Computational effort and convergence problems can pose serious challenges when employing advanced thermodynamic models in process simulation and optimization. Data-based surrogate modeling helps to overcome these problems at the cost of additional modeling effort. The present work extends the range of methods for efficient data-based surrogate modeling of liquid–liquid equilibria. A new model formulation is presented that enables smaller surrogates with box-constrained input domains and reduced input dimensions. Sample data are generated efficiently by using numerical continuation. The new methods are demonstrated for the surrogate modeling and optimization of a process for the hydroformylation of 1-decene in a thermomorphic multiphase system. Full article

Endometrial cancer is the leading gynaecological malignancy in the western world and its incidence is rising in tandem with the global epidemic of obesity. Early diagnosis is key to improving survival, which at 5 years is less than 20% in advanced disease and over 90% in early-stage disease. As yet, there are no validated biological markers for its early detection. Advances in high-throughput technologies and machine learning techniques now offer unique and promising perspectives for biomarker discovery, especially through the integration of genomic, transcriptomic, proteomic, metabolomic and imaging data. Because the proteome closely mirrors the dynamic state of cells, tissues and organisms, proteomics has great potential to deliver clinically relevant biomarkers for cancer diagnosis. In this review, we present the current progress in endometrial cancer diagnostic biomarker discovery using proteomics. We describe the various mass spectrometry-based approaches and highlight the challenges inherent in biomarker discovery studies. We suggest novel strategies for endometrial cancer detection exploiting biologically important protein biomarkers and set the scene for future directions in endometrial cancer biomarker research. Full article

Since the 1990s, nature and water management policies have attempted to re-create natural rivers systems by mimicking curvy meandering planforms, based on the assumption that meandering is the natural channel-forming process. However, in low-energy river systems, the extent to which meandering plays a natural role is often minimal. This study aims to quantify contemporary lateral migration in the low-energy irregular sinuous lowland river system of the Drentsche Aa, The Netherlands, and to determine the factors influencing lateral channel migration in a heterogeneous valley fill. Although the river is classified as laterally immobile based on an empirical stability diagram, field observations prove that erosion and deposition are currently occurring. By analyzing historical and present-day maps, it was shown that lateral migration was highly spatially variable for the period 1924–2005. Sinuosity and valley gradient are not correlated to lateral migration rates, suggesting they are not a measure of lateral migration in the case study area, which is in line with the literature. Based on geomorphological and soil map analyses, it was shown that lateral migration rates are significantly higher in valley fills of aeolian sands than in clastic alluvial deposits, which on their turn are significantly higher than in peaty environments. Therefore, local conditions appear to be dominant over other factors such as stream power and bed grain size. These findings are important for river rehabilitation of low-energy rivers, because it shows that local valley fill conditions can greatly influence active lateral migration in the river. Full article

The aim of this study is to develop an Emulsion Liquid Membrane (ELM) system for the extraction of acetaminophen (ACTP). Firstly, ELM was formulated by the screening of liquid membrane components where the compatibility of diluent with other membrane phase components was investigated. The chosen carrier, diluent and stripping solution must comply with the reaction at the interface of the membrane to support the simultaneous processes of extraction and stripping. Therefore, parameters such as stripping agent concentration, volume ratio, initial concentration of feed phase and HCl concentration were investigated. A stable emulsion and maximum acetaminophen removal efficiency of 85% was achieved. Full article

A thyroid receptor alpha structure (PDB ID: 4LNW) was studied for ab initio phasing. With the diffraction intensity data, protein sequence, and ligand structure as the only input, a high-resolution structure was successfully reconstructed by using an iterative projective method based on the hybrid input–output (HIO) algorithm. Full article

The continental coastal waters of the Eastern Channel, from Normandy to Hauts-de-France, are subject to the major influence of unbalanced nutrient inputs from inflowing rivers. Several episodes of harmful algal blooms (HABs) compromising fishing and shellfish farming activities have been observed at the coast. For a better understanding of how the land-to-sea aquatic continuum functions, the GRAFS-RIVERSTRAHLER river biogeochemical model was implemented to cover the watersheds of 11 rivers flowing into this area (including the Seine) and chained with the ecological marine ECO-MARS3D model, applied to the French Northern coastal zone. Human activities strongly impact on the functioning of coastal ecosystems. Specifically, for these fertile soils of Northern France, intensive agricultural nitrogen (N) deliveries in excess over silica (Si) and phosphorus (P), essentially of diffuse origin, are potentially responsible for coastal eutrophication. Phosphorous is today equally supplied by diffuse and point sources, after a drastic reduction of inputs from wastewater treatment plants since the 2000s, and is better balanced regarding Si, as shown by the indicators of coastal eutrophication potential (P-ICEP versus N-ICEP). However, despite this drastic P reduction, HABs still appear repeatedly. Exploration of several scenarios of agro-food chain reorganization shows that (i) further progress in urban wastewater treatment to fully comply with current European regulations will not result in a significant reduction of nutrient fluxes to the sea, hence including HABs, and (ii) radical structural changes in agriculture, based on generalization of long and diversified organic crop rotations, reconnection of crop and livestock farming and changes in the human diet have the capacity to significantly reduce nutrient flows, coastal eutrophication and HABs. Full article

