Synthesis of Vanadium Pentoxide Nanoparticles as Catalysts for the Ozonation of Palm Oil

Vanadium pentoxide nanoparticles were synthesized using a solvo-thermal method and were characterized via X-ray powder diffraction (XRD) and field emission scanning electron microscopy (FE-SEM). The ozonation of palm oil was performed by using vanadium pentoxide nanoparticles as catalysts to synthesize ethyl malonate. This procedure presented several advantages, such as simple operation for a precise ozonation, excellent yield, short reaction times and reusability because of the recyclability of palm oil. Ethyl malonate was synthesized via the one-step ozonolysis of palm oil and was spectroscopically characterized using gas chromatography-mass spectroscopy (GC-MS).     

Inhibition of Aluminum Alloy Corrosion in 0.5 M Nitric Acid Solution by 4-4-Dimethyloxazolidine-2-thione

The corrosion inhibition of Al-Alloy (Al2024) in 0.5 M nitric acid solution at 30 °C was achieved using 4-4-dimethyloxazolidine-2-thione (DMT) as a corrosion inhibitor. The electrochemical performance of the DMT was studied by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization measurements, and scanning electron microscopic study (SEM). The results indicated that DMT acts as an inhibitor for Al2024 in 0.5 M nitric acid. Polarization curves indicated that DMT was a mixed-type inhibitor. Inhibition efficiencies were observed to be increased with an increase in DMT concentration and attains approximately to 93.4% at 2 mM of DMT in 0.5 M nitric acid. The adsorption of DMT model on Al2024 surface obeyed in accordance with Langmuir adsorption isotherm model. The value of the free energy of adsorption ΔG _ads indicated that the adsorption of DMT molecule was a spontaneous process and was typical of physical and chemical adsorption.     

Influence of nitrogen doping on carbon nanotubes towards the structure,composition and oxygen reduction reaction

Nitrogen-doped carbon nanotubes (NCNTs) as noble-metal free catalysts were synthesised via chemical vapour deposition using iron (II) phthalocyanine as a metal catalyst for growth of the nanotubes. The synthesis process was performed in one step in a tube furnace using different chemical precursors (aniline, diethylamine and ethylenediamine) as nitrogen sources. The NCNT samples were physically characterised using scanning electron microscopy, transmission electronic microscopy and X-ray photoelectron spectroscopy. Cyclic voltammetry measurements were conducted to investigate the oxygen reduction reaction (ORR), and they showed that the electrocatalytic activities depend on the structural and morphological changes in the NCNTs. The results showed that NCNTs synthesised from ethylenediamine precursors exhibit an ORR scheme proceed via indirect four electron transfer process in acidic media, which implies that these NCNTs are a candidate for serving as the cathodic catalyst in PEMFCs. The highly active NCNTs possess unique characteristics, including a high concentration of surface defects with high pyridinic-N and pyridinic-N-oxides configurations that serve as active sites for ORR activity in acidic media.     

有限变形理论能量释放率增率形式

基于有限变形理论中的能量原理和变分原理,考虑以有裂纹的瞬时位形为参考,建立增量变形引起的裂纹扩展方程能够更真实的描述裂纹尖端的扩展机制,在含有裂纹物体的瞬时变形的基础上,推导了裂纹体的能量释放率和增率的形式,提出了裂纹扩展判据.该判据反映了单位时间内裂纹扩展单位面积可以提供的能量与单位时间内裂纹扩展单位面积所需要的能量...     

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.     

Effect of multivitamins on plasma homocysteine and folate levels in patients on hemodialysis

Three new triterpene lactones, lancilactones A (1), B (2), and C (3), together with the known kadsulactone A (4), were isolated from the stems and roots of Kadsura lancilimba. Their structures and stereochemistries were determined primarily from mass and NMR spectral data. Compound 3 inhibited HIV replication with an EC50 value of 1.4 microg/mL and a therapeutic index of greater than 71.4.     

