Recursive intermediate factorization and complete computational linearization of the coupled-cluster single,double, triple,and quadruple excitation equations

Summary The nonlinear CCSDTQ equations are written in a fully linearized form, via the introduction of computationally convenient intermediates. An efficient formulation of the coupled cluster method is proposed. Due to a recursive method for the calculation of intermediates, all computational steps involve the multiplication of an intermediate with aT vertex. This property makes it possible to express the CC equations exclusively in terms of matrix products which can be directly transformed into a highly vectorized program.This work has been supported by the U.S. Air Force Office of Scientific Research, Grant No. 90-0079     

Highly hydrophilic surfaces from polyglycidol grafts with dual antifouling and specific protein recognition properties

Homopolymer grafts from α-tert-butoxy-ω-vinylbenzyl-polyglycidol (PGL) were prepared on gold and stainless steel (SS) substrates modified by 4-benzoyl-phenyl (BP) moieties derived from the electroreduction of the parent salt 4-benzoyl benzene diazonium tetrafluoroborate. The grafted BP aryl groups efficiently served to surface-initiate photopolymerization (SIPP) of PGL. In similar conditions, SIPP of hydroxyethyl methacrylate (HEMA) permitted the production of PHEMA grafts as model surfaces. Water contact angles were found to be 66°, 15°, and 0° for SS-BP, SS-PHEMA, and SS-PPGL, respectively. The spontaneous spreading of water drops on SS-PPGL was invariably observed with 1.5 μL water drops. PPGL thus appears as a superhydrophilic polymer. Resistance to nonspecific adsorption of proteins of PPGL and PHEMA grafts on gold was evaluated by surface plasmon resonance (SPR) using antibovine serum albumin (anti-BSA). The results conclusively show that PPGL-grafts exhibit enhanced resistance to anti-BSA adsorption compared to the well-known hydrophilic PHEMA. PPGL grafts were further modified with BSA through the carbonyldiimidazole activation of the OH groups providing immunosensing surfaces. The so-prepared PPGL-grafted BSA hybrids specifically interacted with anti-BSA in PBS as compared to antimyoglobin. It is clear that the superhydrophilic character of PPGL grafts opens new avenues for biomedical applications where surfaces with dual functionality, namely, specific protein grafting together with resistance to biofouling, are required.     

Development and validation of a routine multiresidue method for determining 140 pesticides in fruits and vegetables by gas chromatography/tandem quadrupole mass spectrometry

A GC/tandem quadrupole MS/MS method was developed and validated for the determination of the residues of 140 pesticides in fruits and vegetables. Pesticides were extracted from samples by using a miniaturized acetonitrile-based extraction technique known as the quick, easy, cheap, effective, rugged, and safe (QuEChERS) method. Validation studies were carried out on carrots, tomatoes, and strawberries. In order to reduce systematic errors due to a matrix-induced effect, quantification was carried out using matrix-matched standard calibration curves. The recovery and precision results satisfied the European Union criteria (i.e., average recoveries were in the range 70-120% with RSDs < or = 20%) for 125 of the 140 pesticides at a spiking level of 0.01 mg/kg. At the higher spiking levels, there were just two instances of overall average recovery < 70% (chlorothalonil and captan). The measurement uncertainty was estimated following a "top down" approach as being 21 and 35%, on average, based on validation and ongoing recovery data, respectively (coverage factor k = 2, confidence level 95%). Practical application to 541 samples of apples, tomatoes, strawberries, cucumbers, currants, mushrooms, carrots, peppers, pears, onions, and gooseberries under strict QC conditions demonstrated the ruggedness of the total procedure.     

Hydrophilic Microspheres Containing αα-tert Butoxy-ωω-vinylbenzyl-polyglycidol for Immunodiagnostics: Synthesis,Properties and Biomedical Applications

