Search results for "Chemical engineering"
showing 10 items of 5892 documents
Monitoring complex bacterial communities using culture-independent molecular techniques: application to soil environment
2000
Over the last decade, important advances in molecular biology led to the development of culture-independent approaches to describing bacterial communities. These new strategies, based on the analysis of DNA directly extracted from environmental samples, circumvent the steps of isolation and culturing of bacteria, which are known for their selectivity leading to a non-representative view of the extent of bacterial diversity. This review provides an overview of the potentials and limitations of some molecular approaches currently used in microbial ecology. Examples of applications to the study of indigenous soil microbial community illustrate the feasibility and the power of such approaches.
Structural investigation of the confinement of finite amounts of trehalose in water-containing sodium bis(2-ethylhexyl)sulfosuccinate reversed micell…
2006
The structural effect of trehalose confined in water-containing sodium bis(2-ethylhexyl)sulfosuccinate (AOT) reversed micelles at water to AOT molar ratio W = 5 and 10 as a function of the trehalose to AOT molar ratio T (0 < T < 0.1) has been investigated by small-angle neutron scattering (SANS). SANS data analysis is consistent with the hypothesis that trehalose is encapsulated within the quite spherical hydrophilic micellar cores of water-containing reversed micelles, causing an increase of the aggregate size and a decrease of the polydispersion. Moreover, SANS results suggest that the trehalose confinement in water-containing reversed micelles involves marked changes on the molecular pac…
Long-Range and Short-Range Structure of Proton-Conducting Y:BaZrO3
2011
Yttrium-doped barium zirconate (BZY) is the most promising candidate for proton-conducting ceramics and has been extensively studied in recent years. The detailed features of the crystal structure, both short-range and long-range, as well as the crystal chemistry driving the doping process, are largely unknown. We use very high resolution X-ray diffraction (HR-XRD) to resolve the crystal structure, which is very slightly tetragonally distorted in BZY, while the local environment around Zr4+ and Y3+ is probed with extended X-ray absorption fine structure (EXAFS), and the symmetry and vibrations are investigated by using Raman spectroscopy. It is found that barium zirconate shows some degree …
Modeling crowd dynamics through coarse-grained data analysis
2018
International audience; Understanding and predicting the collective behaviour of crowds is essential to improve the efficiency of pedestrian flows in urban areas and minimize the risks of accidents at mass events. We advocate for the development of crowd traffic management systems, whereby observations of crowds can be coupled to fast and reliable models to produce rapid predictions of the crowd movement and eventually help crowd managers choose between tailored optimization strategies. Here, we propose a Bi-directional Macroscopic (BM) model as the core of such a system. Its key input is the fundamental diagram for bi-directional flows, i.e. the relation between the pedestrian fluxes and d…
Isobaric vapor–liquid equilibria for the system 1-pentanol–1-propanol–water at 101.3 kPa
2001
Consistent vapor–liquid equilibrium data for the ternary system 1-pentanol–1-propanol–water is reported at 101.3 kPa at temperatures in the range of 362–393 K. The VLE data were satisfactorily correlated with UNIQUAC model. The authors wish to thank the Generalitat Valenciana (Spain) for the financial help of the Project GV-3174/95 and DGES for the financial aids of the Project PB96-0338.
Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening
2014
Analyzing the chemical space coverage in commercial fragment screening collections revealed the overlap between bioactive medicinal chemistry substructures and rule-of-three compliant fragments is only ∼25%. We recommend including these fragments in fragment screening libraries to maximize confidence in discovering hit matter within known bioactive chemical space, while incorporation of nonoverlapping substructures could offer novel hits in screening libraries. Using principal component analysis, polar and three-dimensional substructures display a higher-than-average enrichment of bioactive compounds, indicating increasing representation of these substructures may be beneficial in fragment …
Building energy demand assessment through heating degree days: the importance of a climatic dataset
2019
Abstract The weather is one of the main factors to consider when designing a building because it represents the most important boundary condition to affect the dynamic behaviour of the building. In the literature, many studies use the degree day to predict building energy demand. However, linking the results obtained from a generic building simulation tool with defined degree days, will not give reliable energy evaluation. The goal of this study is to demonstrate that the assessment of building energy demand through the use of the degree day is correct only if the determination of the climate index is a function of the same weather data. The relationship between Heating Degree-Day and heati…
Building energy performance forecasting: A multiple linear regression approach
2019
Abstract Different ways to evaluate the building energy balance can be found in literature, including comprehensive techniques, statistical and machine-learning methods and hybrid approaches. The identification of the most suitable approach is important to accelerate the preliminary energy assessment. In the first category, several numerical methods have been developed and implemented in specialised software using different mathematical languages. However, these tools require an expert user and a model calibration. The authors, in order to overcome these limitations, have developed an alternative, reliable linear regression model to determine building energy needs. Starting from a detailed …
Supramolecular Eutecto Gels: Fully Natural Soft Materials
2018
The obtainment of materials featured by high environmental compatibility is one of the main goals of modern research. On this subject, we herein report the first example of supramolecular gel in deep eutectic solvents. In particular, we prepared gels of the L-amino acids isoleucine and tryptophan in choline chloride/phenylacetic acid 1:2. All gel components are readily available and nontoxic. Gels have been fully characterized by standard gelation tests, rheology, X-ray diffraction, morphology and gelation kinetics. Data collected show that gels properties depend on the gelator nature. In particular, gel phases exhibit strong colloidal forces and, this high mechanical resistance, together w…
Environmentally Friendly Eutectogels Comprising l-amino Acids and Deep Eutectic Solvents: Efficient Materials for Wastewater Treatment.
2020
Current concerns for sustainability and the environment make low-impact materials desirable for environmental remediation and, in particular wastewater treatment. We obtained supramolecular gels of l-amino acids in the deep eutectic solvent formed by choline chloride and phenylacetic acid. After gel characterization, and investigating gel-sol transition temperatures, gelation kinetics, rheological properties, and morphology, the gels were applied as sorbents to remove cationic dyes from aqueous solutions. The effects of the pH, dye nature, volume, and concentration of wastewater were analyzed, and the best result was obtained with a l-phenylalanine-based eutectogel. It can be reused for at …