Johannessenjoensen1172

Due to the inherent geometrical interdependencies of nucleic acid structures, the ability to engineer biosensors that rely on the specific interactions of these compounds is of considerable importance. Additionally, sensing or screening in a label-free fashion is a capability of these structures that can be readily achieved by exploiting the fluorescent component. In this work, the [AdH]6[V10O28].4(H2O) (1) supramolecular structure is introduced using adenine and decavanadate moieties that allow probing of selectivity to specific nucleic acid binding events by optical changes. The structure of (1) is an alternating organic-inorganic hybrid architecture of cationic adeninium (AdH+) ribbons and anionic decavanadate (DV)-water sheets. The luminescent screening and anticancer activity of compound (1) on the two human mammary carcinoma cell lines MDA-MB-231 and MCF7 were investigated using fluorescent microscopy and MTT assays, respectively. It was found that compound (1) is cell permeable with no toxicity below 12.5 µM concentration and moderate cytotoxicity at concentrations as high as 200 µM in human breast cancer cell lines, making it a useful tool to study the cell nucleus in real time.Composite crystals SrxLi2+xAl2-xO4Eu2+ were synthesized and their structures were determined using single-crystal X-ray diffraction. The commensurate structure with a modulation wavevector q = 5c*/6 was analyzed in a conventional manner in 3D space, while a structure model in (3+1)-dimensional superspace was used for the other two crystals with modulation wavevectors slightly differing from 5c*/6. The superstructure of the commensurate phase was described using the space group P4/n and a common superspace group I4/m(00γ)00 was used for the (3+1)D structures of all three crystals. The whole structure of each crystal consists of two substructures. Basis vectors a and b are common, but c is different for the two substructures. The first substructure is a host framework constructed by (Li/Al)O4 tetrahedra sharing edges. A linear connection of cavities is seen to be channel-like, in which Sr ions locate as guest cations forming the second substructure. The crystal of q = 5c*/6 contains five Sr ions per six cavities in a channel. Sr ions are distributed at seven sites, some of which are partially occupied. Statistical disorder of local structure models for the location of Sr ions in the channel was assumed to explain the results. Such a partially disordered character was also seen in the incommensurate phases and properly embodied by a (3+1)D model containing an atomic domain of the Sr ion with occupational modulation. Plots of the occupation factor, interatomic distances and the bond valence sum at each metal site as functions of t (= x4 - q·r) are roughly identical in the three crystals, which are considered as members of the same series of composite crystals.In this work, a database containing thermochemical and structural information about 208 monotropic polymorphic forms has been created and analyzed. Most of the identified compounds (77 cases) have been found to have two polymorphs, 14 compounds have three forms and there are only three examples of systems with four polymorphs. The analysis of density distribution within the database has revealed that only 62 out of 114 metastable polymorphs (referred to as group I) obey the `density rule' proposed by Burger and Ramberger [(1979), Mikrochim. Acta, 72, 259-271], while the remaining 45% of the monotropic systems (group II) violate the rule. A number of physicochemical, structural and molecular descriptors have been used to find and highlight the differences between group I and group II of the polymorphs. Group II is characterized (on average) by higher values of descriptors, which are responsible for conformational flexibility of molecules. An algorithm has been proposed for carrying out bivariate statistical analysis. It implies partitioning the database into structurally related clusters based on Tanimoto similarity coefficients and subsequent analysis of each cluster in terms of the number of hydrogen bonds per molecule.Benzocaine (BZC), an efficient and highly permeable anaesthetic and an active pharmaceutical ingredient of many commercially available drugs, was studied under high pressure up to 0.78 GPa. As a result, new BZC polymorph (IV) was discovered. The crystallization of polymorph (IV) can be initiated by heating crystals of polymorph (I) at a pressure of at least 0.45 GPa or by their compression to 0.60 GPa. However, no phase transition from polymorph (I) to (IV) was observed. Although polymorph (IV) exhibits the same main aggregation motif as in previously reported BZC polymorphs (I)-(III), i.e. a hydrogen-bonded ribbon, its molecular packing and hydrogen-bonding pattern differ considerably. Propionyl-L-carnitine mouse The N-H...N hydrogen bonds joining parallel BZC ribbons in crystals at ambient pressure are eliminated in polymorph (IV), and BZC ribbons become positioned at an angle of about 80°. Unfortunately, crystals of polymorph (IV) were not preserved on pressure release, and depending on the decompression protocol they transformed into polymorph (II) or (I).A binary phase Ir8Cd41 in the Ir-Cd binary system and novel ternary phases in the Ir-Cd-Cu system have been synthesized from the constituent elements using high-temperature solid-state synthesis. The structure of previously reported Ir8Cd41 and newly found ternary phases in the Ir-Cd-Cu system have been characterized by single crystal X-ray diffraction and EDS analysis. The structural analysis reveals that Ir8Cd41 adopts V8Ga41-type structure and ternary Ir-Cd-Cu phases adopt two 2 × 2 × 2-superstructures of the γ-brass-related phase. The structures of ternary Ir-Cd-Cu phases are associated with structural disorder (vacancies as well as mixed site occupancies). The crystal structures of the ternary phases are viewed using layer description and cluster concept. The 2 × 2 × 2-superstructure of γ-brass-related phases in the Cu-poor region are not isostructural with the phases in the Cu-rich region, and they are consistent with the absence of a continuous phase region between two 2 × 2 × 2-superstructures of γ-brass-related phases.