In the course of our investigations on the antitrypanosomal potential of sesquiterpene lactones (STL), we have recently reported on the exceptionally strong activity of 4,15-iso-Atriplicolide tiglate, which demonstrated an IC₅₀ value of 15 nM against Trypanosoma brucei rhodesiense, the etiologic agent responsible for East African human trypanosomiasis (HAT). Since STLs are known to often interact with their biological targets (e.g., in anti-inflammatory and anti-tumor activity) by means of the covalent modification of biological nucleophiles—most prominently free cysteine thiol groups in proteins—it was a straightforward assumption that such compounds might interfere with the trypanothione-associated detoxification system of trypanosomes. This system heavily relies on thiol groups in the form of the dithiol trypanothione (T(SH)₂) and in the active centers of enzymes involved in trypanothione metabolism and homeostasis. Indeed, we found in the present study that 4,15-iso-atriplicolide tiglate, as well as its structural homologues, the corresponding methacrylate and isobutyrate, are inhibitors of trypanothione reductase (TR), the enzyme serving the parasites to keep T(SH)₂ in the dithiol state. The TR inhibitory activity was demonstrated to be time-dependent and irreversible. Quite interestingly, of the several further STLs with different core structures that were also tested, none inhibited TR at a significant level. Thus, the TR inhibitory effect by the 4,15-iso-atriplicolide esters appears to be specific for this particular type of furanoheliangolide-type STL. Some structure–activity relationships can already be deduced on the basis of the data reported here, which may serve as the starting point for searching further, possibly more potent, TR inhibitors. Full article

This paper considers three dynamic systems composed of a mathematical pendulum suspended on a sliding body subjected to harmonic excitation. A comparative dynamic analysis of the studied parametric mutations of the rigid pendulum with inertial suspension point and damping was performed. The examined system with parametric mutations is solved numerically, where phase planes and Poincaré maps were used to observe the system response. Lyapunov exponents were computed in two ways to classify the dynamic behavior at relatively early stage of forced responses using two proven methods. The results show that with some parameters three systems exhibit a very similar dynamic behavior, i.e., quasi-periodic and even chaotic motions. Full article

Antioxidant supplementation in idiopathic male infertility has a beneficial effect on semen parameters. However, the molecular mechanism behind this effect has not been reported. The objective of this study was to evaluate the sperm proteome of idiopathic infertile men pre- and post-antioxidant supplementation. Idiopathic infertile men were provided with oral antioxidant supplementation once daily for a period of 6 months. Of the 379 differentially expressed proteins (DEPs) between pre- and post-antioxidant treatment patients, the majority of the proteins (n = 274) were overexpressed following antioxidant treatment. Bioinformatic analysis revealed the activation of oxidative phosphorylation pathway and upregulation of key proteins involved in spermatogenesis, sperm maturation, binding of sperm, fertilization and normal reproductive function. In addition, the transcriptional factors associated with antioxidant defense system (PPARGC1A) and free radical scavenging (NFE2L2) were predicted to be functionally activated post-treatment. Key DEPs, namely, NDUFS1, CCT3, PRKARA1 and SPA17 validated by Western blot showed significant overexpression post-treatment. Our novel proteomic findings suggest that antioxidant supplementation in idiopathic infertile men improves sperm function at the molecular level by modulating proteins involved in CREM signaling, mitochondrial function and protein oxidation. Further, activation of TRiC complex helped in nuclear compaction, maintenance of telomere length, flagella function, and expression of zona pellucida receptors for sperm–oocyte interaction. Full article

The physical and chemical synthesis methods of quantum dots (QDs) are generally unfavorable for biological applications. To overcome this limitation, the development of a novel “green” route to produce highly-fluorescent CdSe QDs constitutes a promising substitute approach. In the present work, CdSe QDs were biosynthesized in yeast Saccharomyces cerevisiae using a novel method, where we showed for the first time that the concentration of tryptone highly affects the synthesis process. The optimum concentration of tryptone was found to be 25 g/L for the highest yield. Different methods were used to optimize the QD extraction from yeast, and the best method was found to be by denaturation at 80 °C along with an ultrasound needle. Multiple physical characterizations including transmission electron microscopy (TEM), dynamic light scattering (DLS), energy-dispersive X-ray spectroscopy (EDX), and spectrophotometry confirmed the optical features size and shape distribution of the QDs. We showed that the novel conjugate of the CdSe QDs and a cell-penetrating peptide (hecate) can detect bacterial cells very efficiently under a fluorescent microscope. The conjugate also showed strong antibacterial activity against vancomycin-resistant Staphylococcus aureus (VRSA), methicillin-resistant Staphylococcus aureus (MRSA), and Escherichia coli, which may help us to cope with the problem of rising antibiotic resistance. Full article

