Comparison of an antibody and its recombinant derivative for the detection of the small molecule explosive 2,4,6-trinitrotoluene

Antibodies are commonly used as recognition elements in immunoassays because of their high specificity and affinity, and have seen extensive use in competitive assays for the detection of small molecules. However, these complex molecules require production either in animals or by mammalian cell cultures, and are not easily tailored through genetic manipulation. Single chain antibodies (scFv), recombinantly expressed molecules consisting of only the antibody's binding region joined via a linking peptide, can provide an alternative to intact antibodies. We describe the characterization of a new monoclonal antibody (mAb), 2G5B5, able to detect the small molecule explosive 2,4,6-trinitrotoluene (TNT) and the scFv derived from its variable regions. The mAb and scFv were tested by surface plasmon resonance to determine their affinity for an immobilized TNT surrogate; dissociation constants were determined to be 1.5 × 10⁻¹³ M and 4.8 × 10⁻¹⁰ M respectively. Circular dichroism was used to determine their melting temperatures. The mAb is more stable melting at ∼75 °C while the scFv melts at ∼65 °C. The recognition elements were incorporated into a competitive assay format using a bead-based multiplexing platform to examine their sensitivity and specificity. The scFv was able to detect TNT ∼10-fold more sensitively than the mAb in this assay format, allowing detection of TNT concentrations down to at least 1 μg L⁻¹. The 2G5B gave similar detection limits to a commercial anti-TNT mAb, but was less specific, recognizing 1,3,5-trinitrobenzene (TNB) equally well as TNT.     

Shape parameter deletion for Pólya curves

We present a simple change of basis technique for transforming one type of Pólya curve to another closely related Pólya curve form. Repeated use of this method yields algorithms for transforming one arbitrary Pólya form to another, as well as algorithms for evaluating, subdividing, and differentiating Pólya curves. These procedures can be applied to almost all Pólya curves, including Bézier curves and Lagrange interpolating polynomials.     

A mixed‐valence chloride‐bridged (pincer)IrIII–(diene)IrI complex

The title compound, [2,6‐bis(di‐tert‐butylphosphino)phenyl‐1κ³P,C¹,P′]di‐μ‐chlorido‐1:2κ⁴Cl:Cl‐(2η⁴‐cycloocta‐2,5‐diene)hydrido‐1κH‐diiridium(I,III) hexane hemisolvate, [Ir₂(C₈H₁₂)(C₂₄H₄₃P₂)Cl₂H]·0.5C₆H₁₄ or [(^tBuPCP)IrH(μ₂‐Cl)₂Ir(COD)][^tBuPCP is κ³‐2,6‐(^tBu₂PCH₂)₂C₆H₃ and COD is η⁴‐2,5‐cyclooctadiene], is an Ir^III/Ir^I dimer bridged by two chloride ions. The Ir₂Cl₂ framework is nearly planar, with a dihedral angle of 13.04 (4)° between the two Ir centers. The compound was isolated as a hexane hemisolvate. A list of distances found in Ir(PCP) compounds is given.     

Complete characterization of the (D2O)2 ground state: high Ka rotation-tunneling levels

We report the observation of extensive a- and c-type rotation-tunneling (RT) spectra of (D2O)2 for Ka = 0-4. These data allow quantification of molecular constants and tunneling splittings for a number of previously unobserved RT states of (D2O)2. The vibrational ground state has thus been characterized to energies as high as those of some of the intermolecular vibrations, and we present the first test of the VRT(ASP-W) potential at these high Ka states.     

Quantitative analysis of backbone dynamics in a crystalline protein from nitrogen-15 spin-lattice relaxation

A detailed analysis of nitrogen-15 longitudinal relaxation times in microcrystalline proteins is presented. A theoretical model to quantitatively interpret relaxation times is developed in terms of motional amplitude and characteristic time scale. Different averaging schemes are examined in order to propose an analysis of relaxation curves that takes into account the specificity of MAS experiments. In particular, it is shown that magic angle spinning averages the relaxation rate experienced by a single spin over one rotor period, resulting in individual relaxation curves that are dependent on the orientation of their corresponding carousel with respect to the rotor axis. Powder averaging thus leads to a nonexponential behavior in the observed decay curves. We extract dynamic information from experimental decay curves, using a diffusion in a cone model. We apply this study to the analysis of spin-lattice relaxation rates of the microcrystalline protein Crh at two different fields and determine differential dynamic parameters for several residues in the protein.     

Nucleon internal structure: a new set of quark, gluon momentum, angular momentum operators and parton distribution functions

It is unavoidable to deal with the quark and gluon momentum and angular momentum contributions to the nucleon momentum and spin in the study of nucleon internal structure. However we never have the quark and gluon momentum, orbital angular momentum and gluon spin operators which satisfy both the gauge invariance and the canonical momentum and angular momentum commutation relation. The conflicts between the gauge invariance and canonical quantization requirement of these operators are discussed. A new set of quark and gluon momentum, orbital angular momentum and spin operators, which satisfy both the gauge invariance and canonical momentum and angular momentum commutation relation, are proposed. The key point to achieve such a proper decomposition is to separate the gauge field into the pure gauge and the gauge covariant parts. The same conflicts also exist in QED and quantum mechanics and have been solved in the same manner. The impacts of this new decomposition to the nucleon internal structure are discussed.     

Vortex imaging in Co-doped BaFe2As2

We review superconducting vortex imaging in Co-doped BaFe₂As₂ by Bitter decoration and small-angle neutron scattering (SANS). At all measured fields a highly disordered vortex configuration is observed, which is attributed to strong pinning. Further support of this conclusion comes from the absence of a Meissner rim in decoration images obtained close to the sample edge. The evolution of the SANS scattering vector with increasing applied field indicates vortex lattice domains of (distorted) hexagonal symmetry. This is consistent with the decoration images which show small, six fold coordinated ordered vortex domains. The SANS scattered intensity is found to decrease rapidly with increasing field, exceeding the rate expected from estimates of the upper critical field. This is consistent with the large degree of vortex “lattice” disorder.