Studies on three-dimensional quantitative structure-activity relationship of PDE inhibitory activity of imidazopyridines

In recent years there has been a resurgence of interest in inhibitors of cyclic nucleotide phosphodiesterases (PDE) and enzymes responsible for the intracellular hydrolysis of the second messenger cAMP and cGMP. In this study, a series of 2-substituted phenyllimidazo[4,5-b]pyridines have been made to investigate 3D-QSAR of PDE activity using CoMFA. CoMFA resulted in a quantitative description of the major steric and electrostatic field effects, and gave significant new insights to factors governing PDE inhibition activity. The model was used to predict the PDE inhibition activity of imidazopyridines with satisfactory results.

Studies on three-dimensional quantitative structure-activity relationships between the structures of N-nitroso compounds and their carcinogenic activities

Comparative molecular fiels analysis (CoMFA) has been applied to the studies of the correlation of the N-nitroso compounds and their carcinogenic activities, The comparison of CoMFA results with different lattice spacing and different atom probes was investigated, CoMFA resulted in a quantitative description of the major steric and electrostatic field effects and gave significant new insights to factors governing potency.

Seasonal and interannual variability of primary and export production in the South China Sea: a three-dimensional physical-biogeochemical model study

To investigate the seasonal and interannual variations in biological productivity in the South China Sea (SCS), a Pacific basin-wide physical - biogeochemical model has been developed and used to estimate the biological productivity and export flux in the SCS. The Pacific circulation model, based on the Regional Ocean Model Systems (ROMS), is forced with daily air-sea fluxes derived from the NCEP (National Centers for Environmental Prediction) reanalysis between 1990 and 2004. The biogeochemical processes are simulated with a carbon, Si(OH)(4), and nitrogen ecosystem (CoSiNE) model consisting of silicate, nitrate, ammonium, two phytoplankton groups (small phytoplankton and large phytoplankton), two zooplankton grazers (small micrograzers and large mesozooplankton), and two detritus pools. The ROMS-CoSiNE model favourably reproduces many of the observed features, such as ChI a, nutrients, and primary production (PP) in the SCS. The modelled depth-integrated PP over the euphotic zone (0-125 m) varies seasonally, with the highest value of 386 mg C m (-2) d (-1) during winter and the lowest value of 156 mg C m (-2) d (-1) during early summer. The annual mean value is 196 mg C m (-2) d (-1). The model-integrated annual mean new production (uptake of nitrate), in carbon units, is 64.4 mg C m (-2) d (-1) which yields an f-ratio of 0.33 for the entire SCS. The modelled export ratio (e-ratio: the ratio of export to PP) is 0.24 for the basin-wide SCS. The year-to-year variation of biological productivity in the SCS is weaker than the seasonal variation. The large phytoplankton group tends to dominate over the smaller phytoplankton group, and likely plays an important role in determining the interannual variability of primary and new production.

Three-dimensional fluorescence characteristics of dissolved organic matter produced by Prorocentrum donghaiense Lu

Filtration and cross-flow ultrafiltration techniques were used to separate culture media of Prorocentrum donghaiense at the exponential growth, stationary and decline stages into < 0.45 mu m filtrate, 100 kDa-0.45 mu m, 10-100 kDa and 1-10 kDa retentate and < 1 kDa ultrafiltrate fractions. The fluorescence. properties of different molecular weights of dissolved organic matter (DOM) were measured by excitation-emission matrix spectra. Protein-like and humic-like fluorophores were observed in the DOM produced by P. donghaiense. The central positions of protein-like fluorophores showed a red shift with prolonged growth duration, shifting from tyrosine-like properties at the exponential growth stage to tryptophan-like properties at the stationary and decline stages. The excitation wavelengths of protein-like fluorophores exhibited some change in the exponential growth and stationary stages with increased molecular size, but showed little change in the decline stage. However, the emission wavelengths in the decline stage exhibited a blue shift. Very distinct C type and A type peaks in humic-like fluorophores were observed. With a prolonged culture time, the intensities of both of the peaks became strong and the excitation wavelengths of peak A showed a red shift, while the A:C ratios fell. More than 94% of fluorescent DOM was in the lower than 1 kDa molecular weight fraction.

