Understanding of Wetting Mechanism Toward the Sticky Powder and Machine Learning in Predicting Granule Size Distribution Under High Shear Wet Granulation.

The granulation of traditional Chinese medicine (TCM) has attracted widespread attention, there is limited research on the high shear wet granulation (HSWG) and wetting mechanisms of sticky TCM powders, which profoundly impact the granule size distribution (GSD). Here we investigate the wetting mechanism of binders and the influence of various parameters on the GSD of HSWG and establish a GSD prediction model. Permeability and contact angle experiments combined with molecular dynamics (MD) simulations were used to explore the wetting mechanism of hydroalcoholic solutions with TCM powder.

Cocrystal Prediction of Nifedipine Based on the Graph Neural Network and Molecular Electrostatic Potential Surface.

Nifedipine (NIF) is a dihydropyridine calcium channel blocker primarily used to treat conditions such as hypertension and angina. However, its low solubility and low bioavailability limit its effectiveness in clinical practice. Here, we developed a cocrystal prediction model based on Graph Neural Networks (CocrystalGNN) for the screening of cocrystals with NIF.

Evolution characteristics of micromechanics provides insights into the microstructure of pharmaceutical tablets fabricated by bimodal mixtures.

This research focuses on the evolution of mechanical behavior of bimodal mixtures undergoing compaction and diametrical compression. The clusters were built and discrete element method (DEM) was used to investigate the densification process and micromechanics of bimodal mixtures. Additionally, a more comprehensive investigate of the respective breakage of the bimodal mixtures has been carried out.

A new methodology of understanding the mechanism of high shear wet granulation based on experiment and molecular dynamics simulation.

In high shear wet granulation (HSWG), the interaction mechanism between binder and powder with different sugar content is still unclear. Herein, the law and mechanism of the interaction between binder and powder were studied on the molecular level by combining experiment analysis through the Kriging model and molecular dynamics (MD) simulation. For the sticky powder with high sugar content, the ethanol in the binder played a pivotal role in dispersing water into powders, and the amount of water determined the growth of granules.

Investigation of mixing homogeneity of binary particle systems in high-shear wet granulator by DEM.

To provide a theoretical foundation and a good understanding for the real manufacturing granulation process, this paper investigates the effect of particle properties on the mixing process in the high-shear wet granulator, a common equipment in one of the key technologies in the growth of the pharmaceutical industry that has rarely been used to examine particle mixing-related problems in previous numerical simulations. The discrete element method (DEM) and the relative standard deviation (RSD) to explore binary particle systems with a range of sizes, densities, and volume fractions, and measure the mixing homogeneity of the particles. Results show that, for binary particle systems, particle size, density, and volume fraction all significantly affect mixing homogeneity, with good mixing occurring for a single size and a 1:1 volume fraction for the same density.

Application of Multivariate Methods to Evaluate Differential Material Attributes of HPMC from Different Sources.

The aim of the present study is to achieve differential material attributes (DMAs) of hydroxypropyl methylcellulose (HPMC) with different viscosity grades (K4M, K15M, and K100M) from different manufacturers (Anhui Shanhe and Dow Chemical). Two kinds of multivariate methods, principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA), were adopted. The physicochemical properties of HPMC were systematically investigated via various techniques (e.

Application of the SeDeM Expert System in Studies for Direct Compression Suitability on Mixture of Rhodiola Extract and an Excipient.

The SeDeM expert system is used to reveal direct compression (DC) suitability of the active ingredients and excipients in preformulation. In this study, the system was used to predict compressibility of rhodiola extract (RhE) and its mixture with excipients. The parameter index (IP), parameter profile index (IPP), and good compressibility index (IGC) of RhE mixtures with different fillers were investigated.

Vascular Accessibility of Endothelial Targeted Ferritin Nanoparticles.

Targeting nanocarriers to the endothelium, using affinity ligands to cell adhesion molecules such as ICAM-1 and PECAM-1, holds promise to improve the pharmacotherapy of many disease conditions. This approach capitalizes on the observation that antibody-targeted carriers of 100 nm and above accumulate in the pulmonary vasculature more effectively than free antibodies. Targeting of prospective nanocarriers in the 10-50 nm range, however, has not been studied.

Preparation and evaluation of a new releasable PEGylated tumor necrosis factor-α (TNF-α) conjugate for therapeutic application.

