Are linear algorithms always good for linear problems?

We exhibit linear problems for which every linear algorithm has infinite error, and show a (mildly) nonlinear algorithm with finite error. The error of this nonlinear algorithm can be arbitrarily small if appropriate information is used. We illustrate these examples by the inversion of a finite Laplace transform, a problem arising in remote sensing.     

Laser Stark spectroscopy of FCN

Using a CO₂ laser, Stark shifted resonances have been measured for the CF stretching fundamental (ν₃) of FCN near 9.3 μm, and for two nearby “hot” bands. The band centers measured are 1076.492007 ± 0.000013 cm^?1 for 00⁰1-00⁰0, 1085.741046 ± 0.000050 cm^?1 for 01¹1-01¹0, and 1091.16222 ± 0.00015 cm^?1 for 02⁰1-02⁰0. The ground state dipole moment of FCN is found to be 2.1203 ± 0.0010 D and dipole moments are also given for the other states observed. Values are given for the rotational constant and l-doubling constant for the 01¹1 state.     

Thermal Characterization of Polybutadiyne

Butadiyne was thermally polymerized from the vapor phase onto substrate polyethylene, poly(vinylidene fluoride), polytetrafluoro-ethylene, and fluorinated ethylene propylene films at 20°C. The reaction is characterized as an initial absorption of monomer into the film followed by polymerization in the condensed state. A postpolymerization thermal reaction of the polybutadiyne pendant ethynyl groups was conducted over a 120 to 470°C temperature range with a subsequent surface electrical resistivity decrease to 7 × 10¹¹ ohm/square. The reaction of the pendant acetylenic groups was monitored by DSC and IR spectroscopy and found to be more complex than an intramolecular conversion of an acetylenic polyene to a polyacene structure.     

Stability constants of metal complexes of macrocyclic ligands with pendant donor groups

Abstract

In our studies of the stability constants of metal complexes, we have investigated a number of macrocyclic ligands with pendant donor groups. The ligands are characterized by the fact that they have nitrogen donors in the macrocyclic ring and oxygen or sulfur donors in the pendant arms. These ligands represent seven different macrocycles, and by varying the pendant donor groups, ten different ligands are indicated. The affinities of these ligands for fifteen metal ions will be described. The Fe(III) complex of triazanonane with o-hydroxypyridyl or o-hydroxybenzyl pendant donor groups are the most stable ferric complexes ever reported. The In(III) complex of triazacyclononane with pendant mercaptoethyl donor groups, is exceptionally stable. Also, the Ca(II) complex of DOTA probably has the highest stability of any calcium(II) complex. These, and other comparisons will be made on the basis of the thermodynamic stability constant data for the ligands described.     

Preparation and characterization of microcapsules loaded with polyphenols-enriched Uncaria tomentosa extract using spray-dryer technique

Journal of Thermal Analysis and Calorimetry - This work prepared and characterized microcapsule of Uncaria tomentosa (UT) in order to standardize a spray-dryer Uncaria tomentosa extract. The UT...     

Channel-Supermodular Entropies: Order Theory and an Application to Query Anonymization

This work introduces channel-supermodular entropies, a subset of quasi-concave entropies. Channel-supermodularity is a property shared by some of the most commonly used entropies in the literature, including Arimoto–Rényi conditional entropies (which include Shannon and min-entropy as special cases), k-tries entropies, and guessing entropy. Based on channel-supermodularity, new preorders for channels that strictly include degradedness and inclusion (or Shannon ordering) are defined, and these preorders are shown to provide a sufficient condition for the more-capable and capacity ordering, not only for Shannon entropy but also regarding analogous concepts for other entropy measures. The theory developed is then applied in the context of query anonymization. We introduce a greedy algorithm based on channel-supermodularity for query anonymization and prove its optimality, in terms of information leakage, for all symmetric channel-supermodular entropies.     

Further aspects of the roaming mechanism in formaldehyde dissociation

Recently we reported a novel “roaming” dissociation pathway of formaldehyde in which one of the H atoms strays far from the minimum energy reaction path, explores a broad region of the potential energy surface, then abstracts the remaining H atom to form molecular products, without going near the configuration of the conventional transition state saddle point. The detailed dynamics of the abstraction mechanism and its energy dependence have already been reported. Here, with a combination of experimental and theoretical results, we examine the roaming behavior at the energetic extremes. We show evidence of roaming below the threshold of the radical dissociation channel and consider the implications of this and the possible existence of a transition state for the roaming mechanism. We also show the occurrence of roaming up to 3200 cm⁻¹ above the threshold of the triplet dissociation channel. In addition, we present results affording deeper insight into the dynamics of the roaming mechanism: we show evidence of roaming leading to CO in v = 1, and examine the issue of nuclear spin conservation during dissociation via the roaming mechanism.