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81.
Marián Slodička 《Applications of Mathematics》2003,48(1):49-66
In this paper, we consider a 2nd order semilinear parabolic initial boundary value problem (IBVP) on a bounded domain N, with nonstandard boundary conditions (BCs). More precisely, at some part of the boundary we impose a Neumann BC containing an unknown additive space-constant (t), accompanied with a nonlocal (integral) Dirichlet side condition.We design a numerical scheme for the approximation of a weak solution to the IBVP and derive error estimates for the approximation of the solution u and also of the unknown function . 相似文献
82.
Sharmaine B. Luk Adrien Métafiot Judith Morize Emmanuel Edeh Milan Marić 《Journal of polymer science. Part A, Polymer chemistry》2021,59(19):2140-2153
Ambient pressure chemical hydrogenation using p-toluene sulfonyl hydrazide (TSH) via thermal diimide formation (N2H2) permitted reduction of double bonds of poly(myrcene) (poly[Myr]) and poly(farnesene) (poly[Far]). Both pendent and backbone double bonds in poly(Myr) (Mn = 56 kg/mol) and poly(Far) (Mn = 62 kg/mol) synthesized by conventional free radical polymerization were hydrogenated to almost completion. Furthermore, TSH semi-batch addition efficiently hydrogenated double bonds, while avoiding undesired autohydrogenation of diimides that occurred in batch mode. Thermal stability improved for hydrogenated poly(Myr) and poly(Far), where temperature at 10% weight loss (T10%) increased from 188 to 404°C for poly(Myr) and from 310 to 379°C for poly(Far). Tgs of poly(Myr) and poly(Far) also increased by about 10–25°C, indicating increased stiffness after hydrogenation. Finally, viscosities of poly(Myr) and poly(Far) were also increased after hydrogenation, and a greater increase was observed for poly(Myr) (by two orders of magnitude from 102 to 104 Pa s) due to its Mn being much higher than its entanglement molecular weight. Poly(Far) viscosity only increased by 1.5 times after hydrogenation (~104 Pa s), comparable to the poly(Myr) after hydrogenation, suggesting unsaturated poly(Far) was more entangled than unsaturated poly(Myr) because of its longer side chains. 相似文献
83.
Utilization of carbohydrates by radiation processing 总被引:2,自引:0,他引:2
Upgrading and utilization of carbohydrates such as chitosan, sodium alginate, carrageenan, cellulose, pectin have been investigated for recycling these bio-resources and reducing the environmental pollution. These carbohydrates were easily degraded by irradiation and various kinds of biological activities such as anti-microbial activity, promotion of plant growth, suppression of heavy metal stress, phytoalexins induction, etc. were induced. On the other hand, some carbohydrate derivatives, carboxymethylcellulose and carboxymethylstarch, could be crosslinked under certain radiation condition and produce the biodegradable hydrogel for medical and agricultural use. 相似文献
84.
Kosuke Takeda Kazushi Fujimoto Noriyuki Yoshii Susumu Okazaki 《Journal of computational chemistry》2019,40(31):2722-2729
Molecular dynamics calculations of a mixed micelle composed of sodium dodecyl sulfate (SDS) and octaethylene glycol monododecyl ether (C12E8) were performed for six compositions (SDS/C12E8 = 100/0, 80/20, 60/40, 40/60, 20/80, and 0/100) to investigate the composition dependence of the mixed micelle structure and solubilization of cyclohexane, benzene, and phenol molecules by the micelle. The radial density distribution of the hydrophilic polyoxyethylene (POE) group of C12E8 as a function of distance from the micelle center is very sharp for micelles with high SDS content because the POE group captures a Na+ ion in solution and wraps around it to form a compact crown-ether-like complex. The hydrophobic dodecyl groups of SDS and C12E8 were separately distributed in the mixed micelle core. ΔG(r) evaluated for each solute showed that despite the structural changes of the micelle the binding strength of the solute molecules to the micelle did not change significantly. © 2019 Wiley Periodicals, Inc. 相似文献
85.
Immacolata Speciale Flaviana Di Lorenzo Valentina Gargiulo Gitte Erbs Mari‐Anne Newman Antonio Molinaro Cristina De Castro 《Angewandte Chemie (International ed. in English)》2020,59(16):6368-6374
The lipopolysaccharide (LPS) O‐antigen structure of the plant pathogen Rhizobium radiobacter strain TT9 and its possible role in a plant‐microbe interaction was investigated. The analyses disclosed the presence of two O‐antigens, named Poly1 and Poly2. The repetitive unit of Poly2 constitutes a 4‐α‐l ‐rhamnose linked to a 3‐α‐d ‐fucose residue. Surprisingly, Poly1 turned out to be a novel type of biopolymer in which the repeating unit is formed by a monosaccharide and an amino‐acid derivative, so that the polymer has alternating glycosidic and amidic bonds joining the two units: 4‐amino‐4‐deoxy‐3‐O‐methyl‐d ‐fucose and (2′R,3′R,4′S)‐N‐methyl‐3′,4′‐dihydroxy‐3′‐methyl‐5′‐oxoproline). Differently from the O‐antigens of LPSs from other pathogenic Gram‐negative bacteria, these two O‐antigens do not activate the oxidative burst, an early innate immune response in the model plant Arabidopsis thaliana, explaining at least in part the ability of this R. radiobacter strain to avoid host defenses during a plant infection process. 相似文献
86.
