Ion pairing, H-bonding, and π–π interactions in copper(II) complex-organo-networks derived from a proton-transfer compound of the 1,10-phenanthroline-2,9-dicarboxylic acid

The one-pot reaction between the novel proton transfer compound (pydaH₂)²⁺(phendc)²⁻, LH₂, and Cu(II) afforded the compounds (pydaH)₂[Cu(phendc)₂]·10H₂O, 1, and (pydaH)₂[Cu(phendc)(phendcH)]₂·5H₂O, 2, where pyda=2,6-diaminopyridine, and phendcH₂=1,10-phenanthroline-2,9-dicarboxylic acid. The single crystal X-ray diffraction analysis of 1 and 2 revealed that these are two novel self-assembled 3D Cu(II) complex-organo-networks, in which (pydaH)⁺ ions and [Cu(phendc)₂]²⁻ or complex units are held together by ion pairing, H-bonding, and π–π interactions. Magnetic measurements over the temperature range 1.8–310 K revealed no significant magnetic coupling between Cu(II) centers in 1 or 2.     

Characterization of Gasoline by 1H Nuclear Magnetic Resonance and Chemometrics

Automotive fuel adulteration is an old and significant problem. One common type of fuel adulteration is the addition of diesel to gasoline. Unsupervised models were developed through hierarchical cluster and principal component analysis models. Supervised models through partial least square discriminant analysis using ¹H nuclear magnetic resonance spectra as the input were used to classify samples as adulterated or unadulterated. Quantitative models were developed using partial least squares to determine the gasoline and diesel concentrations in the samples. This set contained samples composed of pure gasoline and anhydrous ethanol reproducing commercial gasoline and other samples treated with diesel. Hierarchical cluster and principal component analysis did not distinguish between adulterated and unadulterated samples except for the most adulterated materials. However, partial least square discriminant analysis classified 100% of the samples correctly. The partial least square algorithm provided excellent regression models for the gasoline and diesel content. The determination coefficient was 0.9920 for both models, whereas the root mean square error of cross-validation and root mean square error of prediction for the diesel model were 2.32 and 1.42%, respectively, and 2.40 and 1.38% for the gasoline model.     

Irreducible Lie algebra extensions of the Poincaré algebra

We use cohomology of Lie algebras to analyse the abelian extensions of the Poincaré algebraP. We study particularly the irreducible and truly irreducible extensions: some irreducibility criteria are proved and applied to obtain a classification of types of irreducible abelian extensions ofP. We give a characterization of the minimal essential extensions in terms of truly irreducible extensions.     

On the de Morgan Property of the Standard Brouwer–Zadeh Poset

The standard Brouwer–Zadeh poset (H) is the poset of all effect operators on a Hilbert space H, naturally equipped with two types of orthocomplementation. In developing the theory, the question occured if (when) (H) fulfils the de Morgan property with respect to both orthocomplementation operations. In Ref.3 the authors proved that it is the case provided dimH<, and they conjectured that if dimH=, then the answer is in the negative. In this note, we first give a somewhat simpler proof of the known result for dimH<, and then we give a proof to the conjecture: We show that if dimH=, then the de Morgan property is not valid.     

From Effect Algebras to Algebras of Effects (Sum Brouwer—Zadeh Algebras)

The algebraic structures arising in the axiomatic framework of unsharp quantummechanics based on effect operators on a Hilbert space are investigated. It isstressed that usually considered effect algebras neglect the unitary Brouwerianmap of complementation, and the main results based on this complementationare collected, showing the enrichment produced into the theory by its introduction.In particular, in these structures two notions of sharpness can be considered: K-sharpness induced by the usual complementation of effect algebrasand B-sharpness induced by this new complementation. Quantum (resp., classical) SBZalgebras are then characterized by the condition of B-coherence (resp., B-coherence plusB-compatibility), showing that in this case the poset of all B-sharp elements is orthomodular (resp., Boolean algebra). In the unsharp contextof effect operators, the finite dimensionality of the Hilbert space or the finitenessof a von Neumann algebra are both characterized by a de Morgan property ofthe Brouwer complementation. Moreover, since effect operators on a pre-Hilbertspace give rise to a standard model of effect algebras, a characterization ofcompleteness of pre-Hilbert spaces is given making use of the Brouwercomplement.     