Serotonin 5-HT2 receptors in schizophrenia: a PET study using [18F]setoperone in neuroleptic-naive patients and normal subjects

BACKGROUND: In the FRISC trial, dalteparin 120 IU/kg body weight twice daily for unstable coronary artery disease was safe and reduced the risk of new coronary events. This risk reduction was maintained during the following extended treatment with a fixed dose of 7500 IU dalteparin once daily. METHODS AND RESULTS: Minor bleeding was more frequent in women compared with men: relative risk (CI) 2.88 (1.78 to 4.67) during the weight-adjusted and 2.36 (1.37 to 2.63) during the fixed dose treatment. The anti-Xa activity determined in samples (n = 175) obtained during the acute phase treatment was higher in women compared with men (P <.001) and in nonsmokers compared with smokers (<.001) in multiple regression analysis. Also, during the fixed-dose treatment (n = 131) an independent relation between anti-Xa activity and sex (P <.001), but not smoking habits, persisted. CONCLUSION: To improve future low-molecular-weight heparin dose regimens for the treatment of acute coronary syndromes, it might be important to consider the influence of sex and smoking habits.     

Effects of substitutions in the binding surface of an antibody on antigen affinity

The interactions between the Fab and single-chain Fv (scFv) fragments of an antibody (NC10) and its antigen, influenza virus neuraminidase, were analysed in the crystal structures of the Fab-neuraminidase and scFv-neuraminidase complexes. To investigate the contribution to binding made by cavities, salt links and hydrogen bonds in the antibody- antigen interface, 14 single amino acid replacements were made at six contact residues in the scFv fragment by site-directed mutagenesis. The binding affinity of each mutant scFv antibody for neuraminidase was determined with a BIAcore optical biosensor. Four of the mutations resulted in large changes in the free energy of binding to neuraminidase (deltadeltaG > 1 kcal/mol) and together may account for approximately 70% of the free energy of binding. Hence these data support the theory that a small number of residues form the 'functional epitope' and are most important for binding of NC10 to neuraminidase. The salt link between antibody residue (Asp)H56 and (Lys)N432 from neuraminidase was demonstrated to be important for affinity, since substitution of (Asp)H56 with Asn caused a large reduction in the free energy of binding (deltadeltaG = +2.8 kcal/mol). Hydrogen bonds provided by (Tyr)L32 and (Asp)H56 were also important for binding: mutation of (Tyr)L32 to Phe resulted in a significant reduction in binding affinity (deltadeltaG = +1.7 kcal/mol). Disruption of hydrophobic interactions (van der Waals contacts) led to significant reductions in affinity also ((Tyr)H99 to Ala, deltadeltaG = +1.5 kcal/mol; (Leu)L94 to Ala, deltadeltaG > +3.0 kcal/mol). An attempt to increase binding affinity by filling a cavity in the interface with a larger antibody side chain was unsuccessful, as the free energy gained by new antibody-antigen interactions did not compensate for the removal of cavity-bound water molecules.      

Vasopeptidase inhibitors: incorporation of geminal and spirocyclic substituted azepinones in mercaptoacyl dipeptides

A series of 7-(di)alkyl and spirocyclic substituted azepinones were generated and incorporated as conformationally restricted dipeptide surrogates in mercaptoacyl dipeptides. Clear structure-activity relationships with respect to both angiotensin-converting enzyme (ACE) and neutral endopeptidase (NEP) activity in vitro were observed. The best in this series, compound 1g, a geminally dimethylated C-7-substituted azepinone, demonstrated excellent blood pressure lowering in animal models. Compound 1g (BMS-189921) is characterized by a good duration of activity and excellent oral efficacy in models relevant to ACE or NEP inhibition, and its activity is comparable to that of the clinically efficacious agent omapatrilat. Consequently this inhibitor has been advanced clinically for the treatment of hypertension and congestive heart failure.