Sparse PCA and investigation of multi-elements compositional repositories: theory and applications

The geochemistry of floodplain sediments is fundamental to monitor environmental changes and to quantify their contribution to natural and anthropic processes. A floodplain sediment composition is a vector of positive elements which sum to a fixed constant. The analysis of high-dimensional compositions requires methods that produce results involving only a small portion of the original variables. On the other hand, the analysis must take into account the additional constraints specific to compositions. With the purpose of studying these problems, a new procedure for sparse PCA is proposed on European floodplain sediment samples.     

Analysis and prediction of $$\mathrm{PM}_{10}$$ concentration levels in Tunisia using statistical learning approaches

Over the past years, the health impact of airborne particulate matter \(\mathrm{PM}_{10}\) has become a very topical subject. Thereby, a lot of research effort in the environmental sciences goes towards the modeling and the prediction of ambient \(\mathrm{PM}_{10}\) concentrations. In this paper, we are interested in the statistical classification of the daily mean \(\mathrm{PM}_{10}\) concentration in Tunisia according to the authority regulation. We consider two monitoring stations: a big industrial station and a traffic station. The main goal of this work is to determine the pertinent predictors of \(\mathrm{PM}_{10}\) concentration within a nonlinear multiclass framework. To do this, we used two popular statistical learning methods; the support vector machines (SVM) and the random forests (RF). The statistical results obtained on the real datasets, show that RF outperform SVM for the purpose of variable selection even with a reduced number of observations compared to the number of explicative variables. It was also demonstrated that the \(\mathrm{PM}_{10}\) concentration measured yesterday is the most relevant predictor of its present-day value. Moreover, we found that the more delayed values of \(\mathrm{PM}_{10}\) concentration may be crucial to get an accurate prediction.     

Vertical oil dispersion profile under non-breaking regular waves

An experimental program was conducted to investigate vertical oil dispersion of surface oil spills under non-breaking regular waves. The variation in oil concentration caused by oil dispersion in a water column was studied to determine the vertical oil dispersion profile. The experiments were performed using different waves characteristics for different volumes of oil spill to evaluate the variation in oil concentration at three depths at two sampling stations. The correlations between oil concentration and the main parameters of wave characteristics, oil spill volume, sampling depth, and distance of sampling stations to spill location were assessed. The results revealed that the trend of variation in oil concentration versus wave steepness is linear. The results obtained from experimental measurements indicated that the oil concentrations at mid-depth were 44–77 % and the concentrations near the flume bed were 12–33 % of the concentration near the water surface.     

Simulations of the flow in the Mahakam river–lake–delta system,Indonesia

Large rivers often present a river–lake–delta system, with a wide range of temporal and spatial scales of the flow due to the combined effects of human activities and various natural factors, e.g., river discharge, tides, climatic variability, droughts, floods. Numerical models that allow for simulating the flow in these river–lake–delta systems are essential to study them and predict their evolution under the impact of various forcings. This is because they provide information that cannot be easily measured with sufficient temporal and spatial detail. In this study, we combine one-dimensional sectional-averaged (1D) and two-dimensional depth-averaged (2D) models, in the framework of the finite element model SLIM, to simulate the flow in the Mahakam river–lake–delta system (Indonesia). The 1D model representing the Mahakam River and four tributaries is coupled to the 2D unstructured mesh model implemented on the Mahakam Delta, the adjacent Makassar Strait, and three lakes in the central part of the river catchment. Using observations of water elevation at five stations, the bottom friction for river and tributaries, lakes, delta, and adjacent coastal zone is calibrated. Next, the model is validated using another period of observations of water elevation, flow velocity, and water discharge at various stations. Several criteria are implemented to assess the quality of the simulations, and a good agreement between simulations and observations is achieved in both calibration and validation stages. Different aspects of the flow, i.e., the division of water at two bifurcations in the delta, the effects of the lakes on the flow in the lower part of the system, the area of tidal propagation, are also quantified and discussed.     

