Materials Literature
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Introduction. The safety of vitamin K antagonists (VKA) use can be compromised by many popular herbal supplements taken by individuals. The literature reports that 30% of warfarin-treated patients self-medicates with herbs. Possible interactions represent an health risk. We aimed to identify all herbs-oral anticoagula…
We report a doxorubicin loaded chitosan biopolymer–ferromagnetic disks hybrid system capable of on-demand magnetomechanically induced release of drug molecules. Gold covered ferromagnetic disks were encapsulated into the polymer scaffold through the assembly of the thiolated chitosan on the disk's gold surface followe…
We report a new class of liquid crystalline system exhibiting columnar mesophases, which are constructed by the hierarchical supramolecular self-organization of a rod-like diacetylene derivative as the primary building block. A series of 1,3-alkadiynyl-4-benzoic acids (mmDA) with different alkyl chain lengths (m = 8–1…
Molecular level understanding of the mechanism of oxidative coupling of alcohols on metallic Au(111) activated by oxygen is achieved through a combination of experiments and theoretical calculations. The facility of the beta-H elimination of the alkoxys, which increases with the length of the alkyl chain, is identifie…
Thiol–alkyne chemistry is utilized to produce peptide-based A2B star polymers. This topography resembles a phospholipid where the polypeptide B block represents a functional, polar head group and the A blocks represent lipophilic units. We utilize a convergent, modular approach to produce lipid mimetics through conjug…
A systematic density functional study of the adsorption and dissociation of H(2) on the clean (001) surface of various transition metal carbides (TMCs; TM = Ti, Zr, V, Mo) and on Au(4) nanoclusters supported on these TMCs is presented. It is found that the H(2) dissociation on the bare clean TMCs strongly depends on t…
Cation non-stoichiometry is now recognised to have a significant influence on the electrical-transport properties of proton-conducting oxides. The effects of A-site-cation deficiency in the Sr1−xCe0.9Yb0.1O3−δ perovskite system with potential use in electrochemical devices are examined. Electron diffraction is used to…
Through first-principles calculations, we found doping carbon atoms onto BN monolayers (BNC) could significantly strengthen the Li bond on this material. Unlike the weak bond strength between Li atoms and the pristine BN layer, it is observed that Li atoms are strongly hybridized and donate their electrons to the dope…
Three novel equations were proposed to perform graphical model-free analysis of lanthanide-induced shifts in NMR spectra of axially symmetrical complexes within Bleaney's T(-2) expansion. Application and efficiency of these newly developed approaches were demonstrated on the example of heteroleptic triple-decker crown…
The solvothermal reactions of BiI(3), KI, I(2), 4,4'-bipyridine (4,4'-bipy), and a small amount of water in alcohol and acetonitrile produced four bipyridinium iodobismuthates {[MQ](3)[Bi(2)I(6)(μ-I)(3)][Bi(2)I(6)(μ-I)(2)(MQ)(2)](3)} (1, MQ(+) = N-methyl-4,4'-bipyridinium), {[EQ](3)[Bi(2)I(6)(μ-I)(3)][Bi(2)I(6)(μ-I)(2…
Mid-functionalized ABC triblock copolymers with a short central B block were synthesized via the RAFT process, and further used as well-defined V-shaped copolymers to graft onto graphene oxide by coupling reactions.
The ethylene epoxidation over Ag catalysts is one of the most important industrial processes converting several billion US dollars annually due to the importance of ethylene oxide (EO) as a versatile chemical intermediate. Despite the intensive application of this process, the reaction mechanism is still under debate…
In patchy particle systems where there is a competition between the self-assembly of finite clusters and liquid-vapor phase separation, re-entrant phase behavior can be observed, with the system passing from a monomeric vapor phase to a region of liquid-vapor phase coexistence and then to a vapor phase of clusters as…
Engineered nanoparticles (ENPs) are now being used in many sectors of industry; however, the impact of ENPs on the environment still requires further study, since their use, recycling, and accidental spill can result in the accumulation of nanoparticles in the atmosphere, soil, and water. Plants are an integral part o…
The magnetic properties of proposed all-carbon graphene-fullerene nanobuds have been investigated through spin-polarized density functional theory. Four structures (A, B, C and D) are proposed in terms of the geometry, and analysis of the formation of new chemical bonds in the nanobuds is conducted. Cases A and B poss…
Spider silk shows great potential as a biomaterial: in addition to biocompatibility and biodegradability, its strength and toughness are greater than native biological fibres (e.g. collagen), with toughness exceeding that of synthetic fibres (e.g. nylon). Although the ultimate tensile strength and toughness at failure…
In this joint experimental and theoretical work we present a novel type of structural transition occurring in the series of C(x)B(8-x)(-) (x=1-8) mixed clusters upon increase of the carbon content from x=2 to x=3. The wheel to ring transition is surprising because it is rather planar-to-linear type of transition to be…
Natural fibers are emerging in the fields of automobile and aerospace industries to replace the parts such as body panels, seats, and other parts subjected to higher bending strength. In the construction industries, they have the potential to replace the wood and oriented strand boards (OSB) laminates in the structura…
The bioactivity of natural, long-chain ceramides has until now been studied after its delivery to cells in organic solvent mixtures containing dodecane. We have synthesized ceramides conjugated to a (6-bromo-7-hydroxycoumarin-4-yl)methyl group. The photocaged ceramide is efficiently released with 350 nm light in aqueo…
Two enantiotropic polymorphs of a dumbbell shaped molecule possess similar packing arrangements, in principle, but one of the polymorphs shows anomalously anisotropic thermal expansion while the other does not.