Managed pressure drilling (MPD) is a drilling technique used to address the narrow density window under complex geological environments. It has widespread applications in the exploration and exploitation of oil and gas, both onshore and offshore. In this study, to achieve effective control of the downhole pressure to ensure safety, a gas–liquid two-phase flow model based on the drift flux model is developed to describe the characteristics of transient multiphase flow in the wellbore. The advection upwind splitting method (AUSM) numerical scheme is used to assist with calculation and analysis, and the monotonic upwind scheme for conservation laws (MUSCLs) technique with second-order precision is adopted in combination with the Van Leer slope limiter to improve precision. Relevant data sourced from prior literature are used to validate the suggested model, the results of which reveal an excellent statistical consistency. Further, the influences of various parameters in a field application, including backpressure, density, and mass flow, are analyzed. Over the course of later-stage drilling, a combination of wellhead backpressure and displacement is recommended to exercise control. Full article

Wheat germ is rich in quinones that exist as glycosides. In this study, we used Celluclast 1.5L to release the hydroxyquinones, which turn into benzoquinone, and prepared the water extract from enzyme-treated wheat germ (EWG). We investigated whether enzyme treatment altered the anti-inflammatory activity compared to the water extract of untreated wheat germ (UWG). UWG inhibited the production of inducible nitric oxide synthase (iNOS) and interleukin (IL)-12 and induced the production of IL-10 and heme oxygenase (HO)-1 in lipopolysaccharide (LPS)-stimulated macrophages. Enzyme treatment resulted in greater inhibition of iNOS and IL-10 and induction of HO-1 compared to UWG, possibly involving the modulation of nuclear factor (NF)-κB, activator protein 1 (AP-1) and nuclear factor erythroid 2-related factor (Nrf2). Mice fed UWG or EWG had decreased serum tumor necrosis factor (TNF)-α and increased serum IL-10 levels after intraperitoneal injection of LPS, with UWG being more effective for IL-10 and EWG more effective for TNF-α. Hepatic HO-1 gene was only expressed in mice fed EWG. We provide evidence that enzyme treatment is a useful biotechnology tool for extracting active compounds from wheat germ. Full article

The work presents the results of research and analyses related to measurements of concentration and chemical composition of three size fractions of particulate matter (PM), PM₁₀, PM_2.5 and PM_1.0. The studies were conducted in the years 2014–2016 during both the heating and non-heating season in two Polish cities: Wrocław and Poznań. The studies indicate that in Wrocław and Poznań, the highest annual concentrations of particulate matter (PM_1.0, PM_2.5, and PM₁₀) were observed in 2016, and the mean concentrations were respectively equal to 18.16 μg/m³, 30.88 μg/m³ and 41.08 μg/m³ (Wrocław) and 8.5 μg/m³, 30.8 μg/m³ and 32.9 μg/m³ (Poznań). Conducted analyses of the chemical composition of the particulate matter also indicated higher concentrations of organic and elemental carbon (OC and EC), and water-soluble ions in a measurement series which took place in the heating season were studied. Analyses with the use of principal component analysis (PCA) indicated a dominating percentage of fuel combustion processes as sources of particulate matter emission in the areas considered in this research. Acquired results from these analyses may indicate the influence of secondary aerosols on air quality. In the summer season, a significant role could be also played by an influx of pollutants—mineral dust—originating from outside the analyzed areas or from the resuspension of mineral and soil dust. Full article

The French Cancer Barometer, a population-based-survey, is carried out every five years and is, to date, one of the few national studies conducted to investigate individual perception linked to cancer risk factors. The aims of the present study were to describe the perceptions of the French population in 2015 and to assess their evolution over a 5-year period (2010–2015). The French Cancer Barometer surveyed a randomly selected sample of participants aged 15–75 years (n = 3345 in 2010) and 15–85 years (n = 3764 in 2015), representative of the French population. Questions were on perception of diet, physical activity, obesity, and breastfeeding as cancer risk factors. In 2015, nutritional/activity factors were perceived as having an important role in cancer development for the majority of those surveyed (diet (90.8%), obesity (76%), and physical activity (70%)) with the exception being breastfeeding (34%). However, there was a moderate perception of the risks of red meat (43%) and salt or salty food (55%) consumption. Perceptions of nutritional risk factors were mostly associated with age and education level. Interestingly, there was a greater perception of nutritional risk factors in 2015 compared to 2010, and the participants’ opinions were also stronger. Efforts should be made on individuals with lower educational level and to promote the beneficial effects of breastfeeding. However, to impact food behavior, measures are needed at the environmental level and not only at the individual one. Full article