Photochemical indicators of ozone sensitivity: application in the Pearl River Delta,China

Surface O₃ production has a highly nonlinear relationship with its precursors. The spatial and temporal heterogeneity of O₃-NO _x -VOC-sensitivity regimes complicates the control-decision making. In this paper, the indicator method was used to establish the relationship between O₃ sensitivity and assessment indicators. Six popular ratios indicating ozone-precursor sensitivity, HCHO/NO _y , H₂O₂/ HNO₃, O₃/NO _y , O₃/NO _z , O₃/HNO₃, and H₂O₂/NO _z , were evaluated based on the distribution of NO_x- and VOC-sensitive regimes. WRF-Chem was used to study a serious ozone episode in fall over the Pearl River Delta (PRD). It was found that the south-west of the PRD is characterized by a VOCsensitive regime, while its north-east is NO _x -sensitive, with a sharp transition area between the two regimes. All indicators produced good representations of the elevated ozone hours in the episode on 6 November 2009, with H₂O₂/HNO₃ being the best indicator. The threshold sensitivity levels for HCHO/NO_y, H₂O₂/HNO₃, O₃/NO _y , O₃/NO _z , O₃/HNO₃, and H₂O₂/NO _z were estimated to be 0.41, 0.55, 10.2, 14.0, 19.1, and 0.38, respectively. Threshold intervals for the indicators H₂O₂/HNO₃, O₃/NO _y , O₃/NO _z , O₃/HNO₃, and H₂O₂/NO _z were able to identify more than 95% of VOC- and NO _x -sensitive grids. The ozone episode on 16 November 16 2008 was used to independently verify the results, and it was found that only H₂O₂/HNO₃ and H₂O₂/NO _z were able to differentiate the ozone sensitivity regime well. Hence, these two ratios are suggested as the most appropriate indicators for identifying fall ozone sensitivity in the PRD. Since the species used for indicators have seasonal variation, the utility of those indicators for other seasons should be investigated in the future work.

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Improving simulations of sulfate aerosols during winter haze over Northern China: the impacts of heterogeneous oxidation by NO<Subscript>2</Subscript>

We implemented the online coupled WRF-Chem model to reproduce the 2013 January haze event in North China, and evaluated simulated meteorological and chemical fields using multiple observations. The comparisons suggest that temperature and relative humidity (RH) were simulated well (mean biases are–0.2K and 2.7%, respectively), but wind speeds were overestimated (mean bias is 0.5 m?s^–1). At the Beijing station, sulfur dioxide (SO₂) concentrations were overpredicted and sulfate concentrations were largely underpredicted, which may result from uncertainties in SO₂ emissions and missing heterogeneous oxidation in current model. We conducted three parallel experiments to examine the impacts of doubling SO₂ emissions and incorporating heterogeneous oxidation of dissolved SO₂ by nitrogen dioxide (NO₂) on sulfate formation during winter haze. The results suggest that doubling SO₂ emissions do not significantly affect sulfate concentrations, but adding heterogeneous oxidation of dissolved SO₂ by NO₂ substantially improve simulations of sulfate and other inorganic aerosols. Although the enhanced SO₂ to sulfate conversion in the HetS (heterogeneous oxidation by NO₂) case reduces SO₂ concentrations, it is still largely overestimated by the model, indicating the overestimations of SO₂ concentrations in the North China Plain (NCP) are mostly due to errors in SO₂ emission inventory.

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Approaching the binding between Cu(II) and aerobic granules by a modified titration and µ-XRF

Interactions between metals and activated sludge can substantially affect the fate and transport of heavy metals in wastewater treatment plants. Therefore, it is important to develop a simple, fast and efficient method to elucidate the interaction. In this study, a modified titration method with a dynamic mode was developed to investigate the binding of Cu(II), a typical heavy metal, onto aerobic granules. The titration results indicated that pH and ionic strength both had a positive effect on the biosorption capacity of the granular sludge. The µ-XRF results demonstrated that the distribution of metals on the granular surface was heterogeneous, and Cu showed strong correlations and had the same “hot spots” positions with other metal ions (e.g., Ca, Mg, Fe etc.). Ion exchange and complexing were the main mechanisms for the biosorption of Cu(II) by aerobic granules. These results would be beneficial for better understanding of Cu(II) migration and its fate in wastewater treatment plants.     

