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Such medium-range atomic ordering was sustained over a wide temperature range (from the phase transition temperature to over 800 K in the TEM) but gradually changed to short-range ordering as indicated by the appearance of diffuse scattering rings.Here, structural parameters of various structure reports on RSi2 and R2TSi3 compounds [where R is an alkaline earth metal, a rare earth metal (i.e. an element of the Sc group or a lathanide), or an actinide and T is a transition metal] are summarized. The parameters comprising composition, lattice parameters a and c, ratio c/a, formula unit per unit cell and structure type are tabulated. The relationships between the underlying structure types are presented within a group-subgroup scheme (Bärnighausen diagram). Additionally, unexpectedly missing compounds within the R2TSi3 compounds were examined with density functional theory and compounds that are promising candidates for synthesis are listed. Furthermore, a correlation was detected between the orthorhombic AlB2-like lattices of, for example, Ca2AgSi3 and the divalence of R and the monovalence of T. Finally, a potential tetragonal structure with ordered Si/T sites is proposed.Dinuclear CuII complexes with 3,5-dinitrobenzoates and 2,2'-bipyridine (2) or 1,10-phenanthroline (3) were synthesized and characterized. A complete energy framework analysis using the HF/3-21G energy model was performed which found that dispersion forces and C-H...O interactions are responsible for the crystal structure features. The magnetic properties of the complexes show a weak magnetic exchange between spins, resulting in low exchange constants of -2.72 (1) cm-1 and -1.10 (1) cm-1 for complexes (2) and (3), respectively. This results from the low overlap between magnetic orbitals induced by 3,5-dinitrobenzoate bridges and the arrangement of the magnetic orbitals. Consequently, the dinuclear complexes (2) and (3) behave as spin-isolated multinuclear CuII species in contrast to the trinuclear complex with similar ligands.Crystal morphology is a very important feature in many industrial applications. Tricyclic imides, derivatives of 10-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione with differing small hydrophobic groups (Me, Et), were studied and grouped based on Etter's rule. Using experimental X-ray studies, dimer energy calculations, framework analysis and periodic DFT-D calculations, it is shown that knowledge of the hydrogen-bond pattern can be used to determine the final crystal shape. Molecules forming a ring hydrogen-bond motif crystallize as plate crystals with the 100 facet as the slowest growing, whereas those molecules forming an infinite hydrogen-bond motif in the crystal structure crystallize as needles with the 101 facet having the largest surface area.Structural features of moderate-to-strong O-H...O hydrogen bonds are related to the frequencies of O-H stretching vibrations and to the electric polarizability distribution in the donor and acceptor functional groups for crystals synthesized from the 1,2,4,5-benzenetetracarboxylic (pyromellitic) acid, namely bis(3-aminopyridinium) dihydrogen pyromellitate tetrahydrate, (1); bis(3-carboxypyridinium) dihydrogen pyromellitate, (2); bis(3-carboxyphenylammonium) dihydrogen pyromellitate dihydrate, (3); and bis(4-carboxyphenylammonium) dihydrogen pyromellitate, (4). A combination of single-crystal X-ray diffraction, powder Raman spectroscopy and first-principle calculations in both crystalline and gaseous phases has shown that changes in the O-H...O hydrogen-bond geometry can be followed by changes in the corresponding spectral modes. selleck compound Vibrational properties of moderate hydrogen bonds can be estimated from correlations based on statistical analysis of several compounds [Novak (1974). Struct. Bond. 18, 177-216]. However, frequencies related to very short O-H...O bonds can only be predicted by relationships built from a subset of structurally similar systems. Moreover, the way in which hydrogen bonds affect the polarizability of donor and acceptor groups depends on their strength. Moderate interactions enhance the polarizability and make it more anisotropic. Shorter hydrogen bonds may decrease the polarizability of a group as a consequence of the volume restraint implied by the neighbour molecule within a hydrogen-bonded aggregate. This is significant for evaluation of the electric susceptibility in crystals and, therefore, for estimation of refractive indices and birefringence.
Work is valued as an important feature in life, however patients diagnosed with cancer can experience work-related problems. We developed a work-related support intervention to support those in need.
The objective of this study was to evaluate the feasibility of the performed tailored GIRONA (Gastro Intestinal cancer patients Receiving Occupational support Near and After diagnosis) intervention and to describe the experiences of those receiving the work-related support and of those providing it.
An online questionnaire was used to survey the feasibility of the intervention of the support recipients (patients diagnosed with gastrointestinal cancer) and the support providers (healthcare professionals including oncology nurses and oncological occupational physicians). Five themes were covered acceptability, demand, implementation, practicality and integration of Bowen's feasibility model.
Twenty-three patients, 14 oncology nurses and 4 oncological occupational physicians, shared their experiences about tpatients and healthcare professionals, but the tailored component could be further improved to better support those in need of work-related support.
The footwear manufacturing industry is one of the significant sectors of leather businesses in India. In the Indian footwear production industry, there is an enormous potential for employment, export, and development. Kolhapuri footwear is a popular handmade craft in India. It is a well-designed craft used by Indian people for many years. Artisans using traditional tools manufacture this footwear manually. Workers of this craft use traditional methods and work in cottage-based enterprises where organized laws and legislations are not applicable. Therefore, any occupational hazard-related documentation is not available. Due to the nature of the job, workers occupy various apparent non-optimal postures that may cause multiple work-related disorders such as musculoskeletal disorders (MSDs).
The main objective was to study and assess different footwear manufacturing workstations and working postures. The work further aimed to improve the design of current workstations and evaluate the proposed design using virtual ergonomic assessment techniques.
My Website: https://www.selleckchem.com/products/cbl0137-cbl-0137.html
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