Chemical images of marine bio-active compounds by surface enhanced Raman spectroscopy and transposed orthogonal partial least squares (T-OPLS)

Surface enhanced Raman spectroscopy combined with transposed Orthogonal Partial Least Squares (T-OPLS) was shown to produce chemical images of the natural antibacterial surface-active compound 1,1,3,3-tetrabromo-2-heptanone (TBH) on Bonnemaisonia hamifera. The use of gold colloids functionalised with the internal standard 4-mercapto-benzonitrile (MBN) made it possible to create images of the relative concentration of TBH over the surfaces. A gradient of TBH could be mapped over and in the close vicinity of the B. hamifera algal vesicles at the attomol/pixel level.     

A unique equilibrium efficient frontier with fixed-sum outputs in data envelopment analysis

Based on the equilibrium efficient frontier data envelopment analysis (EEFDEA) approach, Fang (J Oper Res Soc 67:412–420, 2015a) developed an equivalent linear programming model to improve and strengthen the EEFDEA approach. Furthermore, Fang (2015a) indicated that his secondary goal approach can achieve a unique equilibrium efficient frontier. However, through a simple counterexample we demonstrate that Fang’s secondary goal approach cannot always achieve uniqueness of the equilibrium efficient frontier. In this paper, we propose an algorithm based on the secondary goal approach to address the problem. The proposed algorithm is proven mathematically to be an effective approach to guaranteeing the uniqueness of the equilibrium efficient frontier.     

Fluorescence lidar imaging of fungal growth on high-voltage outdoor composite insulators

Remote fluorescence imaging of fungal growth on polymeric high-voltage insulators was performed using a mobile lidar system with a laser wavelength of 355 nm. Insulator areas contaminated by fungal growth could be distinguished from clean surfaces and readily be imaged. The experiments were supported by detailed spectral studies performed in laboratory using a fibre-optic fluorosensor incorporating an optical multi-channel analyser system (OMA) and a nitrogen laser emitting radiation at 337 nm.     

Reaction of α-bromocarboxylic acids with hydrazine and dimethylhydrazine

Nucleofilic reaction of a series of α-bromocarboxylic acids with hydrazine and dimethylhydrazine is studied. High reactivity of α-bromocarboxylic acids is revealed and a series of α-hydrazinoarboxylic acids and N-(1-carboxyalkyl)-N,N-dimethylhydrazinium bromides are synthesized.     

Field theory onR×S 3 topology. V:SU 2 gauge theory

A gauge theory on R×S ³ topology is developed. It is a generalization to the previously obtained field theory on R×S ³ topology and in which equations of motion were obtained for a scalar particle, a spin one-half particle, the electromagnetic field of magnetic moments, and a Shrödinger-type equation, as compared to ordinary field equations defined on a Minkowskian manifold. The new gauge field equations are presented and compared to the ordinary Yang-Mills field equations, and the mathematical and physical differences between them are discussed.On leave from Center for Theoretical Physics, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel.     

Specific and nonspecific metal ion-nucleotide interactions at aqueous/solid interfaces functionalized with adenine, thymine, guanine, and cytosine oligomers

This article reports nonlinear optical measurements that quantify, for the first time directly and without labels, how many Mg(2+) cations are bound to DNA 21-mers covalently linked to fused silica/water interfaces maintained at pH 7 and 10 mM NaCl, and what the thermodynamics are of these interactions. The overall interaction of Mg(2+) with adenine, thymine, guanine, and cytosine is found to involve -10.0 ± 0.3, -11.2 ± 0.3, -14.0 ± 0.4, and -14.9 ± 0.4 kJ/mol, and nonspecific interactions with the phosphate and sugar backbone are found to contribute -21.0 ± 0.6 kJ/mol for each Mg(2+) ion bound. The specific and nonspecific contributions to the interaction energy of Mg(2+) with oligonucleotide single strands is found to be additive, which suggests that within the uncertainty of these surface-specific experiments, the Mg(2+) ions are evenly distributed over the oligomers and not isolated to the most strongly binding nucleobase. The nucleobases adenine and thymine are found to bind only three Mg(2+) ions per 21-mer oligonucleotide, while the bases cytosine and guanine are found to bind eleven Mg(2+) ions per 21-mer oligonucleotide.     

Quantum chemical comparison of vertical,adiabatic, and 0‐0 excitation energies: The PYP and GFP chromophores

A number of benchmark studies investigating the performance of quantum chemical methods for calculating vertical excitation energies are today available in the literature. However, less established is the variation between methods in their estimates of the differences between vertical, adiabatic, and 0‐0 excitation energies. To this end, such excitation energies are here calculated for the bright S₁ states of the anionic chromophores of the photoactive yellow protein (PYP) and the green fluorescent protein (GFP) in the gas phase using configuration interaction singles, complete active space self‐consistent field, coupled‐cluster singles and doubles, and time‐dependent density functional theory methods. Although the estimates of the excitation energies vary by more than 1 eV between the methods, the differences between the different types of excitation energies are found to be relatively method‐insensitive, varying by ～0.1 eV only for these particular chromophores. Specifically, the adiabatic energies are uniformly 0.10–0.17 (PYP) and 0.06–0.17 eV (GFP) lower than the vertical energies, and the 0‐0 energies are similarly 0.09–0.14 (PYP) and 0.07–0.17 eV (GFP) lower than the adiabatic energies. © 2012 Wiley Periodicals, Inc.