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991.
Gram-negative bacterium Neisseria meningitidis, responsible for human infectious disease meningitis, acquires the iron (Fe3+) ion needed for its survival from human transferrin protein (hTf). For this transport, transferrin binding proteins TbpA and TbpB are facilitated by the bacterium. The transfer cannot occur without TbpA, while the absence of TbpB only slows down the transfer. Thus, understanding the TbpA-hTf binding at the atomic level is crucial for the fight against bacterial meningitis infections. In this study, atomistic level of mechanism for TbpA-hTf binding is elucidated through 100 ns long all-atom classical MD simulations on free (uncomplexed) TbpA. TbpA protein underwent conformational change from ‘open’ state to ‘closed’ state, where two loop domains, loops 5 and 8, were very close to each other. This state clearly cannot accommodate hTf in the cleft between these two loops. Moreover, the helix finger domain, which might play a critical role in Fe3+ ion uptake, also shifted downwards leading to unfavorable Tbp-hTf binding. Results of this study indicated that TbpA must switch between ‘closed’ state to ‘open’ state, where loops 5 and 8 are far from each other creating a cleft for hTf binding. The atomistic level of understanding to conformational switch is crucial for TbpA-hTf complex inhibition strategies. Drug candidates can be designed to prevent this conformational switch, keeping TbpA locked in ‘closed’ state. 相似文献
992.
Juste Baranauskaite Mehmet Ali Ockun Burcu Uner Cetin Tas Liudas Ivanauskas 《Molecules (Basel, Switzerland)》2021,26(20)
Essential oils have a high volatility that leads to evaporation and loss of their pharmacological effect when exposed to the environment. The objectives of the present work were to prepare microcapsules with oregano essential oil by extrusion using sodium alginate as a shell material and non-ionic surfactant polysorbate 80 as an emulsifier to stabilize the emulsion. The present study was aimed to evaluate the physical parameters of microcapsules and to compare the influence of the amount of emulsifier and the essential oil-to-emulsifier ratio on the capsules’ physical parameters and encapsulation efficiency; to our knowledge, the existing research had not yet revealed whether unstable emulsion affects the encapsulation efficiency of oregano essential oil. This study showed that increasing the emulsifier amount in the formulation significantly influenced encapsulation efficiency and particle size. Moreover, increasing the emulsion stability positively influenced the encapsulation efficiency. The emulsion creaming index depended on the emulsifier amount in the formulation: the highest creaming index (%) was obtained with the highest amount of polysorbate 80. However, the essential oil-to-polysorbate 80 ratio and essential oil amount did not affect the hardness of the microcapsules (p > 0.05). In conclusion, the obtained results could be promising information for production of microcapsules. Despite the fact that microencapsulation of essential oils is a promising and extremely attractive application area for the pharmaceutical industry, further basic research needs to be carried out. 相似文献
993.
Mehmet Somer Wilder Carrillo‐Cabrera Karl Peters Hans Georg von Schnering 《无机化学与普通化学杂志》2000,626(4):897-904
Synthesis, Crystal Structure, and Vibrational Spectra of Compounds with the Linear Dipnictidoborate (3–) Anions [P–B–P]3–, [As–B–As]3–, and [P–B–As]3– The alkali metal boron compounds M3[BX2] with X = P, As are synthesized from the alkali metals M and the binary components MX or M4X6 and BX in sealed steel ampoules (phosphides) or niobium ampoules (arsenides) at 1000 K. The compounds are obtained as bright yellow prisms (M3[BP2]) or plates (K2Na[BP2]) and yellow‐red prismatic crystals (M3[BAs2], Cs3[BPAs]) which are very sensitive against oxidation and hydrolysis. Three different structure types are formed, namely K2Na[BP2] (C2/m (No. 12); Z = 4; a new mC24 structure type); Na3[BP2] (P21/c (No. 14); Z = 4, β‐Li3[BN2] type), M3[BX2] with M = K, Rb, Cs and X = P, As and Cs3[P–B–As] (C2/c, (No. 15); Z = 4, K3[BP2] type). The bond lengths of the linear [BX2]3– anions are hardly changed and correspond to a Pauling bond order PBO = 1.9 (d(B–P) = 176.7–177.1 pm; d(B–As) = 186.5–188.0 pm). The vibrational spectra confirm the existence of unmixed and mixed units [P–B–P]3–, [As–B–As]3– and [P–B–As]3– with D∞h and C∞v symmetry, respectively. The valence force constants f(B–X) and the corresponding Siebert bond orders, calculated from the frequencies, are discussed and compared with those of the isoelectronic anions and molecules. 相似文献
994.
Cellulose - The pressure retarded osmosis (PRO) process requires high performance, high flux, high rejection, and resistant membranes under harsh conditions. Since conventional phase-inversion... 相似文献
995.
996.
Sean W. Ewart Thomas W. Karjala Mehmet Demirors 《Journal of polymer science. Part A, Polymer chemistry》2017,55(5):861-866
The use of post‐metallocene bis‐phenylphenoxy catalysts to polymerize ethylene under high ethylene pressures (>25,000 psi) results in some remarkable catalytic properties. The high ethylene pressure produces molar ethylene concentrations in the reactor as much as 40 times higher than in typical low pressure ethylene polymerizations. This high ethylene concentration results in high catalyst efficiency at high temperatures and low reactor residence time, between 180 °C and 240 °C the catalyst efficiency surprisingly increases with increasing temperature, allowing for use of these catalysts at temperatures much higher than can be utilized in the low pressure processes. It has further been demonstrated that under these conditions increasing hydrogen levels up to 0.5 mol% does not significantly affect the polymer molecular weight; however, polymer molecular weight control can be realized with varying reactor temperature. The polymer produced is shown to be high density polyethylene made from a single site catalyst and not free radical initiated low density polymer. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017 , 55, 861–866 相似文献
997.
Preparation of fluorinated methacrylate/clay nanocomposite via in‐situ polymerization: Characterization,structure, and properties 下载免费PDF全文
Mohamed Karamane Mustapha Raihane Mehmet Atilla Tasdelen Tamer Uyar Mohamed Lahcini Mohamed Ilsouk Yusuf Yagci 《Journal of polymer science. Part A, Polymer chemistry》2017,55(3):411-418
Novel fluorinated coating containing well‐dispersed silicate nanolayers is successfully produced via in‐situ free radical polymerization of 2,2,2‐trifluoroethyl methacrylate in the presence of vinylbenzyl‐functionalized montmorillonite with different loading. The organic modification of sodium montmorillonite is achieved through an ion exchange reaction with triphenylvinylbenzylphosphonium chloride as surfactant prepared before use by reaction with vinylbenyl chloride and phosphine. The following in‐situ polymerization in the presence of organomodified clay leads to fluorinated nanocomposites with of partially exfoliated and intercalated morphologies, as determined via XRD and TEM analysis. The nanoscale dispersion of clay layers is also evidenced by thermal analysis; a moderate decrease of the glass transition temperature about 2–8 °C compared to their virgin PMATRIF and an improvement of their thermal stability as evidenced by TGA. The wettability of the nanocomposite films is also studied by contact angle measurements with water. The incorporation of organomodified clays not only increases the hydrophobicity of the fluorinated polymers but also improves the surface properties of obtained nanocomposites. Compared the virgin homopolymer, the mechanical properties of the nanocomposites are reduced by addition of organomodifed clay at temperature from 30 to 60 °C, whereas this trend is gradually decreased at higher temperature. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017 , 55, 411–418 相似文献
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