Crystal structure of 1-hydroxy-1,2,3-benzotriazolium diphenyl phosphate reveals strong NHO and OHO hydrogen bonds

The structure of 1-hydroxy-1,2,3-benzotriazolium diphenyl phosphate (HOBt/DPP) has been investigated by X-ray analysis. The compound crystallizes in the monoclinic space group P2₁/n with Z = 4 and the following lattice parameters: a = 11.711(2), b = 12.727(2) and c = 12.794(3) Å, β = 105.12(2)°, V = 1840.9(6) ų. The structure was solved by direct methods and refined on F² to R values of wR2 = 0.084 and R1 = 0.034 for 1985 observed reflections. HOBt/DPP has an ionic structure with very short OHO and NHO hydrogen bonds linking the different ions. Owing to these hydrogen bonds, infinite screw-shaped chains which are twisted parallel to the y-axis are formed.     

Neutrophil Immunomodulatory Activity of (−)-Borneol,a Major Component of Essential Oils Extracted from Grindelia squarrosa

Grindelia squarrosa (Pursh) Dunal is used in traditional medicine for treating various diseases; however, little is known about the immunomodulatory activity of essential oils from this plant. Thus, we isolated essential oils from the flowers (GEO_Fl) and leaves (GEO_Lv) of G. squarrosa and evaluated the chemical composition and innate immunomodulatory activity of these essential oils. Compositional analysis of these essential oils revealed that the main components were α-pinene (24.7 and 23.2% in GEO_Fl and GEO_Lv, respectively), limonene (10.0 and 14.7%), borneol (23.4 and 16.6%), p-cymen-8-ol (6.1 and 5.8%), β-pinene (4.0 and 3.8%), bornyl acetate (3.0 and 5.1%), trans-pinocarveol (4.2 and 3.7%), spathulenol (3.0 and 2.0%), myrtenol (2.5 and 1.7%), and terpinolene (1.7 and 2.0%). Enantiomer analysis showed that α-pinene, β-pinene, and borneol were present primarily as (−)-enantiomers (100% enantiomeric excess (ee) for (−)-α-pinene and (−)-borneol in both GEO_Fl and GEO_Lv; 82 and 78% ee for (−)-β-pinene in GEO_Fl and GEO_Lv), while limonene was present primarily as the (+)-enantiomer (94 and 96 ee in GEO_Fl and GEO_Lv). Grindelia essential oils activated human neutrophils, resulting in increased [Ca²⁺]_i (EC₅₀ = 22.3 µg/mL for GEO_Fl and 19.4 µg/mL for GEO_Lv). In addition, one of the major enantiomeric components, (−)-borneol, activated human neutrophil [Ca²⁺]_i (EC₅₀ = 28.7 ± 2.6), whereas (+)-borneol was inactive. Since these treatments activated neutrophils, we also evaluated if they were able to down-regulate neutrophil responses to subsequent agonist activation and found that treatment with Grindelia essential oils inhibited activation of these cells by the N-formyl peptide receptor 1 (FPR1) agonist fMLF and the FPR2 agonist WKYMVM. Likewise, (−)-borneol inhibited FPR-agonist-induced Ca²⁺ influx in neutrophils. Grindelia leaf and flower essential oils, as well as (−)-borneol, also inhibited fMLF-induced chemotaxis of human neutrophils (IC₅₀ = 4.1 ± 0.8 µg/mL, 5.0 ± 1.6 µg/mL, and 5.8 ± 1.4 µM, respectively). Thus, we identified (−)-borneol as a novel modulator of human neutrophil function.     

Sarcorucinine-D Inhibits Cholinesterases and Calcium Channels: Molecular Dynamics Simulation and In Vitro Mechanistic Investigations

Acetylcholinesterase (AChE) inhibitors and calcium channel blockers are considered effective therapies for Alzheimer’s disease. AChE plays an essential role in the nervous system by catalyzing the hydrolysis of the neurotransmitter acetylcholine. In this study, the inhibition of the enzyme AChE by Sarcorucinine-D, a pregnane type steroidal alkaloid, was investigated with experimental enzyme kinetics and molecular dynamics (MD) simulation techniques. Kinetics studies showed that Sarcorucinine-D inhibits two cholinesterases—AChE and butyrylcholinesterase (BChE)—noncompetitively, with K_i values of 103.3 and 4.66 µM, respectively. In silico ligand-protein docking and MD simulation studies conducted on AChE predicted that Sarcorucinine-D interacted via hydrophobic interactions and hydrogen bonds with the residues of the active-site gorge of AChE. Sarcorucinine-D was able to relax contractility concentration-dependently in the intestinal smooth muscles of jejunum obtained from rabbits. Not only was the spontaneous spasmogenicity inhibited, but it also suppressed K⁺-mediated spasmogenicity, indicating an effect via the inhibition of voltage-dependent Ca²⁺ channels. Sarcorucinine-D could be considered a potential lead molecule based on its properties as a noncompetitive AChE inhibitor and a Ca²⁺ channel blocker.     

