Quantum chemical studies on corrosion inhibition for series of thio compounds on mild steel in hydrochloric acid

Quantum chemical calculations were performed on ten thio compounds using semi-empirical method PM3 within program package of Material Studio 5.5. The effect of molecular structure on the corrosion inhibition efficiency was investigated using the quantum chemical calculations. The electronic properties such as highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) energy levels, (LUMO–HOMO) energy gap, dipole moment (λ) and fraction of electron transfer (ΔN) were calculated and discussed. A relationship between the corrosion inhibition efficiency and several quantum parameters was established with coefficient correlation (R²) of 0.8894.     

Preparation and characterization study on maleic acid cross-linked poly(vinyl alcohol)/chitin/nanocellulose composites

In the quest on improving composite formulations for environmental sustainability, maleic acid (MA) cross-linked poly(vinyl alcohol) (PVA)-α-chitin composites reinforced by oil palm empty fruit bunch fibers (OPEFB)-derived nanocellulose crystals (NCC) had been successfully prepared. Based on the Fourier transform infrared (FTIR) spectroscopic analysis, it was proven that molecular interactions of the cross-linker to the polymeric networks was through conjugated ester linkage. Differential scanning calorimetry (DSC) showed that the influence of MA was minimal toward crystallization in the PVA/chitin/NCC composite. Maximum tensile strength, elongation at break and Young's modulus of the respective PVA/chitin/NCC composites were achieved at different content of MA, dependent on the PVA/chitin mass ratio. Among all compositions, a maximum Young's modulus was achieved at 30 wt% MA loading in PVA/chitin-30/NCC, amounting to 2,413.81 ± 167.36 MPa. Moreover, the mechanical properties and selected physicochemical properties (swelling, gel content, and contact angle) of the PVA/chitin/NCC composites could be tailored by varying the chitin content (10–30 wt%) and MA content (10–50 wt% based on total mass of composite). In brief, this chemically cross-linked PVA-based biocomposites formulated with sustainable resources exhibited tunable physicochemical and mechanical properties.     

Isoflurane Protects Against Human Endothelial Cell Apoptosis by Inducing Sphingosine Kinase-1 via ERK MAPK

Endothelial dysfunction is a major clinical problem affecting virtually every patient requiring critical care. Volatile anesthetics are frequently used during the perioperative period and protect the heart and kidney against ischemia and reperfusion injury. We aimed to determine whether isoflurane, the most commonly used volatile anesthetic in the USA, protects against endothelial apoptosis and necrosis and the mechanisms involved in this protection. Human endothelial EA.hy926 cells were pretreated with isoflurane or carrier gas (95% room air + 5% CO(2)) then subjected to apoptosis with tumor necrosis factor-α or to necrosis with hydrogen peroxide. DNA laddering and in situ Terminal Deoxynucleotidyl Transferase Biotin-dUTP Nick-End Labeling (TUNEL) staining determined EA.hy926 cell apoptosis and percent LDH released determined necrosis. We also determined whether isoflurane modulates the expression and activity of sphingosine kinase-1 (SK1) and induces the phosphorylation of extracellular signal regulated kinase (ERK MAPK) as both enzymes are known to protect against cell death. Isoflurane pretreatment significantly decreased apoptosis in EA.hy926 cells as evidenced by reduced TUNEL staining and DNA laddering without affecting necrosis. Mechanistically, isoflurane induces the phosphorylation of ERK MAPK and increased SK1 expression and activity in EA.hy926 cells. Finally, selective blockade of SK1 (with SKI-II) or S1P(1) receptor (with W146) abolished the anti-apoptotic effects of isoflurane. Taken together, we demonstrate that isoflurane, in addition to its potent analgesic and anesthetic properties, protects against endothelial apoptosis most likely via SK1 and ERK MAPK activation. Our findings have significant clinical implication for protection of endothelial cells during the perioperative period and patients requiring critical care.     

Supramolecular Architectures of Nucleic Acid/Peptide Hybrids

Supramolecular architectures that are built artificially from biomolecules, such as nucleic acids or peptides, with structural hierarchical orders ranging from the molecular to nano-scales have attracted increased attention in molecular science research fields. The engineering of nanostructures with such biomolecule-based supramolecular architectures could offer an opportunity for the development of biocompatible supramolecular (nano)materials. In this review, we highlighted a variety of supramolecular architectures that were assembled from both nucleic acids and peptides through the non-covalent interactions between them or the covalently conjugated molecular hybrids between them.     

FTIR spectroscopic determination of soap in refined vegetable oils

A new analytical method was developed for the determination of soap in palm and groundnut oils by FTIR spectroscopy. Soap from 0 to 80 mg/kg oil was produced in situ in the oils by adding sodium hydroxide. The FTIR spectroscopy was with a sodium chloride transmission cell, and the partial least-squares statistical method was used to calibrate a model for each oil. The accuracy of the method was comparable to that of AOCS Method Cc17-95, with coefficients of determination (R ²) of 0.98 and 0.98 for both palm and groundnut oils. The standard errors of calibration were 1.84 and 1.36 for the two oils, respectively. The calibration models were cross-validated, and the R ² of cross-validation and standard errors of cross validation were computed. The standard deviation of the difference for repeatability of the FTIR method was better than that for the chemical method used for determining soap in palm and groundnut oils. With its speed and ease of data manipulation by computer software, FTIR spectroscopy is a possible alternative to the standard wet chemical methods for rapid (2 min) and accurate routine determination of soap in chemically refined vegetable oils.     

