Abstract This paper presents the nonlinear dynamic analysis of an ideal two-reactant-two product reactive distillation. The impact of disturbance magnitudes and directions on openloop stability of the system is studied. An analysis of the physicochemical phenomena present in reactive distillation processes that, under certain operational conditions, causes special types of nonlinear behavior is...

Ion pairs (also known as salt bridges) of electrostatically interacting cationic and anionic moieties are important for proteins and nucleic acids to perform their function. Although numerous three-dimensional structures show ion pairs at functionally important sites of biological macromolecules and their complexes, the physicochemical properties of the ion pairs are not well understood. Crysta...

In this paper, we propose an interactive visualization called VERMONT which tackles the problem of visualizing mutations and infers their possible effects on the conservation of physicochemical and topological properties in protein families. More specifically, we visualize a set of structure-based sequence alignments and integrate several structural parameters that should aid biologists in gain...

BACKGROUND The recent public availability of the human metabolome and natural product datasets has revitalized "metabolite-likeness" and "natural product-likeness" as a drug design concept to design lead libraries targeting specific pathways. Many reports have analyzed the physicochemical property space of biologically important datasets, with only a few comprehensively characterizing the scaff...

OBJECTIVES This study aimed at measuring the lipophilicity and ionization constants of diastereoisomeric dipeptides, interpreting them in terms of conformational behavior, and developing statistical models to predict them. METHODS A series of 20 dipeptides of general structure NH(2)-L-X-(L or D)-His-OMe was designed and synthetized. Their experimental ionization constants (pK(1), pK(2) and pK...

Understanding the metabolic fate of small organic molecules is of fundamental importance to the successful design and development of drugs, nutritional supplements, cosmetics and agrochemicals [1,2]. In the current study we investigated how the products of metabolism differ from their parent molecules by analysing a large dataset of experimentally determined metabolic transformations (Figure 1)...

Electrospray ionization (ESI) is widely used in liquid chromatography coupled to mass spectrometry (LC-MS) for the analysis of biomolecules. However, the ESI process is still not completely understood, and it is often a matter of trial and error to enhance ESI efficiency and, hence, the response of a given set of compounds. In this work we performed a systematic study of the ESI response of 14 ...

in this study, modified starch was used as a fat replacer in the milk. the fat replacer was manufactured from modified starch such as pre-gelatinized and cross–linked starches. modified starches were manufactured by hydrochloric acid and citric acid treatments from potato and wheat and were added to skim milk at concentrations of 0.15%, 0.30% and 0.45%. viscosity, total solid, fat content, titr...

Chitosan-coated curcumin nanoliposomes (CS-Cur-NLs) were fabricated by the ethanol injection method (EIM), and their physicochemical properties were compared with the properties of those fabricated by the dry thin film method (DTFM). The mean size and zeta potential of CS-Cur-NLs gradually increased with CS concentration. The encapsulation efficiency of Cur-NLs prepared by EIM was 54.70%, which...

For over a decade our group has been designing, preparing and evaluating bioactive, remineralizing composites based on amorphous calcium phosphate (ACP) fillers embedded in polymerized methacrylate resin matrices. In these studies a major focus has been on exploring structure-property relationships of the matrix phase of these composites on their anti-cariogenic potential. The main challenges w...