Kinematically exact curved and twisted strain-based beam

The paper presents a formulation of the geometrically exact three-dimensional beam theory where the shape functions of three-dimensional rotations are obtained from strains by the analytical solution of kinematic equations. In general it is very demanding to obtain rotations from known rotational strains. In the paper we limit our studies to the constant strain field along the element. The relation between the total three-dimensional rotations and the rotational strains is complicated even when a constant strain field is assumed. The analytical solution for the rotation matrix is for constant rotational strains expressed by the matrix exponential. Despite the analytical relationship between rotations and rotational strains, the governing equations of the beam are in general too demanding to be solved analytically. A finite-element strain-based formulation is presented in which numerical integration in governing equations and their variations is completely omitted and replaced by analytical integrals. Some interesting connections between quantities and non-linear expressions of the beam are revealed. These relations can also serve as useful guidelines in the development of new finite elements, especially in the choice of suitable shape functions.     

Novel matrix invariants for characterization of changes of proteomics maps

Previous studies on mathematical characterization of proteomics maps by sets of map invariants were based on the construction of a set of distance-related matrices obtained by matrix multiplication of a single matrix by itself. Here we consider an alternative characterization of proteomics maps based on a set of matrices characterizing local features of an embedded zigzag curve over the map. It is shown that novel invariants can well characterize proteomics maps. Advantages of the novel approach are discussed.     

Spectra–structure relationships in carbon-13 nuclear magnetic resonance spectroscopy. Results from a large data base

A link between a substructure searching system and a ¹³C NMR data base has been established and permits the retrieval and examination of the chemical shifts associated with specific substructures. The means by which these searches are accomplished is described and the results from the searches are presented and discussed. The system is interactive, and can be used to locate in the data base the chemical shifts of carbon atoms in precisely defined environments. Alternatively, it may be used to learn the range of the chemical shifts possessed by particular types of carbon atoms, such as N-methyl or O-methyl carbons.     

Anisotropy of the self-diffusion tensor in nematic MBBA

The temperature dependence of the anisotropy of the self-diffusion constant tensor in nematic DMBBA was determined by a multiple pulse NMR spin echo technique. The measured anisotropy $\text{D}{}_6\text{D⊥}\text{= 1.4}$ in the partially ordered nematic system was related to the anisotropy $\text{D}{}_{\mathrm{O}}\text{6}\text{D}{}^{\mathrm{O}}\text{⊥}\text{= 2.2}$ in the perfectly ordered system.     

Differential cross-sections for π−p → γn in the first resonance region

Differential cross-sections for negative pion radiative capture on protons at c.m. angles of 60°, 90°, and 120° have been measured at nine incident laboratory energies between 110 and 270 MeV. Comparison with measured cross-sections for pion photoproduction and with conventional multipole analyses shows neither evidence for a violation of time reversal invariance nor for an isotensor component of the electromagnetic current of hardrons.     

Solvent-free iodination of organic molecules using the I(2)/urea-H(2)O(2) reagent system

Introduction of iodine under solvent-free conditions into several aromatic compounds activated toward electrophilic functionalization was found to proceed efficiently using elemental iodine in the presence of a solid oxidizer, the urea-H(2)O(2) (UHP) adduct. Two types of iodo-functionalization through an electrophilic process were observed: iodination of an aromatic ring, and side-chain iodo-functionalization in the case of arylalkyl ketones. Two reaction routes were established based on the required substrate : iodine : oxidizer ratio for the most efficient iodo-transformation, and the role of UHP was elucidated in each route. The first, requiring a 1 : 0.5 : 0.6 stoichiometric ratio of substrate to iodine to UHP, followed the atom economy concept in regard to iodine and was valid in the case of aniline, 4-t-Bu-phenol, 1,2-dimethoxy benzene, 1,3-dimethoxy benzene, 1,2,3-trimethoxy benzene, 1,2,4-trimethoxy benzene, 1,3,5-trimethoxy benzene, 1-indanone and 1-tetralone. The second reaction route, where a 1 : 1 : 1 stoichiometric ratio of substrate : I(2) : UHP was needed for efficient iodination, was suitable for side-chain iodo-functionalization of acetophenone and methoxy-substituted acetophenones. Moreover, addition of iodine to 1-octene and some phenylacetylenic derivatives was found to proceed efficiently without the presence of any oxidizer and solvent at room temperature.     

Profiling the tuneable R-SMS-Phos structure in the rhodium(I)-catalyzed hydrogenation of olefins: the last stand?

A diversified family of enantiopure P-stereogenic "R-SMS-Phos" {R-SMS-Phos = 1,2-bis[(o-RO-phenyl)(phenyl)phosphino]ethane} ligands wherein R = branched or heteroatom-substituted alkyl, aralkyl, silyl, acyl, sulfonyl, etc. was screened for the Rh(I)-catalyzed hydrogenation of a representative set of olefinic substrates. This systematic and detailed investigation revealed a marked beneficial impact on enantioselectivity and catalyst activity in comparison to Knowles' ultimate DiPAMP {DiPAMP = 1,2-bis[(o-anisyl)(phenyl)phosphino]ethane} design. Mutant ligands with highly enhanced properties possessing particular features wherein the DiPAMP structure is found embedded were identified.     

Alkylphenyl Substituted Naphthodithiophene: A New Building Unit with Conjugated Side Chains for Semiconducting Materials

In this article, a versatile 2‐D conjugated polymer, PNDTP‐DPP, containing alkylphenyl substituted naphthodithiophene is synthesized and characterized. PNDTP‐DPP exhibits good solubility and crystallinity with a π−π stacking distance of ≈3.7 Å. Investigation of polymer solar cells (PSCs) and organic field‐effect transistors (OFET) demonstrates a promising power conversion efficiency (PCE) of 4.11% and a high hole mobility of up to 0.86 cm² V^–1 s^–1, so this is one of the few examples of versatile polymers that show both good field‐effect mobility and PCE.

     

A novel synergistic formulation between a cationic surfactant from lysine and hyaluronic acid as an antimicrobial coating for advanced cellulose materials

In this investigation, a novel coating for viscose fabric surface modification was developed using a synergistic formulation between a natural antimicrobial cationic surfactant from lysine (MKM) and a biopolymer hyaluronic acid (HA). The interaction between MKM and HA in aqueous solutions, as well as the interactions between their synergistic formulation (HA-MKM) and viscose fabric (CV) were studied using pH-potentiometric titrations’, turbidity measurements, the Kjeldahl method for the determination of nitrogen amounts, attenuated total reflectance fourier transform infrared spectroscopy, and scanning electron microscopy. The hydrophilic and antimicrobial properties of the functionalised CV were examined in order to evaluate its usages for medical applications. The results of the interaction studies showed that MKM and HA interact with each other by forming a precipitate when the binding sites of HA are saturated. The precipitate has a slightly positive charge at neutral pH due to excess binding of the MKM to HA. The excess positive charge was also detected on CV coated with HA-MKM. This was proven to be very beneficial for the antimicrobial properties of the functionalised CV. The antimicrobial tests showed exceptional antimicrobial activity of the functionalised CV against Escherichia Coli, Staphylococcus Aureus, Streptococcus Agalactiae, Candida Albicans, and Candida Glabrata, making the CV fabric highly interesting for potential use in medicine.