Prediction of Surfactant Retention in Porous Media: A Robust Modeling Approach

Demands for hydrocarbon production have been increasing in recent decades. As a tertiary production processes, chemical flooding is one of the effective technologies to increase oil recovery of hydrocarbon reservoirs. Retention of surfactants is one of the key parameters affecting the performance and economy of a chemical flooding process. The main parameters contribute to surfactant retention are mineralogy of rock, surfactant structure, pH, salinity, acidity of the oil, microemulsion viscosity, co-solvent concentration, and mobility. Despite various theoretical studies carried out so far, a comprehensive and reliable predictive model for surfactant retention is still found lacking. In this communication, a mathematical method based on machine learning approach, namely, least square support vector machine modeling is evolved for this purpose. To this end, the model was developed and tested using experimental dynamic surfactant retention data over a wide range of conditions. The results show that the developed model provides predictions in good agreement with experimental retention data. Moreover, it is shown that the developed model is capable of simulating the actual physical trend of surfactant retention versus three most important input parameters: total acid number of oil, pH, and mobility ratio. Finally, for detection of the probable doubtful retention data, outlier diagnosis was performed on the whole data set.     

Exploring Thermophilic Cellulolytic Enzyme Production Potential of Aspergillus fumigatus by the Solid-State Fermentation of Wheat Straw

Cellulases can be used for biofuel production to decrease the fuel crises in the world. Microorganisms cultured on lignocellulosic wastes can be used for the production of cellulolytic enzymes at large scale. In the current study, cellulolytic enzyme production potential of Aspergillus fumigatus was explored and optimized by employing various cultural and nutritional parameters. Maximum endoglucanase production was observed after 72 h at 55 °C, pH 5.5, and 70 % moisture level. Addition of 0.3 % of fructose, peptone, and Tween-80 further enhanced the production of endoglucanase. Maximum purification was achieved with 40 % ammonium sulfate, and it was purified 2.63-fold by gel filtration chromatography. Endoglucanase has 55 °C optimum temperature, 4.8 optimum pH, 3.97 mM K _m, and 8.53 μM/mL/min V _max. Maximum exoglucanase production was observed at 55 °C after 72 h, at pH 5.5, and 70 % moisture level. Further addition of 0.3 % of each of fructose, peptone, and Tween-80 enhances the secretion of endoglucanase. It was purified 3.30-fold in the presence of 40 % ammonium sulfate followed by gel filtration chromatography. Its optimum temperature was 55 °C, optimum pH was 4.8, 4.34 mM K _m, and 7.29 μM/mL/min V _max. In the case of β-glucosidase, maximum activity was observed after 72 h at 55 °C, pH 5.5, and 70 % moisture level. The presence of 0.3 % of fructose, peptone, and Tween-80 in media has beneficial impact on β-glucosidase production. A 4.36-fold purification was achieved by 40 % ammonium sulfate precipitation and gel filtration chromatography. Optimum temperature of β-glucosidase was 55 °C, optimum pH was 4.8, K _m was 4.92 mM, and V _max 6.75 μM/mL/min. It was also observed that fructose is better than glucose, and peptone is better than urea for the growth of A. fumigatus. The K _m and V _max values indicated that endoglucanase, exoglucanase, and β-glucosidase have good affinity for their substrates.     

H6P2W18O62: A green and reusable catalyst for the synthesis of 3,3-diaryloxindole derivatives in water

An efficient and improved procedure for the synthesis of oxindoles derivatives is developed via the electrophilic substitution reaction of indoles with various isatins in the presence of a Wells–Dawson tungsten heteropolyacid in water.     

A facile route to N-acetyl α,β-unsaturated γ-lactam derivatives using ethyl acetamidocyanoacetate and dialkyl acetylenedicarboxylate in the presence of triphenylphosphine

The three component reaction of ethyl acetamidocyanoacetate with dialkyl acetylenedicarboxylates and triphenylphosphine leads to phosphorus ylides in good yields. These ylides undergo a 1,2-proton shift, loss of triphenylphosphine, and subsequent intramolecular amidation leads to the formation of N-acetyl α,β-unsaturated γ-lactams.     

