Search results for " function"
showing 10 items of 9395 documents
L-karnitīna biosintēzes inhibitora mildronāta neirotropo efektu pētījumi eksperimentālajos modeļos
2014
Elektroniskā versija nesatur pielikumus
Reversible self-assembly of metal chalcogenide/metal oxide nanostructures based on Pearson hardness.
2010
Nanotechnology has reached a stage of development where not individual nanoparticles but rather systems of greater complexity are the focus of concern. These complex structures incorporate two or more types of materials, an example of which is the formation of metal–semiconductor hybrids, which effectively combine the properties of both materials. The assembly of multicomponent nanoparticles from constituents with different optical, electrical, magnetic, and chemical properties can lead to novel functionalities that are independent of the individual components and may be tailored to fit a specific application. These applications include such far-reaching challenges as solar energy conversio…
Basic Mechanisms of Diffusive and Diffusion-Related Oxygen Transport in Biological Systems: A Review
1992
In mammals, energy metabolism of active tissues requires permanent availability of oxygen. Because cessation of O 2 supply results in loss of organ function within seconds or minutes, continual feed of adequate amounts of O 2 to tissue is the most vital task for living organisms. For many years, it therefore has been one of the greatest challenges to physiologists to understand the mechanisms provided by nature to satisfy this need for oxygen.
Recent Developments in the Chiral Brønsted Acid-catalyzed Allylboration Reaction with Polyfunctionalized Substrates
2016
Asymmetric allylboration has played a central role in organic synthesis ever since the pioneering work by Hoffman and Brown, having found applications in the total synthesis of many natural products. A new dawn for this 40 year-old reaction occurred with the beginning of the new century when the first catalytic asymmetric methods came into play. In less than one decade, several methodologies, able to achieve the desired homoallylic alcohols with ee ranges in the high 90s, were developed. Among them, in the present account, we will disclose our contribution to the development of the chiral binolphosphoric-derived BrOnsted acid-catalyzed allylboration of aldehydes originally reported by Antil…
Lithium Cation-Catalyzed Benzene Diels-Alder Reaction: Insights on the Molecular Mechanism Within the Molecular Electron Density Theory.
2020
The lithium cation Li+-catalyzed Diels-Alder (DA) reactions of benzene toward a series of acetylenes of improved nucleophilicity can be described within the context of the molecular electron density theory (MEDT) at the ωB97XD/6-311G(d,p) level. Conceptual density functional theory indices characterize the crown ether solvated complex benzene-lithium Bz-Li-Cro as a superelectrophile. Coordination of a lithium cation to benzene does not change substantially the electron localization function electronic structure of benzene. The DA reaction of Bz-Li-Cro with acetylene shows a reduction of the energy of activation of 6.9 kcal·mol-1, which is not sufficient for the reaction to take place, thus …
Theoretical Studies of the Reactivity of Cyclopentadienyl Nitrosyl Alkyl Species of Molybdenum and Tungsten
2000
International audience; The reactivity differences observed experimentally for Cp*W(NO)(CH2CMe3)2 and CpMo(NO)(CH2CMe3)2 have been investigated using density functional theory (DFT) techniques. The reactions of the CpW(NO)(CH2) model complex with NH3 and CH4 are more exothermic and have lower activation barriers than the corresponding processes for CpMo(NO)(CH2). The η2(C,H) methane complex CpM(NO)(CH2)(CH4) (M = Mo, W) can undergo two competitive processes: C−H activation to afford CpM(NO)(CH3)2 or loss of methane. The relative barrier heights are almost identical for M = W, whereas the formation of CpM(NO)(CH3)2 is significantly disfavored for M = Mo. The activation of C−H and N−H bonds …
Tri- and tetranuclear heteropivalate complexes with core {Fe2Ni O} (x = 1, 2): Synthesis, structure, magnetic and thermal properties
2019
Abstract The reactions of complex [Fe2Ni(O)(Piv)6(Et2O)(H2O)2] (1) with 1,10-phenanthroline (phen) and 2,2′-bipyridine (bpy) gave the following new coordination compounds: the trinuclear complex [Fe2Ni(O)(Piv)6(phen)H2O]·(C2H5)2O (2), the tetranuclear ones [Fe2Ni2(OH)2(Piv)8(phen)2] (3) and [Fe2Ni2(OH)2(Piv)8(bpy)2] (4), depending on the crystallization conditions. According to single crystal X-ray diffraction data, all the compounds have molecular structures. The Mossbauer spectra of 1–3 correspond to high-spin Fe3+ ions in an octahedral environment consisting of oxygen atoms. The DC magnetic susceptibility studies and quantum-chemical analysis of intra- and intermolecular J pathways using…
Introduction: Protein Oligomerization and the Formation of Macromolecular Assemblies
2019
The ability of biomolecules to link together to form higher order assemblies underlies much of cellular structure and function. Here we emphasise protein oligomerisation and discuss some of the principles of molecular interaction, from early considerations through to the present day. A few protein examples are presented, selected from our research interests, to highlight assembly features, ranging from the hemoglobins, the hemocyanins to the peroxiredoxins, collagen, the encapsulins and ferritins.
C2-Symmetric Ferrocene-Bis(ureido)peptides : Synthesis, Conformation and Solid-State Structure
2009
The extension of peptide derivatives of ferrocene-1,1'-dicarboxylic acid by formal insertion of NH units between ferrocene and peptide strands results in ferrocene-bis(ureido)-peptides. Experimentally, alanine and dialanine methyl esters were attached to the 1- and 1'-position of 1,1'-diiso-cyanoferrocene to give the corresponding bis(ureido)peptide derivatives 3 and 4. The conformation of 3 has been determined in the solid state by X-ray crystallography. In solution the preferred conformation of 3 and 4 has been elucidated by NMR, IR and CD spectroscopy in concert with DFT calculations. The secondary structure of ferrocene―bis(ureido)peptides 3 and 4 is determined by double bifurcated intr…