Properties of Ferrite-Filled Natural Rubber Composites

Nickel zinc ferrite (Ni-ZnFe₂O₄)-filled natural rubber (NR) composite was prepared at various loading of ferrite. The tensile properties included in this study were tensile strength, tensile modulus and elongation at break. The tensile strength and elongation at break of the composites increased up to 40 parts per hundred rubber (phr) of ferrite and then decreased at higher loading whereas the tensile modulus was increased gradually with increasing of ferrite loading. Scanning electron microscopy (SEM) was used to determine the wettability of filler in rubber matrix. From the observation, the increase of filler loading reduced the wettability of the filler. Thermal stability of the composites was conducted by using a thermogravimetry analyser (TGA). The incorporation of ferrite in NR composites enhanced the thermal stability of NR composites. The swelling test results indicate that the swelling percentage of the composites decreased by increasing of ferrite loading. The initial permeability, μ_i and quality factor, Q of magnetic properties of NR composites achieved maximum value at 60 phr of ferrite loading for frequency range between 5000–40,000 kHz. The maximum impedance, Z _max of the NR composites was at the highest value at 80 phr ferrite loading for frequency range between 200–800 MHz.     

Catalytic Effect of Various Kaolinite Forms on the Emulsion Polymerization of Vinylacetate Using Acetone Sodium Bisulfite as Initiator

Kaolinite was intercalated with N-methylformamide (NMF) and dimethylsulphoxide (DMSO), separately. The intercalation of these species expanded the basal space of kaolinite from 0.72 to 1.08 and 1.13 nm, respectively as shown by the X-ray diffraction (XRD). Emulsion polymerization of vinylacetate (VAc) was carried out at different temperatures (60–80°C) using acetone sodium bisulfite as initiator in the absence and presence of untreated as well as the modified forrms of kaolinite (K-NMF, K-DMSO). The results revealed that the presence of kaolinite decreased the rate of polymerization (Rp) by factor of 4 at 60 and 70°C and 7 at 80°C and also the activation energy of polymerization (E _a ) was decreased from 43.35 × 10⁴ to 10.32 × 10⁴ J mole^?1 if compared with the polymerization of VAc in absence of kaolinite. Using the modified forms of kaolinite (K-NMF, K-DMSO) enhanced the Rp and reduced effectively the E _a to ? 27.92 and ? 55.78, respectively. Conversely to untreated kaolinite, the Rp was declining with increasing the temperature in these cases. In all cases, Rp was the highest in the absence of any kaolinite form but in the same time the E _a was also the highest. These results were discussed and explained on the basis of the catalytic activity of the different forms, radical scavenging nature of the kaolinite, and chain transfer.     

Mechanical Properties of Benzoylated Oil Palm Empty Fruit Bunch Short Fiber Reinforced Poly(vinyl chloride) Composites

The influence of untreated and benzoylated oil palm empty fruit bunch (OPEFB) short fiber loading on the mechanical properties of the poly(vinyl chloride) (PVC) composite was studied. Benzoylated OPEFB was produced by mixing OPEFB with NaOH solution and agitating vigorously with benzoyl chloride. The PVC resin, various additives, and OPEFB were first dry blended using a laboratory mixer before being milled into sheets on a two-roll mill at 165°C and then hot pressed into composite samples at 180°C. The tensile and impact strength of untreated and benzoylated OPEFB composites decreased whereas the tensile modulus increased with increasing fiber loading from 0 to 40 phr. However, the benzoylated OPEFB was able to improve the tensile properties and impact strength of composites when compared to the untreated fiber. The enhancement of mechanical properties showed that the treatment improved the OPEFB fiber-PVC matrix interfacial adhesion. The improvement of adhesion was clarified by SEM micrographs, the increase of water resistance, and the reduction of glass transition temperature of the composites.     

Preparation and Properties of Biodegradable Polymer Film Based on Polyvinyl Alcohol and Tropical Fruit Waste Flour

In this study, two different types of tropical fruit waste flour, rambutan waste flour (RWF) and banana waste flour (BWF), were blended with polyvinyl alcohol (PVOH) by solution casting method. The structure of the blend film was characterised by Fourier Transform Infrared Spectroscopy. The tensile strength and elongation at break of tropical fruit waste flour-filled polyvinyl alcohol were lower, but the tensile modulus was higher, than that of PVOH film. At a similar blend ratio, the tensile properties of the PVOH/RWF film were higher than the PVOH/BWF film, but the PVOH/BWF film showed higher water uptake than PVOH/RWF film.     

Formulation and Evaluation of an Automatic Dishwashing Detergent Containing T1 Lipase

The use of enzymes in detergent formulations is becoming popular due to the concerns about the environment. T1 lipase (E.C. 3.1.1.3) was evaluated for its stability and performance in dishwashing along with other common components of an automatic dishwashing detergent. Therefore, the process of formulating the detergent would depend on the stability of T1 lipase, which may also reflect the performance during the washing. T1 lipase was mostly stable in nonionic surfactants, especially those that were made of polyhydric alcohols. T1 lipase was also stable in a mixture of sodium carbonate and glycine. However, sodium carbonate alone destabilized T1 lipase possibly due to the interaction between carbonates and Ca²⁺. These results indicated that polyhydric alcohols and glycine had stabilizing effects on T1 lipase. The dishwashing performance was evaluated in term of percent soil removed. The dishwashing performance of the formulated detergent was positively affected by the increase in temperature but negatively affected by the presence of hard water, specifically Ca²⁺ and Mg²⁺. However, T1 lipase was not negatively affected by the presence of hard water, and this enzyme was enhanced by the presence of polyacrylates. The presence of Ca²⁺ improved the structural integrity of T1 lipase. It is generally known that most enzymes that depend on Ca²⁺ for their structural integrity would be greatly destabilized in the presence of metal chelators; thus, stabilizing strategies such as adding glycine would be essential to maintain enzyme activity during the wash.