Fabrication of polyaniline‐coated halloysite nanotubes by in situ chemical polymerization as a solid‐phase microextraction coating for the analysis of volatile organic compounds in aqueous solutions

We have synthesized an organic–inorganic polyaniline–halloysite nanotube composite by an in situ polymerization method. This nanocomposite is immobilized on a stainless‐steel wire and can be used as a fiber coating for solid‐phase microextraction. It was found that our new solid‐phase microextraction fiber is an excellent adsorbent for the extraction of some volatile organic compounds in aqueous samples in combination with gas chromatography and mass spectrometry. The coating can be prepared easily, is mechanically stable, and exhibits relatively high thermal stability. It is capable of extracting phenolic compounds from water samples. Following thermal desorption, the phenols were quantified by gas chromatography with mass spectrometry. The effects of extraction temperature, extraction time, sample ionic strength, stirring rate, pH, desorption temperature and desorption time were studied. Under optimal conditions, the repeatability for one fiber (n = 5), expressed as the relative standard deviation, is between 6.2 and 9.1%. The detection limits range from 0.005 to 4 ng/mL. The method offers the advantage of being simple to use, with a shorter analysis time, lower cost of equipment and higher thermal stability of the fiber in comparison to conventional methods of analysis.     

A convergent synthesis of the tricyclic core of the dictyosphaeric acids

The first synthetic route to the tricyclic core of the dictyosphaeric acids has been established starting from readily available (S)-(-)-4-(tert-butyldimethylsilyloxy)cyclohexenone and involving 9 steps, including a ring-closing metathesis to produce a 13-membered macrolactone, and a doubly tethered intramolecular Michael addition.     

Closing the Ring to Bring Up the Light: Synthesis of a Hexacyclic Acridinium Cyanine Dye

The synthesis of a geometrically constrained and near‐planar hexacyclic acridinium cyanine dye 9 is reported. When compared to its unlocked and non‐fluorescent monomethine cyanine dye analogue 3 , this photostable dye emits in the green area of the spectrum with a remarkable quantum yield close to unity in organic solvents and above 0.5 in water. A detailed steady‐state and time‐resolved spectroscopic study revealed that dye 9 forms emissive aggregates in water, which are responsible for a red‐shifted and broadened emission band and longer emission lifetime, τ≈33 compared to 6.5–7.0 ns for the monomeric dye. Dye 9 also binds strongly to DNA (both duplex and quadruplex) in its monomeric form and is very efficiently taken up by cells, in which it accumulates primarily into the nucleus.     

Synthesis,characterization and impregnation of lead sulphide semiconductor nanoparticles on polymer matrix

Lead sulphide nanoparticles were prepared using a precursor and dual sources methods. The composites were fabricated by stabilizing chemically synthesized semiconductor PbS nanocrystals into laurylmethacrylate and ethyleneglycol dimethacrylate matrix in the presence of tri-n-octylphosphine. PbS nanocrystals were dispersed in toluene as a compatible medium for the polymerization and cross-linking of poly laurylmethacrylate networks. The nano-sized particles and polymer composites were characterized by XRD and TEM. Possible formulations and incorporation of these PbS nanoparticles in polymer matrix have been discussed. The reported lead sulphide nanoparticles into tailered polymeric system show greater uniformity and stability.     

Photocatalytic decolorization of Brilliant Golden Yellow in TiO2 and ZnO suspensions

Photocatalytic decolorization of BGY, an anionic dye, has been investigated in TiO₂ and ZnO aqueous dispersions under UV-light irradiation. Spectrum of the dye has been found unaffected in the pH range 4.21–11.30. Adsorption is a prerequisite for the metal oxide-mediated photodegradation/photodecolorization and the extent of decolorization has been discussed in terms of the Langmuir–Hinshelwood model. Complete decolorization was achieved in case of UV irradiation whereas degradation of BGY was found to be about ca.75%. ZnO-mediated decolorization has appeared to be better and faster. The effects of various parameters, such as catalyst loading, pH and initial concentration of the dye on decolorization have been investigated.     

Investigation of the behavior of HSA upon binding to amlodipine and propranolol: Spectroscopic and molecular modeling approaches

The interaction between human serum albumin (HSA) and two drugs - amlodipine and propranolol - was investigated using fluorescence, UV absorption and circular dichroism (CD) spectroscopy. In addition, the binding site was established by applying molecular modeling technique. Fluorescence data suggest that amlodipine will quench the intrinsic fluorescence of HSA; whereas propranolol enhances the fluorescence of HSA. The binding constants for the interaction of amlodipine and propranolol with HSA were found to be 3.63×10(5)M(-1) and 2.29×10(4)M(-1), respectively. The percentage of secondary structure feature of each one of the HSA-bound drugs, i.e. the α-helix content, was estimated empirically by circular dichroism. The results indicated that amlodipine causes an increase, and that propranolol leads to a decrease in α-helix content of HSA. The spectroscopic analysis indicates that the binding mechanisms of the two drugs are different from each other. The data obtained by the molecular modeling study indicated that these drugs bind, with different affinity, to different sites located in subdomain IIA and IIIA.