Multiple model bank selection based on nonlinearity measure and H-gap metric

This paper provides a systematic method for model bank selection in multi-linear model analysis for nonlinear systems by presenting a new algorithm which incorporates a nonlinearity measure and a modified gap based metric. This algorithm is developed for off-line use, but can be implemented for on-line usage. Initially, the nonlinearity measure analysis based on the higher order statistic (HOS) and the linear cross correlation methods are used for decomposing the total operating space into several regions with linear models. The resulting linear models are then used to construct the primary model bank. In order to avoid unnecessary linear local models in the primary model bank, a gap based metric is introduced and applied in order to merge similar linear local models. In order to illustrate the usefulness of the proposed algorithm, two simulation examples are presented: a pH neutralization plant and a continuous stirred tank reactor (CSTR).     

Towards quality requirements via animated formal specifications

Assuring a high quality requirements specification document involves both an early validation process and an increased level of participation. An approach and its supporting environment which combines the benefits of a formal system specification and its subsequent execution via a rapid prototype is reported. The environment assists in the construction, clarification, validation and visualisation of a formal specification. An illustrative case study demonstrates the consequences of assertions about system properties at this early stage of software development. Our approach involves the pragmatic combination of technical benefits of formal systems engineering based techniques with the context‐sensitive notions of increased participation of both developer and user stakeholders to move us closer towards a quality requirements specification document.     

Monitoring of multivariable dynamic processes and sensor auditing

Industrial continuous processes are usually operated under closed-loop control, yielding process measurements that are autocorrelated, cross correlated, and collinear. A statistical process monitoring (SPM) method based on state variables is introduced to monitor such processes. The statistical model that describes the in-control variability is based on a canonical variate (CV) state space model. The CV state variables are linear combinations of the past process measurements which explain the variability of the future measurements the most, and they are regarded as the principal dynamic dimensions. A T² statistic based on the CV state variables is utilized for developing the SPM procedure. The CV state variables are also used for monitoring sensor reliability. An experimental application to a high temperature short time (HTST) pasteurization process illustrates the proposed methodology.     

Reactions with 2,3,4,5-Tetrahydro-benzo[b]thiepin-5-one and its Derivatives

2,3,4,5-Tetrahydro-benzo[b]thiepin-5-one, its 7-methyl derivative, and their S, S-dioxides condense with aromatic aldehydes to give the corresponding 4-arylidene derivatives 3 and 4 . Compounds 4 react with hydrazine and phenylhydrazine to yield 3, 3a, 4, 5-tetrahydro-2 H-benzo-[b]thiepino[4, 5-c]pyrazole S, S-dioxide derivatives 5 and 6 . Some of the arylidene derivatives 4 add GRIGNARD reagents to give 7 . The IR spectra of representative examples are discussed.     

Exposure of Mice to Thirdhand Smoke Modulates In Vitro and In Vivo Platelet Responses

Smoking is a risk factor for a variety of deleterious conditions, such as cancer, respiratory disease and cardiovascular disease. Thrombosis is an important and common aspect of several cardiovascular disease states, whose risk is known to be increased by both first- and secondhand smoke. More recently, the residual cigarette smoke that persists after someone has smoked (referred to as thirdhand smoke or THS) has been gaining more attention, since it has been shown that it also negatively affects health. Indeed, we have previously shown that 6-month exposure to THS increases the risk of thrombogenesis. However, neither the time-dependence of THS-induced thrombus formation, nor its sex dependence have been investigated. Thus, in the present study, we investigated these issues in the context of a shorter exposure to THS, specifically 3 months, in male and female mice. We show that the platelets from 3-month THS-exposed mice exhibited enhanced activation by agonists. Moreover, we also show that mice of both sexes exposed to THS have decreased tail bleeding as well as decreased thrombus occlusion time. In terms of the role of sex, intersex disparities in thrombus development and hemostasis as well as in platelet aggregation were, interestingly, observed. Together, our findings show that exposing mice to THS for 3 months is sufficient to predispose them to thrombosis; which seems to be driven, at least in part, by an increased activity in platelets, and that it does not manifest equally in both sexes.     

Association Mechanism and Conformational Changes in Trypsin on Its Interaction with Atrazine: A Multi- Spectroscopic and Biochemical Study with Computational Approach

Atrazine (ATR) is a herbicide globally used to eliminate undesired weeds. Herbicide usage leads to various adverse effects on human health and the environment. The primary source of herbicides in humans is the food laced with the herbicides. The ATR binding to trypsin (TYP) was investigated in this study to explore its binding potential and toxicity. In vitro interaction of ATR with TYP was studied using multi-spectroscopic methods, molecular docking, and enzyme kinetics to explore the mechanism of binding for the TYP-ATR system. The TYP-ATR complex revealed binding constants (10³ M⁻¹), suggesting a moderate binding. The free energy for the TYP-ATR complexes was negative, suggesting a spontaneous interaction. Thermodynamic parameters enthalpy (ΔH) and entropy (ΔS) obtained positive values for the TYP-ATR system suggesting hydrophobic interactions in the binding process. Micro-environmental and conformational changes in TYP molecules were induced on interaction with ATR. Reduced catalytic activity of TYP was observed after interaction with ATR owing to the changes in the secondary structure of the TYP.     

Genetic Elements Orchestrating Lactobacillus crispatus Glycogen Metabolism in the Vagina

Glycogen in the female lower reproductive tract is a major carbon source for colonization and acidification by common vaginal Lactobacillus species, such as Lactobacillus crispatus. Previously, we identified the amylopullulanase encoding gene pulA of Lactobacillus crispatus to correlate with the ability to autonomously utilize glycogen for growth. Here, we further characterize genetic variation and differential regulation of pulA affecting the presence of its gene product on the outer surface layer. We show that alpha-glucan degrading activity dissipates when Lactobacillus crispatus is grown on glucose, maltose and maltotriose, in agreement with carbon catabolite repression elements flanking the pulA gene. Proteome analysis of the S-layer confirmed that the amylopullulanase protein is highly abundant in an S-layer enriched fraction, but not in a strain with a defective amylopullulanase variant or in an amylopullulanase-sufficient strain grown on glucose. In addition, we provide evidence that Lactobacillus crispatus pulA mutants are relevant in vivo, as they are commonly observed in metagenome datasets of human vaginal microbial communities. Analysis of the largest publicly available dataset of 1507 human vaginal metagenomes indicates that among the 270 samples that contain a Lactobacillus crispatus pulA gene, 62 samples (23%) had a defective variant of this gene. Taken together, these results demonstrate that both environmental, as well as genetic factors explain the variation of Lactobacillus crispatus alpha-glucosidases in the vaginal environment.