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131.
Diacylglycerols (DAGs) are important second messengers in biomembranes, and they can activate protein kinase C and many other enzymes and receptors. However, their interactions with cholesterol and other lipids have not been previously studied using molecular dynamics (MD) simulation. In this study, nine independent atomistic MD simulations were performed to specifically investigate the interactions between di16:0DAG, 16:0,18:1-phosphatidylcholine (POPC), and cholesterol. Despite of their substantial differences in chemical structure, DAG and cholesterol produce some very similar effects in POPC bilayers: increasing acyl chain order and bilayer thickness, reducing volume-per-lipid, and decreasing lateral diffusion of molecules. More significantly, DAG also produces a strong "condensing effect" in PC bilayers. In comparison, cholesterol is more effective than DAG in producing the above effects. The driving force for the condensing effect is their molecular shape: DAG and cholesterol both have small polar headgroups and large hydrophobic bodies. In a lipid bilayer, in order to avoid the unfavorable exposure of their hydrophobic parts to water, neighboring phospholipid headgroups move toward cholesterol or DAG to provide cover. Thus, seemingly complex interactions between DAG, cholesterol and phospholipid can be clearly explained using the Umbrella Model. Our simulations confirmed the hypothesis that DAG increases the spacing between phospholipid headgroups, which is important for activating protein kinase C and other enzymes. Interestingly, our simulations also show that the conventional wisdom that the spacing created by a DAG is directly above the DAG molecule is incorrect; instead, the largest spacing usually occurs between the first and the second nearest-neighbor PC headgroups from a DAG, due to the umbrella effect. 相似文献
132.
133.
Hamideh Sharifi Noghabi Gholam Hossein Rounaghi Mohammad Hossein ArbabZavar Javad Ebrahimi 《Russian Journal of General Chemistry》2014,84(7):1429-1433
We report on conductometric study of complexation between benzylbisthiosemicarbazone [(2E,2′E)-2,2′-(1,2-diphenylethane-1,2-diylidene)bis(hydrazine-1-carbothioamide)] with Zn2+, Cr3+, Co2+, and Ni2+ cations at different temperatures in acetonitrile-dimethylformamide binary solvents of varied composition. The equilibrium constant and standard thermodynamic parameters (Δc H 0 and Δc S 0) of the complexes formation have been determined and found to be dependent on the binary solvent composition, the metal ion nature, and temperature. 相似文献
134.
A solvent-controlled four-component reaction has been described for the preparation of either hydroxy-tetrahydro-thiaza-cyclopenta[c]fluoren-6-one or dihydro-thiaza-cyclopenta[c]fluoren-6-one from nitroketene dithioacetals, cysteamine hydrochloride, 1,3-indandione and aromatic aldehydes starting materials by changing solvent systems. These reactions proceed under catalyst-free conditions affording a range of two types of skeletally distinct thiazolo[3,2-a]pyridines-based heterocycles. Hydroxy-tetrahydro-thiaza-cyclopenta[c]fluoren-6-one was obtained in H2O/EtOH (3:1, v/v) in high yield and diastereoselectivity but in contrast dihydro-thiaza-cyclopenta[c]fluoren-6-one was synthesised in EtOH in moderate to good yields and in the longer reaction time. The structural diversities have been confirmed spectroscopically, by IR 1H and 13C NMR, and EI-MS spectra, which agree with the proposed structures. 相似文献
135.
Mohammad Ali Amrollahi Zohreh Kheilkordi 《Journal of the Iranian Chemical Society》2016,13(5):925-929
A convenient and direct approach has been developed for the preparation of bis(indole) derivatives by one-pot four-component condensing of indole, aldehydes and active methylene compounds in the presence of 12-tungstophosphoric acid in aqueous media under silent and ultrasound methods. The remarkable advantages are the simplicity of the experimental procedures, short reaction times and high yields with the green aspects by avoiding toxic catalysts and solvents. 相似文献
136.
Alizadeh Kaklar Zahra Ansari Mohammad Reza 《Journal of Thermal Analysis and Calorimetry》2019,135(3):1881-1890
Journal of Thermal Analysis and Calorimetry - Two-phase flow was simulated within the effervescent atomizer by the volume of fluid interface tracing model. Different gas-to-liquid mass ratios... 相似文献
137.
