Using molecular quantum similarity measures as descriptors in quantitative structure-toxicity relationships

In this paper molecular quantum similarity measures (MQSM) are used to describe molecular toxicity and to construct Quantitative Structure-Toxicity Relationships (QSTR) models. This study continues the recently described relationships between MQSM and log P values, which permits to use the theoretical MQSM as an alternative to the empirical hydrophobic parameter in QSPR studies. In addition a new type of MQSM is presented in this work: it is based on the expectation value of electron-electron repulsion energy. The molecular properties studied here, as application examples are aquatic toxicity, toxicology on Bacteria and inhibition of a macromolecule employing four different molecular sets.     

Establishment of The Power—Time Curve Equation of Bacterial Growth in the Log Phase

The power-time curves of two species of bacteria, Vibro metschnikovii, Vibro bollisae were determined calorimetrically by using a 2277 bioactivity monitor. The power-time curve equation of bacterial growth in the log phase can be expressed as

Time-variable Method for Studying Reaction Rates in a Calorimeter

A novel method for the determination of rate constants of reactions, the time-variable method, is proposed in this paper. The method needs only three time points (t), peak heights () and pre-peak areas (), obtained from the measured thermoanalytical curve. It does not require the thermokinetic reaction to be completed. It utilizes data-processing on a computer to give the rate constants. Four reaction systems, including a first-order reaction, second-order reactions (with equal concentrations and with unequal concentrations) and a third-order reaction, were studied with this method. The method was validated and its theoretical basis was verified by the experimental results.This revised version was published online in November 2005 with corrections to the Cover Date.     

Superchirped moiré grating based on an acousto-optic superlattice with a chirped fiber Bragg grating

A superchirped moiré grating has multiple superimposed chirped Bragg gratings. We show that a superchirped moiré grating can be formed in an acousto-optic superlattice with a chirped fiber Bragg grating. There are multiple transmission peaks related to Fabry-Perot resonance in the transmission spectrum. The peak spacing is varied by the acoustic frequency. The proposed devices can be used as tunable multiple-passband transmission filters and switches.     

Synchronous, dual-wavelength, injection-seeded amplification of 5-ns pulses in a flash-lamp-pumped Ti:sapphire laser

The outputs of two cw diode lasers are coupled into a flash-lamp-pumped Ti:sapphire laser cavity for regenerative amplification. Slices of each seed beam are simultaneously trapped in the cavity and amplified for approximately 33 round trips. The output is a 4.7-ns pulse, the total pulse energy is 110 mJ, and linewidths are only 50% greater than the Fourier-transform limit. The timing jitter between the pulses at the two wavelengths is less than +/-75 ps , and their relative energy is controlled by adjustment of the seed power of the cw diode lasers. Gain competition between the two frequencies does not lead to instabilities.     

In vivo ultrahigh-resolution optical coherence tomography

Ultrahigh-resolution optical coherence tomography (OCT) by use of state of the art broad-bandwidth femtosecond laser technology is demonstrated and applied to in vivo subcellular imaging. Imaging is performed with a Kerr-lens mode-locked Ti:sapphire laser with double-chirped mirrors that emits sub-two-cycle pulses with bandwidths of up to 350 nm, centered at 800 nm. Longitudinal resolutions of ~1mum and transverse resolution of 3mum, with a 110-dB dynamic range, are achieved in biological tissue. To overcome depth-of-field limitations we perform zone focusing and image fusion to construct a tomogram with high transverse resolution throughout the image depth. To our knowledge this is the highest longitudinal resolution demonstrated to date for in vivo OCT imaging.     

Frequency-upconverted organic crystal

The fluorescent characteristics of Troger's base have been investigated experimentally. A one-photon-induced fluorescent spectrum was observed, and the peak wavelength was at 337 nm with a full width at half-maximum of ~85nm . The violet radiation of the Troger's base crystal could result from the pi(*) -pi transition of the benzenoid pi bond. Two-photon-pumped frequency-upconverted fluorescence was obtained, which is a wideband emission with the main peak wavelength at 337 nm and a subordinate peak. Donor groups and acceptor groups of electrons in the aromatic rings strengthen the two-photon-pumped frequency-upconverted fluorescence.     

Weak Copositive and Intertwining Approximation

It is known that shape preserving approximation has lower rates than unconstrained approximation. This is especially true for copositive and intertwining approximations. ForfL_p, 1p<∞, the former only has rateω(f, n⁻¹)_p, and the latter cannot even be bounded byC f_p. In this paper, we discuss various ways to relax the restrictions in these approximations and conclude that the most sensible way is the so-calledalmostcopositive/intertwining approximation in which one relaxes the restriction on the approximants in a neighborhood of radiusΔ_n(y_j) of each sign changey_j.     

The Existence of Positive Solutions to Neutral Differential Equations

In this paper, we shall consider a class of neutral differential equations of the form

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where τ (0, ∞), σ [0, ∞), Q(t) C([t₀, ∞), R ⁺ ), r(t) C([t₀, ∞), (0, ∞)) with r(t) nondecreasing on [t₀ − τ, ∞). We shall show that all positive solutions of ( * ) can be classified into four types, A, B, C, and D, and we shall obtain sufficient and necessary conditions for the existence of A-type, B-type, and D-type positive solutions of ( * ), respectively. A sufficient condition for the existence of C-type positive solutions of ( * ) is also given. Finally, we shall offer a sharp oscillation result for all solutions of ( * ). Our results generalize and improve those established in B. Yang and B. G. Zhang (Funkcial. Ekvac.39 (1996), 347–362).