Chemiluminescence as a PDT light source for microbial control

The photodynamic therapy (PDT) is a combination of using a photosensitizer agent, light and oxygen that can cause oxidative cellular damage. This technique is applied in several cases, including for microbial control. The most extensively studied light sources for this purpose are lasers and LED-based systems. Few studies treat alternative light sources based PDT. Sources which present flexibility, portability and economic advantages are of great interest. In this study, we evaluated the in vitro feasibility for the use of chemiluminescence as a PDT light source to induce Staphylococcus aureus reduction. The Photogem? concentration varied from 0 to 75 μg/ml and the illumination time varied from 60 min to 240 min.The long exposure time was necessary due to the low irradiance achieved with chemiluminescence reaction at μW/cm2 level. The results demonstrated an effective microbial reduction of around 98% for the highest photosensitizer concentration and light dose. These data suggest the potential use of chemiluminescence as a light source for PDT microbial control, with advantages in terms of flexibility, when compared with conventional sources.     

Loop and Path Spaces and¶Four-Dimensional BF Theories:¶Connections, Holonomies and Observables

We study the differential geometry of principal G-bundles whose base space is the space of free paths (loops) on a manifold M. In particular we consider connections defined in terms of pairs (A,B), where A is a connection for a fixed principal bundle P(M,G) and B is a 2-form on M. The relevant curvatures, parallel transports and holonomies are computed and their expressions in local coordinates are exhibited. When the 2-form B is given by the curvature of A, then the so-called non-abelian Stokes formula follows. For a generic 2-form B, we distinguish the cases when the parallel transport depends on the whole path of paths and when it depends only on the spanned surface. In particular we discuss generalizations of the non-abelian Stokes formula. We study also the invariance properties of the (trace of the) holonomy under suitable transformation groups acting on the pairs (A,B). In this way we are able to define observables for both topological and non-topological quantum field theories of the BF type. In the non-topological case, the surface terms may be relevant for the understanding of the quark-confinement problem. In the topological case the (perturbative) four-dimensional quantum BF-theory is expected to yield invariants of imbedded (or immersed) surfaces in a 4-manifold M. Received: 28 March 1998 / Accepted: 12 September 1998     

An orbifold relative index theorem

In this paper we prove a relative index theorem for pairs of generalized Dirac operators on orbifolds which are the same at infinity. This generalizes to orbifolds a celebrated theorem of Gromov and Lawson.     

Molecular orientation of thiol-derivatized tetraphenylporphyrin on gold studied by XPS and NEXAFS

Tetraphenylporphyrins bearing four linkers consisting of thioacetyl-functionalized carbon chains were immobilized on a gold surface via thiolate-gold bonds using two different preparation routes. The structure of these molecular layers was characterized in detail with synchrotron radiation based core-level spectroscopy, X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The results show that the geometry of the molecular layers and the number of linkers that bind to the gold surface depends on the preparation schemes. The deprotection of the linkers through removal of the terminal acetyl group before the molecular adsorption (deprotected systems) resulted in porphyrins bound to the gold surface with on the average three linkers, their normal axis being tilted ∼38° with respect to the surface normal. On the other hand, porphyrin layers prepared directly with the acetyl group still in place on the linkers (protected systems) are made of molecules bound to the gold surface via two linkers on the average. The resulting orientation is more upright, with the normal axis of the porphyrin plane tilted ∼50° with respect to the surface normal. Moreover, NEXAFS measurements revealed that the acetyl deprotected porphyrin layers have a higher degree of ordering than the protected systems.