Three dimensional fluorescence excitation-emission on matrix spectrum of dissolved organic substance in marine microalgaes growth process

The three-dimensional fluorescence spectrum was used to detect the changes in dissolved organic substances from the cultured Skeletonema costatum, Alexandrium tamarense, Alexandrium mimutum, Scrippsiella trochodea, Prorocentrum donghaiense and Prorocentrum micans. The result indicates that all of the microalgaes can produce FDOM in the growth courses. Diatom such as Skeletonema costatum can produce humic-like FDOM. However dinoflagellate can produce protein-like FDOM at exponential growth phase. When the algae grows into decadency phase, the intensity of humic-like and protein-like fluorescence augments rapidly, which may be due to a mass of FDOM realeased by the old or dead cell fragmentation and the degradation of bacteria by using non-FDOM. The fluorescent intensity of Alexandrium tamarense, Alexandrium mimutum, Prorocentrum donghaiense and Prorocentrum micans can reduce at anaphase of decadency phase because of the degradation of bacteria and light. The same genus of algae can produce similar FDOM, for example: Alexandrium tamarense, and Alexandrium mimutum, Prorocentrum donghaiense and Prorocentrum micans, but the positions of the fluorescence peaks are different.

A three-dimensional coupled physical-biological model study in the spring of 1993 in the Bohai Sea of China

A three-dimensional (3-D) coupled physical and biological model was used to investigate the physical processes and their influence on the ecosystem dynamics of the Bohai Sea of China. The physical processes include M-2 tide, time - varying wind forcing and river discharge. Wind records from I to 31 May in 1993 were selected to force the model. The biological model is based on a simple, nitrate and phosphate limited, lower trophic food web system. The simulated results showed that variation of residual currents forced by M, tide, river discharge and time-varying wind had great impact on the distribution of phytoplankton biomass in the Laizhou Bay. High phytoplankton biomass appeared in the upwelling region. Numerical experiments based on the barotropic model and baroclinic model with no wind and water discharge were also conducted. Differences in the results by the baroclinic model and the barotropic model were significant: more patches appeared in the baroclinic model comparing with the barotropic model. And in the baroclinic model, the subsurface maximum phytoplankton biomass patches formed in the stratified water.

Studies on two coordination polymers [M(mu(4)-pz25dc)](n) (M = Cd or Zn, pz25dc=pyrazine-2,5-dicarboxylato) with three-dimensional pillared-layer three-nodal framework: Synthesis, structural characterization, strong optical non-linearities and optical limiting properties

Two isomorphous new candidates [M(mu(4)-pz25dc)](n) (M = Cd, 1; Zn, 2; pz25dc = pyrazine-2,5-dicarboxylato)for nonlinear optical (NLO) materials have been synthesized hydrothermally and characterized crystallographically as pillared-layer three-nodal frameworks with one four-connected metal nodes and two crystallographically different four-connected ligand nodes. Their optical non-linearities are measured by the Z-Scan technique with an 8 ns pulsed laser at 532 nm. These two coordination polymers both exhibit strong NLO absorptive abilities [alpha(2) = (63 +/- 6) x 10 (12) mW (1) 1, ( 46 +/- 6) x 10 (11) mW (1) 2] and effective self-focusing performance [n(2) = (67 +/- 5) x 10 (18) 1, (13 +/- 3) x 10 (18) m(2) W (1) 2] in 1.02 x 10 (4) 1 and 1.05 x 10 (4) mol dm (3) 2 DMF solution separately. The values of the limiting threshold are also measured from the optical limiting experimental data. The heavy atom effect plays important role in the enhancement of optical non-linearities and optical limiting properties. (C) 2009 Elsevier B. V. All rights reserved.