Kanna Adachi Tomoshi Yamada Hayate Ishizuka Mana Oki Shunsuke Tsunogae Noriko Shimada Osamu Chiba Tatsuya Orihara Prof. Dr. Masafumi Hidaka Prof. Dr. Takatsugu Hirokawa Dr. Minami Odagi Prof. Dr. Keiichi Konoki Prof. Dr. Mari Yotsu-Yamashita Prof. Dr. Kazuo Nagasawa 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(9):2025-2033
A novel series of C12-keto-type saxitoxin (STX) derivatives bearing an unusual nonhydrated form of the ketone at C12 has been synthesized, and their NaV-inhibitory activity has been evaluated in a cell-based assay as well as whole-cell patch-clamp recording. Among these compounds, 11-benzylidene STX ( 3 a ) showed potent inhibitory activity against neuroblastoma Neuro 2A in both cell-based and electrophysiological analyses, with EC50 and IC50 values of 8.5 and 30.7 nm , respectively. Interestingly, the compound showed potent inhibitory activity against tetrodotoxin-resistant subtype of NaV1.5, with an IC50 value of 94.1 nm . Derivatives 3 a – d and 3 f showed low recovery rates from NaV1.2 subtype (ca 45–79 %) compared to natural dcSTX ( 2 ), strongly suggesting an irreversible mode of interaction. We propose an interaction model for the C12-keto derivatives with NaV in which the enone moiety in the STX derivatives 3 works as Michael acceptor for the carboxylate of Asp1717. 相似文献
87.
Noriyuki Yoshii Yoshimichi Andoh Susumu Okazaki 《Journal of computational chemistry》2020,41(9):940-948
We derived a new expression for the electrostatic interaction of three-dimensional charge-neutral systems with two-dimensional periodic boundary conditions (slab geometry) using a fast multipole method (FMM). Contributions from all the image cells are expressed as a sum of real and reciprocal space terms, and a self-interaction term. The reciprocal space contribution consists of two parts: zero and nonzero terms of the absolute value of the reciprocal lattice vector. To test the new expressions, electrostatic interactions were calculated for a randomly placed charge distribution in a cubic box and liquid water produced by molecular dynamics calculation. The accuracy could be controlled by the degree of expansion of the FMM. In the present expression, the computational complexity of the electrostatic interaction of N-particle systems is order N, which is superior to that of the conventional two-dimensional periodic Ewald method for a slab geometry and the particle mesh Ewald method with a large empty space at an interface of the unit cell. © 2020 Wiley Periodicals, Inc. 相似文献
88.
Watanabe S Sonobe M Arai M Tazume Y Matsuo T Nakamura T Yoshida K 《Chemical communications (Cambridge, England)》2002,(23):2866-2867
A gold nanoparticle surface-modified with amide ligands shows enhanced optical sensing of anions: the detection limit is increased by about three orders of magnitude higher than that originally expected from the anion binding ability of neutral amide ligands. 相似文献
89.
90.
Catherine P. Raptopoulou Athanassios K. Boudalis Katerina N. Lazarou Vassilis Psycharis Nikos Panopoulos Michael Fardis George Diamantopoulos Jean-Pierre Tuchagues Alain Mari George Papavassiliou 《Polyhedron》2008,27(18):3575-3586
The use of salicylaldehyde oxime (H2salox) in manganese(III) carboxylate chemistry has yielded new members of the family of hexanuclear compounds presenting the [Mn6(μ3-O)2(μ2-OR)2]12+ core, complexes [MnIII6(μ3-O)2(O2CPh)2(salox)6(L1)2(L2)2] (L1 = py, L2 = H2O (1); L1 = Me2CO, L2 = H2O (2); L1 = L2 = MeOH (3)). Addition of NaOMe to the acetonitrile reaction mixture, afforded the 1D complex [MnIII3Na(μ3-O)(O2CPh)2(salox)3(MeCN)]n (4), whereas addition of NaClO4 to the acetone reaction mixture afforded an analogous 1D complex [MnIII3Na(μ3-O)(O2CPh)2(salox)3(Me2CO)]n (5). The structures of 1–3 present the [Mn6(μ3-O)2(μ2-OR)2]12+ core and can be described as two [Mn3(μ3-O)]7+ triangular subunits linked by two μ2-oximato oxygen atoms of the salox2− ligands, which show the less common μ3-κ2O:κO′:κN coordination mode. The benzoato ligands are coordinated through the usual syn,syn-μ2-κO:κO′ mode. The 1D polymeric structures of 4 and 5 consist of alternating [Mn3(μ3-O)]7+ subunits and Na+ atoms linked through two μ3-κ2O:κO′:κN and one μ4-κ2O:κ2O′:κN salox2− ligands as well as one syn,anti-μ2-κO:κO′ benzoato ligand. DC and AC magnetic susceptibility studies on 1 revealed the stabilization of an S = 4 ground state, and indications of single-molecule magnetism behavior, whereas the DC experimental data from polycrystalline sample of 5 are indicative of antiferromagnetic interactions within the [Mn3] subunit. Solid state 1H NMR data of 1 were used to probe the spin-lattice relaxation of the system. 相似文献