precipitates, their distribution and size, and the structural features and intrinsic properties of the phase on the deformation behavior of metallic amorphous Cu 64 Zr 36 composites with B2 CuZr inclusions using molecular dynamics simulations. We find that a low density of small B2 inclusions with spacing smaller than the critical shear band length controls the formation and distribution of plastic zones in the composite and hinders the formation of critical shear bands.

Optimal design of selective catalyst reduction denitrification system using numerical simulation.

The performance of selective catalyst reduction systems highly depends on the degree of mixing between NH and NO and the flow uniformity of velocity and concentration, which are sensitive to several parameters such as the installment of gate leafs, a hybrid grid, a straightener, and the ammonia injection method. In this work, computational fluid dynamics was applied to investigate these parameters in heat recovery steam generators. Performance of gate leafs and a new type of hybrid grid was considered.

Development of poly(N-isopropylacrylamide)/alginate copolymer hydrogel-grafted fabrics embedding of berberine nanosuspension for the infected wound treatment.

In the present study, a novel hydrogel-grafted fabrics embedding of berberine nanosuspension was developed for the treatment of infected wound. Hydrogel-grafted fabric was prepared by graft copolymerization of N-isopropylacrylamide and alginate using ceric ammonium nitrate as initiator. Berberine nanosuspension was prepared and embedded in the hydrogel-grafted fabrics to achieve sustained drug release.

Development and characterization of an orodispersible film containing drug nanoparticles.

In this study, a novel orodispersible film (ODF) containing drug nanoparticles was developed with the goal of transforming drug nanosuspensions into a solid dosage form and enhancing oral bioavailability of drugs with poor water solubility. Nanosuspensions were prepared by high pressure homogenization and then transformed into ODF containing drug nanoparticles by mixing with hydroxypropyl methylcellulose solution containing microcrystalline cellulose, low substituted hydroxypropylcellulose and PEG-400 followed by film casting and drying. Herpetrione, a novel and potent antiviral agent with poor water solubility that extracted from Herpetospermum caudigerum, was chosen as a model drug and studied systematically.

Influence of physicochemical properties on the in vitro skin permeation of the enantiomers, racemate, and eutectics of ibuprofen for enhanced transdermal drug delivery.

Physicochemical properties of chiral ibuprofen are significant to formulation scientists because its enantiomers and eutectics possess lower melting points than its racemate. The influence of these properties on transdermal formulation development, especially the relative effect of lowered melting point, on skin permeation must be carefully assessed to provide the most efficacious formulation. Thermodynamic properties and crystalline structures of the enantiomers, eutectics, and racemate of chiral ibuprofen were investigated by differential scanning calorimetry and X-ray powder diffraction.

The preformulation stability studies of a proline prodrug of methotrexate.

In order to reduce toxicity of methotrexate and improve bioavailability, permeability, and explore other delivery routes, a proline prodrug of methotrexate was synthesized and preformulation stability studies were conducted under accelerated conditions to assess compound liability and possible conversion to the parent drug. Forced degradation studies showed that the prodrug will degrade in the presence of water, acid, and heat (70 °C), generating the parent compound methotrexate. It was also found that this conversion is temperature dependent.

Recent advances of siRNA delivery by nanoparticles.

Introduction: The field of RNA interference technology has been researched extensively in recent years. However, the development of clinically suitable, safe and effective drug delivery vehicles is still required.

Areas Covered: This paper reviews the recent advances of non-viral delivery of small interfering RNA (siRNA) by nanoparticles, including biodegradable nanoparticles, liposomes, polyplex, lipoplex and dendrimers.

Analytical methods for heavy metals in herbal medicines.

Introduction: It is estimated that about 70-80% of the world's population relies on non-conventional medicine, mainly of herbal origin. However, owing to the nature and sources of herbal medicines, they are sometimes contaminated with toxic heavy metals such as lead, arsenic, mercury and cadmium, which impose serious health risks to consumers. It is critical to analyse source materials for heavy metals in order to ensure that their concentrations meet the related standards or regulations limiting their concentrations in herbal medicines.

Development of methotrexate proline prodrug to overcome resistance by MDA-MB-231 cells.