Mohammad Reza Kashefi Alasl Mahmoud Reza Sohrabi Mehran Davallo 《Journal of separation science》2019,42(9):1777-1785
In this work, a fast and simple magnetic dispersive solid phase extraction methodology was developed utilizing Ag@magnetite nanoparticles@graphene nanocomposite as an efficient magnetic nanosorbent for preconcentration and determine of five aromatic amines in water samples. The sorbent was characterized by diverse characterization techniques. After the extraction, high‐performance liquid chromatography with UV detection was utilized to analysis the aromatic amines. The effects of different factors on the extraction process were studied thoroughly via design of experiment and desirability function. Detection limits and linear dynamic ranges were obtained in the range of 0.10–0.20 and 0.3–300 μg/L, respectively. The relative standard deviations (n = 5) were in the range of 4.3–6.5%. Eventually, the method was employed for determination of target aromatic amines in various water samples. 相似文献
138.
Shadpour Mallakpour Mohammad Dinari 《Journal of Thermal Analysis and Calorimetry》2013,114(1):329-337
Considering the importance of the nanocomposites, the present work focuses on some new hybrid materials prepared by introducing reactive organoclay (OC) into the chiral poly(amide-imide) (PAI) matrix. At first, Cloisite Na+ was modified with protonated l-isoleucine amino acid. Then, PAI containing phenylalanine was synthesized via solution polycondensation of chiral diacid chloride with 4,4′-diaminodiphenylsulfone and was characterized with Fourier transform infrared (FTIR) and 1H NMR techniques. At last, PAI/OC nanocomposite films containing 2, 5, 10, and 15 % of OC were prepared via solution intercalation method. The effect of OC dispersion and the interaction between OC and polymer chains on the properties of nanocomposites were investigated using FTIR, X-ray diffraction, field emission scanning electron microscopy, transmission electron microscopy, tensile testing of thin films, and thermogravimetry analysis techniques. The thermal stability of hybrids such as the decomposition temperature and mass residue at 800 °C was improved. Mechanical data indicated improvement in the tensile strength of the nanocomposites with OC loading up to 10 wt%. The transparency of the hybrid films was investigated by means of UV–Vis spectra. 相似文献
139.
Mohammad Hossein Habibi Amir Hossein Habibi 《Journal of Thermal Analysis and Calorimetry》2013,113(2):843-847
Zinc ferrite nanocomposite was synthesized via thermal decomposition of zinc acetate and iron nitrate at three different temperatures (350, 450, and 550 °C). The influence of the thermal decomposition of precursors on the formation zinc ferrites was studied by differential thermal gravimetry and thermogravimetry (TG). The TG curve shows two steps for the thermal decomposition with mass loss of 17.3 % at 78 °C and 63.3 % at 315 °C. The prepared zinc ferrites nanocomposite was characterized by X-ray diffraction and scanning electron microscopy. The X-ray diffractograms of ZnFe2O4 shows that a crystalline phase, spinel system is formed. SEM micrograph of the zinc ferrite nanocomposite indicates the formation of uniformly spherical 48-nm nanograins. The properties of the zinc ferrite phase were strongly dependent on their calcinations temperature and molar ratio of precursors. 相似文献
140.
Mohammad Yazdanbakhsh Nahid Lotfian Haman Tavakkoli Roland Boese 《Central European Journal of Chemistry》2011,9(4):585-589
A novel oxo-centered trinuclear mixed-metal carboxylate complex with unsaturated bridging ligands [Fe2Cr(μ3-O)(C3H3O2)6(H2O)3]·NO3·4H2O has been synthesized and characterized by means of Elemental analyses, Infrared spectroscopy and Crystal structure analysis.
The compound crystallizes isotypically in the monoclinic space group type P21/c. In the compound, each M(III) cation is coordinated by six O atoms from four unsaturated carboxylate groups as bridging ligands, one water molecule as
the terminal ligand, and a μ3-oxygen atom in the center of an equilateral triangle. The infrared spectra show resolved bands arising from νasym(COO) and νsym(COO) vibration of bridging carboxylate ligands along with those of νasym(M2M′O) vibration in the complex. The difference between symmetrical and asymmetrical (COO) ligands indicate that the acrylate
bridge is present in the structure of complex.
相似文献