To design a releasable PEGylated TNF-α (rPEG-TNF-α), a cathepsin B-sensitive dipeptide (Val-Cit moiety) was inserted into conventional PEG-modified TNF-α (PEG-TNF-α), facilitating its clinical use for anti-tumor therapy. Comparative pharmacokinetic and pharmacodynamic studies showed that the half-lives of both PEGylated forms of TNF-α were ∼60-fold greater than that of unmodified TNF-α. In addition, the in vitro bioactivity of rPEG-TNF-α was greater than that of PEG-TNF-α with the same degree of PEG modification.

Linkage with cathepsin B-sensitive dipeptide promotes the in vitro and in vivo anticancer activity of PEGylated tumor necrosis factor-alpha (TNF-α) against murine fibrosarcoma.

To improve the pharmacological profile of tumor necrosis factor alpha (TNF-α), we have synthesized a new PEGylated prodrug, PEG-vcTNF-α, using a cathepsin B-sensitive dipeptide (valine-citrulline, vc) to link branched PEG and TNF-α. PEG-modified TNF-α without the dipeptide linker (PEG-TNF-α) and unconjugated TNF-α were also tested as controls. It was found for the first time that TNF-α released from PEG-vcTNF-α was specifically dependent on the presence of cathepsin B.

[Determination of the contents of chlorogenic acid and phillyrin of Shuanghuanglian oral fluid using NIRS].

The aim of the present study was to establish the model of predicting the contents of chlorogenic acid and phillyrin in Shuanghuanglian oral fluid using NIR to realize quick quality evaluation of Shuanghuanglian oral fluid. To this end, many batches of Shuanghuanglian oral fluid were selected, and the contents of chlorogenic acid and phillyrin were determined using HPLC. Meanwhile, the NIR spectra of the same samples were determined.

Preparation and characterization of liposomes-in-alginate (LIA) for protein delivery system.

This paper describes the preparation and characterization of a novel drug delivery system for protein, liposomes-in-alginate (LIA) of biodegradable polymers, which is conceived from a combination of the polymer and the lipid-based delivery systems. LIA were prepared by first entrapping bovine serum albumin (BSA), a model protein within multivesicular liposomes (MVLs) by double emulsification process, which are then encapsulated within alginate hydrogel microcapsule, with untrapped BSA which are added during preparation of MVLs. Factors impacting encapsulation efficiency of MVLs are investigated and release of protein from the microcapsules in vitro is studied.

Protoplast isolation of callus in Echinacea augustifolia.

Preparations from Echinacea are among the most widely used herbal medicines. Most uses of Echinacea are based on the reported immunological properties. In this paper, we used callus of Echinacea augustifolia for isolation and researched the factors influencing the process of protoplasts preparation, the result indicated it was easy to isolate protoplast from buff-green Callus in E.

Factors affecting protein release from microcapsule prepared by liposome in alginate.

A new type of drug delivery system that microcapsule was prepared by liposome in alginate on this paper, bovine serum albumin (BSA) as an model drug. Influences of liposomes composition and multivalent cations on morphology, enveloped rate, integrality and release in vitro from microcapsule were investigated. The results are showed that Ca2+ and Ba2+ made hydrogels form easier than Al3+ and particle size were uniform, circular, but microcapsule prepared by Al3+ was flat circular and easily adhere to each other.

Microencapsulation peptide and protein drugs delivery system.

Many methods were used to devise peptide and protein drugs delivery system (DDS). Because of their relatively large size, they have low transdermal bioavailabilities. In systemic delivery of proteins, biodegradable material as parenteral depot formulation occupy an important place because of several aspects like protection of sensitive proteins from degradation, prolonged or modified release, pulsatile release patterns.

Effect of low frequency ultrasonic stimulation on the secretion of siboflavin produced by Ecemothecium Ashbyii.

The structure of the cell membrane of Ecemothecium ashbyii is considered to be one of the main obstacles in the improvement of riboflavin productivity, which impedes the release of riboflavin from the cell into the fermentation broth. The results of the present study show that stimulation on growth and riboflavin biosynthesis phase, the content of riboflavin was most obviously enhanced, as compared with the control and the total riboflavin quantity released by ultrasonic treatment. The optimal stimulation time was from 104 to 112 h and ultrasonic should be loaded every 1.

Effect of ultrasound stimulation on metabolic modulation of pyruvic acid.

Pyruvic acid lay on the center position of Eremothecium ashbyii metabolic fluxes, during fermentation, a high performance liquid chromatography (HPLC) method is presented for the simultaneous determination of pyruvic acid in the Eremothecium ashbyii cell culture of both with ultrasound stimulation and the control. Dry weight and riboflavin are also mentored. The results of this study show that the ultrasound stimulation can give rise to pyruvic acid change, at the same time; change of pyruvic acid concentration is correlative to that of dry weight of mycelium and content of riboflavin.