Specificity of Furanoside–Protein Recognition through Antibody Engineering and Molecular Modeling

Recognition of furanosides (five‐membered ring sugars) by proteins plays important roles in host–pathogen interactions. In comparison to their six‐membered ring counterparts (pyranosides), detailed studies of the molecular motifs involved in the recognition of furanosides by proteins are scarce. Here the first in‐depth molecular characterization of a furanoside–protein interaction system, between an antibody (CS‐35) and cell wall polysaccharides of mycobacteria, including the organism responsible for tuberculosis is reported. The approach was centered on the generation of the single chain variable fragment of CS‐35 and a rational library of its mutants. Investigating the interaction from various aspects revealed the structural motifs that govern the interaction, as well as the relative contribution of molecular forces involved in the recognition. The specificity of the recognition was shown to originate mainly from multiple CH–π interactions and, to a lesser degree, hydrogen bonds formed in critical distances and geometries.     

Strong Direct Magnetic Coupling in a Dinuclear CoII Tetrazine Radical Single‐Molecule Magnet

The ligand‐centered radical complex [(CoTPMA)₂‐μ‐bmtz^.?](O₃SCF₃)₃ ? CH₃CN (bmtz=3,6‐bis(2′‐pyrimidyl)‐1,2,4,5‐tetrazine, TPMA=tris‐(2‐pyridylmethyl)amine) has been synthesized from the neutral bmtz precursor. Single‐crystal X‐ray diffraction studies have confirmed the presence of the ligand‐centered radical. The Co^II complex exhibits slow paramagnetic relaxation in an applied DC field with a barrier to spin reversal of 39 K. This behavior is a result of strong antiferromagnetic metal–radical coupling combined with positive axial and strong rhombic anisotropic contributions from the Co^II ions.     

The biaxial loading response of powder aluminum at elevated temperature

Nuclear fuel can be fabricated using powder-metallurgy processes by compacting uranium-oxide powder with aluminum powder to form a cermet and then extruding the cermet to form fuel tubes. This method of production allows greater control of uranium-oxide particle size and distribution in the tube, making the production of fuel with greater concentrations of uranium oxide possible, and thus decreasing the volume of radioactive waste remaining after the fuel is spent. As the concentration of uranium oxide increases, however, there is an increase in failures during extrusion. To address this problem, an experimental procedure was developed to examine the response of powder aluminum, a material with a structure similar to that of the cermet fuel, to biaxial loadings such as those experienced during extrusion. Biaxial loadings can be varied from pure shear to simple tension or compression, or to combinations of these loadings in a numerically controlled ‘tension-torsion’ testing machine. Data obtained using this system were used to develop a model for the post-yield behavior in extruded powder aluminum which includes information derived both from the macroscopic stress-strain behavior of 1100 aluminum and extruded powder aluminum and from the observed microscopic structure of the extruded powder aluminum. This paper describes the development of the experimental system and shows the different biaxial mechanical behavior of the two materials. Test fixtures were developed and software was written to control constant strain-rate tension, compression, torsion, combined tension-torsion, and combined compression-torsion tests performed using a computer-controlled MTS biaxial testing machine. Extruded powder aluminum and 1100 aluminum specimens were tested at 427°C, the powder-aluminum extrusion temperature, under those loading conditions. Each specimen was subjected to only one loading cycle. Data were recorded during loading only. Tested specimens were also sectioned and examined microscopically.     

Frequency and development of slugs in a horizontal pipe at large liquid flows

The generation of slugs was studied for air–water flow in horizontal 0.0763 m and 0.095 m pipes. The emphasis was on high liquid rates (u_LS ? 0.5 m/s) for which slugs are formed close to the entry and the time intervals between slugs are stochastic. A “fully developed” slug flow is defined as consisting of slugs with different sizes interspersed in a stratified flow with a height slightly larger than the height, h₀, needed for a slug to be stable. Properties of this “fully developed” pattern are discussed. A correlation for the frequency of slugging is suggested, which describes our data as well as the data from other laboratories for a wide range of conditions. The possibility is explored that there is a further increase of slug length beyond the “fully developed” condition because slugs slowly overtake one another.     

Comparison of model predictions with measured proton-induced production of nickel and iridium isotopes

Journal of Radioanalytical and Nuclear Chemistry - Calculations were performed to support method development for simultaneous production of Ni and Ir isotopes. The work scope included development...     

Development and evaluation of gas and liquid chromatographic methods for the analysis of fatty amines

In contrast to the plethora of publications on the separation of fatty acids, analogous studies involving fatty amines are scarce. A recently introduced ionic‐liquid‐based capillary column for GC was used to separate trifluoroacetylated fatty amines focusing on the analysis of a commercial sample. Using the ionic liquid column (isothermal mode at 200°C) it was possible to separate linear primary fatty amines from C₁₂ to C₂₂ chain length in less 25 min with MS identification. The log of the amine retention factors are linearly related to the alkyl chain length with a methylene selectivity of 0.117 kcal/mol for the saturated amines and 0.128 kcal/mol for the mono‐unsaturated amines. The sp² selectivity for unsaturated fatty amines also could be calculated as 0.107 kcal/mol for the ionic liquid column. The commercial sample was quantified by GC with flame ionization detection (FID). An LC method also was developed with a reversed phase gradient separation using acetonitrile/formate buffer mobile phases and ESI‐MS detection. Native amines could be detected and identified by their single ion monitoring chromatograms even when partial coelution was observed. The analysis of the commercial sample returned results coherent with those obtained by GC–FID and with the manufacturer's data.     

VEGFR-2 targeted cellular delivery of doxorubicin by gold nanoparticles for potential antiangiogenic therapy

We report a novel gold nanobioconjugate system that achieves targeted delivery of the small molecule drug doxorubicin to endothelial cells using anti-VEGFR-2 antibody conjugated gold nanoparticles (GNPs). The reported nanobioconjugate system combines the inherent ability of GNPs to undergo high levels of derivatization with the precision of antibody recognition of a cell surface antigen. Transmission electron microscopy (TEM) and surface-enhanced Raman spectroscopy (SERS) confirmed intracellular presence of the GNPs. Using a VEGFR-2 expressing cell line and a cell line that is negative for the receptor, in combination with competition assay we established the cell specific targeted delivery of the nanobioconjugate. The nanobioconjugate system described here may have potential drug delivery applications for antiangiogenic cancer therapy.     

Super‐ and Ferroelastic Organic Semiconductors for Ultraflexible Single‐Crystal Electronics

Like silicon, single crystals of organic semiconductors are pursued to attain intrinsic charge transport properties. However, they are intolerant to mechanical deformation, impeding their application in flexible electronic devices. Such contradictory properties, namely exceptional molecular ordering and mechanical flexibility, are unified in this work. We found that bis(triisopropylsilylethynyl)pentacene (TIPS‐P) crystals can undergo mechanically induced structural transitions to exhibit superelasticity and ferroelasticity. These properties arise from cooperative and correlated molecular displacements and rotations in response to mechanical stress. By utilizing a bending‐induced ferroelastic transition of TIPS‐P, flexible single‐crystal electronic devices were obtained that can tolerate strains (?) of more than 13 % while maintaining the charge carrier mobility of unstrained crystals (μ>0.7 μ₀). Our work will pave the way for high‐performance ultraflexible single‐crystal organic electronics for sensors, memories, and robotic applications.