The resistance to methotrexate by a number of cancer cells such as breast cancer cell-line MDA-MB-231 due to poor permeability renders it less effective as an anticancer agent for these cells. Proline prodrug of methotrexate (Pro-MTX) was designed as a substrate of prolidase which is specific for imido bond of dipeptide containing proline and expected to penetrate MDA-MB-231 cells more efficiently. The prodrug was synthesized by solid-phase peptide synthesis method and examined as a substrate of pure prolidase as well as cell homogenate.

Development of acetaminophen proline prodrug.

In this research work, proline ester prodrug of acetaminophen (Pro-APAP) was synthesized and evaluated for its stability in PBS buffer at various pH and Caco-2 cell homogenate. The Pro-APAP is more stable at lower pH than higher pH, with half-life of 120min in PBS buffer at pH 2.0, half-life of 65min at pH 5.

Physicochemical studies of binary eutectic of ibuprofen and ketoprofen for enhanced transdermal drug delivery.

Methods: The thermodynamic, eutectic, and crystalline properties of ibuprofen and ketoprofen binary mixtures were investigated using differential scanning calorimetry (DSC) and X-ray powder diffractometry (XRPD).

Results: The DSC studies showed that melting point (61 degrees C), enthalpy (11.3 kJ/mol), and entropy of fusion (33.

The development and mechanism studies of cationic chitosan-modified biodegradable PLGA nanoparticles for efficient siRNA drug delivery.

Purpose: In order to improve siRNA delivery for possible clinical applications, we developed biodegradable chitosan-modified poly(D,L-lactide-co-glycolide) (CHT-PLGA) nanoparticles with positive surface charge, high siRNA loading, high transfection efficiency and low toxicity.

Methods: CHT-PLGA nanoparticles were prepared, and siRNA was loaded by emulsion evaporation method with poly(vinyl alcohol) (PVA) as emulsifier. siRNA loading efficiency, particle size, and Zeta potential of nanoparticles were measured.

The analysis of heavy metals in Chinese herbal medicine by flow injection-mercury hydride system and graphite furnace atomic absorption spectrometry.

Introduction: Simple and robust atomic absorption spectrometry (AAS) analytical methods were developed to determine the contents of arsenic (As), lead (Pb) and mercury (Hg) contained in Chinese herbal medicine products or Chinese proprietary medicine.

Objective: To develop AAS analytical methods to determine the contents of the toxic heavy metals in herbal medicine, and thus monitor them according to the regulated content limits to ensure the quality and safety of herbal products.

Methodology: A flow injection-mercury hydride system technique was used for the quantitation of As and Hg, and a graphite furnace technique was used for the analysis of Pb.

SiRNA drug delivery by biodegradable polymeric nanoparticles.

RNA interference (RNAi) is an emerging technology in which the introduction of double-stranded RNA (dsRNA) into a diverse range of organisms and cell types causes degradation of the complementary mRNA. It offers a broad spectrum of applications in both biological and medical research. Small interference RNA (siRNA) was recently explored for its therapeutical potential.

A high performance liquid chromatography method for the simultaneous determination of arctiin, chlorogenic acid and glycyrrhizin in a Chinese proprietary medicine.

A high performance liquid chromatography (HPLC) method was developed for the simultaneous determination of arctiin, chlorogenic acid and glycyrrhizin in the tablets of a Chinese proprietary medicine named, "Yin Qiao Jie Du Pian". The analysis was performed by a reverse phase gradient elution, using an aqueous mobile phase (containing 0.4% acetic acid and 4.

The binary eutectic of NSAIDS and two-phase liquid system for enhanced membrane permeation.

The eutectic properties of binary mixtures of some nonsteroidal anti-inflammatory drugs (NSAIDs) with ibuprofen were studied using differential scanning calorimetry (DSC) and phase equilibrium diagrams. The melting points of selected NSAIDs were significantly depressed due to binary eutectic formation with ibuprofen. Ketoprofen and ibuprofen were selected to study the effect of eutectic formation on membrane permeation using Franz diffusion cells and snake skin as the model membrane.

[The functional expression of humanized ScFv-urokinase fusion protein in Escherichia coli].

The fusion protein of Humanized mouse anti-human fibrin ScFv and the low molecular weight urokinase (IIn-UK) contained seven disulfide bonds and formed inclusion body while expressing in normal E. coli strain. By coexpressing DsbC and using the special E.