不同晶形纳米碳酸钙的制备及其表面改性研究进展

本文综述了不同晶形纳米碳酸钙的制备方法、纳米碳酸钙表面改性技术的研究现状以及表面改性方法,分析了目前纳米碳酸钙制备及表面改性技术存在的问题,并对其发展前景作了展望.     

Autoradiographische Untersuchungen zur Vermisechung von Baustoffkomponenten

Die Feinverteilung des Kalkes im Kalk-Quarzsand-Gemisch ist eine notwendige Bedingung fur hohe erreichbare Festigkeit der Silikatbaustoffe. Vergleiehende Untersuchungen über die Kalkverteilung an neutronenaktivierten feinkörnigen Baustoffproben mit Hilfe von Szintillationsmessungen des ⁴⁷Ca-Gehaltes und mittels autoradiographischer Darstellung der Kalkverteilung in kleinen Prüfkörpern unter Ausnützung der relativ weichen β-Strahlung des ⁴⁵Ca ergaben, daβ die autoradiographischen Aussagen über die Homogenität der Proben am besten mit den Festigkeitsiwerten der Prüfkörper korrespondieren.     

Synthesis and antitumour activity of inositol phosphonate analogues

Inositol phosphates regulate important biological functions in intracellular signal transduction events. Phosphonates, because of the stability towards the action of phosphatases, were extensively used to replace phosphates. We herein reported the synthesis of inositol phosphonate analogues using myo-inositol as the starting material, and found that two of phosphonate analogues exhibited relative good cytotoxic activity against non-small cell lung cancer (NSCLC) cell line A549.     

Effect of calcination temperature on the structure of vanadium phosphorus oxide materials and their catalytic activity in the decomposition of 2-propanol

The synthesis of vanadyl phosphate by reaction of an alcoholic solution of V₂O₅ and o-H₃PO₄ has been studied. The solids obtained were investigated by various physico-chemical techniques as in situ X-ray diffraction (XRD), thermogravimetric analysis (TGA), and differential thermal analysis (DTA) under inert atmosphere. The compounds have been further characterized by infrared and UV–Visible spectroscopies. The isopropanol conversion is carried out to evaluate the catalytic activity of the samples. The isopropanol conversion increases with the reaction temperature from 433 to 503 K for vanadyl phosphorus oxides calcined at a different temperature. However, the conversion attains 100% at 503 K, and the solid calcined at 973 K exhibits high selectivity towards propene (100% at 503 K).     

Corrosion inhibition of ammonium molybdate for AA6061 alloy in NaCl solution and its synergistic effect with calcium gluconate

The corrosion inhibition of ammonium heltamolybdate (AH) and calcium gluconate (CG) for AA6061 alloy in 3% NaCl solution was investigated by the electrochemical measurements. It indicates that AH inhibits the corrosion of AA6061 alloy and acts as an anodic inhibitor. Maximum inhibition efficiency reaches 74.3% at the concentration of 1 × 10^?4 mol.l^?1 AH. The results of the electrochemical studies reveal AH is physically adsorbed on the AA6061 alloy surface and the adsorption follows Langmuir isotherm. The combination of AH and CG enhances the inhibition efficiency to 95.9%. The enhanced inhibition is attributed to the promotion of AH adsorption by CG. The mixture of AH and CG is a mixed‐type inhibitor and renders the corrosion potential to more positive values. Copyright © 2011 John Wiley & Sons, Ltd.     

二苯甲酮的绿色合成路线研究

用流变相法合成了苯甲酸钙,通过元素分析,红外光谱谱定了它的组成和晶体结构,用DTA和TG研究在它在氮气气氛中的热分解过程,并用红外光谱表征了热分解产物,苯甲酸钙在氮气中分两步分解,首先分解生成碳酸钙和二苯甲酮等,碳酸钙进一步分解生成氧化钙,由此确定了二苯甲酮的绿色合成路线。