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Design and delivery of protein-based biopharmaceuticals needs detailed planning and strict monitoring of intermediate processing steps, storage conditions and container-closure system to ensure a stable, elegant and biopharmaceutically acceptable dosage form. Selection of manufacturing process variables and conditions along with packaging specifications can be achieved through properly designed preformulation study protocol for the formulation. Thermodynamic stability and biological activity of therapeutic proteins depend on folding–unfolding and three-dimensional packing dynamics of amino acid network in the protein molecule. Lack of favourable environment may cause protein aggregation with loss in activity and even fatal immunological reaction. Although lyophilization can enhance the stability of protein-based formulations in the solid state, it can induce protein unfolding leading to thermodynamic instability. Formulation stabilizers such as preservatives can also result in aggregation of therapeutic proteins. Modern instrumental techniques in conjunction with computational tools enable rapid and accurate prediction of amino acid sequence, thermodynamic parameters associated with protein folding and detection of aggregation “hot-spots.” Globular proteins pose a challenge during investigations on their aggregation propensity. Biobetter therapeutic monoclonal antibodies with enhanced stability, solubility and reduced immunogenic potential can be designed through mutation of aggregation-prone zones. The objective of the present review article is to focus on the various analytical methods and computational approaches used in the study of thermodynamic stability and aggregation tendency of therapeutic proteins, with an aim to develop optimal and marketable formulation. Knowledge of protein dynamics through application of computational tools will provide the essential inputs and relevant information for successful and meaningful completion of preformulation studies on solid dosage forms of therapeutic proteins.

Membrane technology is an important part of the engineer’s toolbox. This is especially true for industries that process food and other products with their primary source from nature. This review is focused on ongoing development work using membrane technologies for concentration and separation of biologically active compounds, such as polyphenols and flavonoids. We provide the readers not only with the last results achieve in this field but also, we deliver detailed information about the membrane types and polymers used for their preparation.

We explored, the absorption spectra, excited states and electronic injection parameters of anthocyanidin and anthocyanin pigments using the level of theory (TD)CAM-B3LYP/6-31+G(d,p). For the most isolated dyes, the distribution pattern of HOMO and LUMO spreads over the whole molecules, which lead an efficient electronic delocalization. The calculated light harvesting efficiencies (LHEs) are all near unity. Methoxy group in peonidin molecule lead the largest oscillator strength and LHE. The presence of water lead a higher spontaneous electronic inject process, with ΔG inject average of –1.14 eV. The ΔG inject order is peonidin < delphinidin < cyanin < cyanidin. Similarly, the adsorption energies (E ads ) onto anatase surface model were obtained from level of theory GGA(PBE)/DNP. E ads of anthocyanin–(TiO 2 ) 30 complex was calculated to be from 17 to 24 eV, indicating both, the strong interactions between the dyes and the anatase (TiO 2 ) surface and stronger electronic coupling strengths of the anthocyanin–(TiO 2 ) 30 complex, which corresponded to higher observed η . The HOMO and LUMO shape showed the electrons delocalized predominantly on the anthocyanin structure while the LUMO + 1 shape is localized into the (TiO 2 ) 30 surface. Therefore, we expected a electronic injection from HOMO to LUMO + 1 in the anthocyanin–(TiO 2 ) 30 adsorption complex, after the light absorption.

The Middle East once dominated the age of alchemy, and today it is experiencing a resurgence by transforming the age of petroleum chemicals into a greener science through Estidama . This green conversion is taking place through green chemical research and education. This report examines and reviews the understudied subject of green chemical education in the Middle East through the lens of context and history.

The article presents the different approaches to polymer membrane mathematical modeling. Traditional models based on experimental physicochemical correlations and balance models are presented in the first part. Quantum and molecular mechanics models are presented as they are more popular for polymer membranes in fuel cells. The initial part is enclosed by neural network models which found their use for different types of processes in polymer membranes. The second part is devoted to models of fluid dynamics. The computational fluid dynamics technique can be divided into solving of Navier-Stokes equations and into Boltzmann lattice models. Both approaches are presented focusing on membrane processes.