Summary: Synthesis, characteristics and medical diagnostic application of core-shell poly(styrene/α-tert-butoxy-ω-(vinylbenzyl)polyglycidol) (P(S/PGL)) microspheres are described. The particles were prepared by soap-free emulsion polymerization of styrene and α-tert-butoxy-ω-(vinylbenzyl)polyglycidol macromonomer (PGL) initiated with potassium persulfate. The polymerization in water yielded microspheres with diameters in the range from 220 to 650 nm, depending on concentration of the macromonomer. Polydispersity was usually below 1.06. The fraction of PGL in interfacial layer of microspheres ranged from 0 to 42 mol.% (estimated by XPS). Microspheres suspended in NaCl solutions manifested fully reversible swelling-deswelling properties of their interfacial layer with characteristic transition temperature (T_t) slightly dependent on NaCl concentration. The adsorption of human serum albumin on the surface of P(S/PGL) microspheres was highly reduced when the PGL surface fraction exceeded 40 mol.%. P(S/PGL) microspheres with immobilized antigens Helicobacter pylori were used for detection of antibodies against. The test was based on monitoring differences in electrophoretic mobility of P(S/PGL) microspheres covalently bound H. pylori antigens and antibodies against H. pylori in blood serum.     

Colloidal liquid crystal type assemblies of spheroidal polystyrene core/polyglycidol‐rich shell particles (P[S/PGL]) formed at the liquid‐silicon‐air interface by a directed dewetting process

A method for the preparation of stripe‐like monolayers of microspheroids is described. The particles were obtained from polystyrene core/polyglycidol‐rich shell microspheres by stretching poly (vinyl alcohol) films that contain embedded particles. The stretching was performed under controlled conditions at temperatures above the T_g of the films and particles. The elongated films were dissolved in water, and the microspheroids were subsequently removed and purified from the poly (vinyl alcohol). The aspect ratio (AR) of the particles, which denotes the ratio of the lengths of the longer to shorter particle axes, was determined by the film elongation. The AR values were in the range of 2.9‐7.7. Spheroidal particles with various ARs were deposited onto silicon wafers from an ethanol (EtOH) suspension. The particle concentration and volume of the suspension were the same in each experiment. Evaporation of the EtOH yielded stripes of spherical particles packed into nematic‐type colloidal crystals and assembled into monolayers. The orientation of the stripes after ethanol evaporation was perpendicular to the triphasic (silicon‐ethanol‐air) interface along the silicon substrate. The adsorbed stripes on the wafers were characterized in terms of their interstripe distance (ID), stripe width, and crystal domain size. Nematic‐type spheroid arrangements in the stripes were the dominant structure, which enabled denser packing of the particles into colloidal crystals than that allowed by the smectic‐type arrangements. Furthermore, the number of spheroids adsorbed per surface unit of the silicon wafers was similar for all ARs, but the width and frequency of the spheroid stripes adsorbed on the wafers were different.     

Neutrino mass effect on the nuclear muon capture

Multipole expansion of the partial transition amplitude in the nuclear muon capture with massive lefthanded Dirac neutrino has been derived. The multipole amplitudes for the partial nuclear transitions are given as the explicit functions of the neutrino mass parameter. As an example, the capture rate, the recoil asymmetry and the neutrino polarization are investigated in terms of these multipole amplitudes. The transversal neutrino polarization provides a connection between theT-violation and the neutrino mass: ifT-odd component in the neutrino polarization is observed, then neutrino must be a massive particle. It turns out that in the capture rate and recoil polarization, the effects due to very small neutrino mass can be proportional to the square ratio of the neutrino mass to its momentum, while the neutrino transversal polarization is proportional to this ratio only. Under the recent limits on the muon neutrino mass, the observable effects inthe partial transition may be below the order of ?10^?3.     

Note on grammatical translations of logical calculi

It is shown that there exists no grammatical translation into classical (propositional) logic of the modal logics, nor of intuitionistic logic and of the relatedness and dependence logics, as defined in Richard L. Epstein's bookThe Semantic foundations of logic. In the book the result is proved for translations without parameters.Classical propositional logicPC can be translated into other logics. Usually the grammatical structure of propositions is preserved, in the sense of the following definition.     

Polyoxyphenylen. 4. Mitt.: Einflu? der Bedingungen der 2,6-Xylenolpolymerisation auf den Stickstoffgehalt im Polymer

Ohne Zusammenfassung     

Laser photolysis of 2-phenylheptamethyltrisilane

Two transient absorptions have been detected in the 266 nm laser photolysis of 2-phenylheptamethyltrisilane in cyclohexane solution at room temperature, and their time evolution was recorded in the presence and absence of air and added trapping agents. The shorter-lived 440 nm transient (t1/2 < 20μs) is tentatively assigned to the silylene :SiMePh and the more persistent 380 nm transient to the disilene MePhSiSiMePh. The reactivity of this silylene is much lower than had been expected.