Computer Perception of Three-Dimensional Objects

We first pose the following problem: to develop a program which takes line-drawings as input and constructs three-dimensional objects as output, such that the output objects are the same as the ones we see when we look at the input line-drawing. We then introduce the principle of minimum standard-deviation of angles (MSDA) and discuss a program based on MSDA. We present the results of testing this program with a variety of line- drawings and show that the program constitutes a solution to the stated problem over the range of line-drawings tested. Finally, we relate this work to its historical antecedents in the psychological and computer-vision literature.

The Perceptual Buildup of Three-Dimensional Structure from Motion

We present psychophysical experiments that measure the accuracy of perceived 3D structure derived from relative image motion. The experiments are motivated by Ullman's incremental rigidity scheme, which builds up 3D structure incrementally over an extended time. Our main conclusions are: first, the human system derives an accurate model of the relative depths of moving points, even in the presence of noise; second, the accuracy of 3D structure improves with time, eventually reaching a plateau; and third, the 3D structure currently perceived depends on previous 3D models. Through computer simulations, we relate the psychophysical observations to the behavior of Ullman's model.

Recognizing Three-Dimensional Objects without the Use of Models

We present an approach to the problem of recognizing three-dimensional objects from line-drawings. In this approach there are no models. The system needs only to be given a single picture of an object; it can then recognize the object in arbitrary orientations.

Viewpoint-Specific Representations in Three-Dimensional Object Recognition

We report a series of psychophysical experiments that explore different aspects of the problem of object representation and recognition in human vision. Contrary to the paradigmatic view which holds that the representations are three-dimensional and object-centered, the results consistently support the notion of view-specific representations that include at most partial depth information. In simulated experiments that involved the same stimuli shown to the human subjects, computational models built around two-dimensional multiple-view representations replicated our main psychophysical results, including patterns of generalization errors and the time course of perceptual learning.

Recovering Three-Dimensional Structure from Motion with Surface Reconstruction

We address the computational role that the construction of a complete surface representation may play in the recovery of 3--D structure from motion. We present a model that combines a feature--based structure--from- -motion algorithm with smooth surface interpolation. This model can represent multiple surfaces in a given viewing direction, incorporates surface constraints from object boundaries, and groups image features using their 2--D image motion. Computer simulations relate the model's behavior to perceptual observations. In a companion paper, we discuss further perceptual experiments regarding the role of surface reconstruction in the human recovery of 3--D structure from motion.

The Three-Dimensional Interpretation of a Class of Simple Line-Drawings

We provide a theory of the three-dimensional interpretation of a class of line-drawings called p-images, which are interpreted by the human vision system as parallelepipeds ("boxes"). Despite their simplicity, p-images raise a number of interesting vision questions: *Why are p-images seen as three-dimensional objects? Why not just as flatimages? *What are the dimensions and pose of the perceived objects? *Why are some p-images interpreted as rectangular boxes, while others are seen as skewed, even though there is no obvious distinction between the images? *When p-images are rotated in three dimensions, why are the image-sequences perceived as distorting objects---even though structure-from-motion would predict that rigid objects would be seen? *Why are some three-dimensional parallelepipeds seen as radically different when viewed from different viewpoints? We show that these and related questions can be answered with the help of a single mathematical result and an associated perceptual principle. An interesting special case arises when there are right angles in the p-image. This case represents a singularity in the equations and is mystifying from the vision point of view. It would seem that (at least in this case) the vision system does not follow the ordinary rules of geometry but operates in accordance with other (and as yet unknown) principles.

Recovery of Three-Dimensional Objects from Single Perspective Images

Any three-dimensional wire-frame object constructed out of parallelograms can be recovered from a single perspective two-dimensional image. A procedure for performing the recovery is given.