Characterization and Release Kinetics of Allylthiosufinate and its Transforments from Poly(d,l-Lactide) Microspheres

In this work was described poly(d,l-lactide) microwave synthesis using tin(II) 2-ethylhexanoate initiated ring-opening polymerization. Polymerization was performed at 100 °C with monomer to initiator molar ratio ([M]/[I]) of 5,000 in 30 min. The achieved number average molar mass of obtained polymers (determined by gel permeation chromatography) was 102,320 g/mol, with the polydispersion index, Q, 2.80. Structural characterization was performed by FT-IR spectroscopy followed characteristic bands. For applicative purposes the obtained polymer was purified during the procedure of microsphere preparation. Biodegradable microspheres prepared from poly(d,l-lactide) have been widely studied in recent years and have become well established controlled drug delivery systems. In this work microspheres were loaded with allyl thiosulfinate (allicin) and its transforments products (ajoene and vinyldithiine), as pharmacological active substances. The morphology of the microspheres was analyzed using a scanning electron microscope. Allicin was synthesized by acid oxidation of allyl disufide and purification of obtained products by liquid–liquid extraction with diethyl ether. Obtained allicin, purity 73%, was transformed using microwave in acetone solution, at solvent boiling temperature, for 5 min. For the quality and quantity analysis of allicin and its transformation process was used LC/MS chromatography. (E)- and (Z)-ajoene were detected at retention time 3.1 and 3.3 min, respectively, whence 3-vynil-4H-1,2-dithiine and 2-vynil-4H-1,3-dithiine were detected at 4.3 and 4.8 min, respectively. Retention time of allicin was 2.93 min, according to liquid chromatography results. HPLC method was used for assessment of pharmaceutical substances (alicine and alicine transforments) releasing from microspheres at room temperature in solutions with different pH (pH = 3 and pH = 8) for 24 h.     

Degradation of Polycaprolactone Modified with TPS or CaCO3 in Biotic/Abiotic Seawater

This paper is an investigation of the polymer degradation process in two types of seawater (with and without microorganisms) sourced from the Baltic Sea. The chosen polymeric materials were polycaprolactone modified with either thermoplastic starch (PCL/TPS?>?85%) or calcium carbonate (60% PCL/40% CaCO₃) compared directly against unmodified polycaprolactone. All samples were incubated for 28?weeks in seawater with and without microorganisms under laboratory conditions and analysed before and after the degradation process. Weight loss analysis, microscopic observations of polymer surfaces and tensile strength tests were used to determine the progress of polymer degradation. The experimental results obtained indicated, that in each of the experiments, degradation of tested polymeric samples occured. The process was more effective in seawater with microorganisms compared against systems without added microorganisms. The experiment in seawater demonstrated that modification of PCL with calcium carbonate did not encourage the degradation process; and in some circumstances inhibited it.     

PET from Used Beverage Bottles: A Material for Preparation of Biologically Degradable Copolyesters

Poly(ethylene terephthalate) from used colorless beverage bottles was solvolyzed by ethane-1,2-diol. Hydroxyl end-groups present in the mixture of polyols formed were used to initiate the polymerization of ??-caprolactone (CLO) at 190?°C. Polycondensation (190?°C) of the reaction mixture containing an equilibrium amount of lactone corresponding to the reaction temperature yield an aliphatic?Caromatic copolyester. A variety of copolyesters containing 20?C60?mol. % CLO structural units was prepared. The microstructure of their macromolecules was analyzed using ¹H?NMR spectroscopy. Copolyesters were characterized by thermal analysis and tensile tests and their biodegradation potential was checked by the composting test.