Mass spectrometric analysis of the individual variability of Bothrops jararaca venom peptide fraction. Evidence for sex-based variation among the bradykinin-potentiating peptides

Variation in the snake venom proteome is well documented and it is a ubiquitous phenomenon at all taxonomical levels. However, variation in the snake venom peptidome is so far not described. In this work we used mass spectrometry [liquid chromatography/mass spectrometry (LC/MS) and matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOFMS)] to explore sex-based differences among the venom peptides of eighteen sibling specimens of Bothrops jararaca of a single litter born and raised in the laboratory. MALDI-TOFMS analyses showed individual variability among the bradykinin-potentiating peptides (BPPs), and, interestingly, four new peptides were detected only in female venoms and identified by de novo sequencing as cleaved BPPs lacking the C-terminal Q-I-P-P sequence. Similar results were obtained with venom from wild-caught adult non-sibling specimens of B. jararaca and in this case we were able to identify the gender of the specimen by analyzing the MALDI-TOF profile of the peptide fraction and finding the cleaved peptides only in female venoms. Synthetic replicates of the cleaved BPPs were less potent than the full-length BPP-10c in potentiating the bradykinin hypotensive effect, suggesting that the C-terminus is critical for the interaction of the BPPs with their mammalian molecular targets. This work represents a comprehensive mass spectrometric analysis of the peptide fraction of B. jararaca venom and shows for the first time sex-based differences in the snake venom peptidome of sibling and non-sibling snakes and suggests that the BPPs may follow distinct processing pathways in female and male individuals.     

Partitions of a graph into paths with prescribed endvertices and lengths

For a graph G, let σ₂(G) denote the minimum degree sum of a pair of nonadjacent vertices. We conjecture that if |V(G)| = n = Σ^k_{i = 1} a_i and σ₂(G) ≥ n + k − 1, then for any k vertices v₁, v₂,…, v_k in G, there exist vertex‐disjoint paths P₁, P₂,…, P_k such that |V(P_i)| = a_i and v_i is an endvertex of P_i for 1 ≤ i ≤ k. In this paper, we verify the conjecture for the cases where almost all a_i ≤ 5, and the cases where k ≤ 3. © 2000 John Wiley & Sons, Inc. J Graph Theory 34: 163–169, 2000     

A degree condition for the existence of regular factors in K1, n-free graphs

A graph is called K_{1, n}-free if it contains no K_{1, n} as an induced subgraph. Let n(≥3), r be integers (if r is odd, r ≥ n − 1). We prove that every K_{1, n}-free connected graph G with r|V(G)| even has an r-factor if its minimum degree is at least. $ \left(n+{{n-1}\over{r}}\right) \left\lceil {n\over{2(n-1)}}r \right\rceil - {{n-1}\over{r}}\left(\left\lceil {n\over{2(n-1)}}r \right\rceil \right)^2+n-3. $ This degree condition is sharp. © 1996 John Wiley & Sons, Inc.     

Macromolecule complex for advanced optoelectronic devices

This paper describes reviews about characterizations of optical and electronic (opto-electronic) organic materials including macromolecule complex, and their applications for advanced key devices used for computers and communications technologies. On the basis of the author's recent investigations, discussions are made on organic electroluminescent thin film materials for emissive display devices, polymer dispersed liquid-crystal materials for passive display devices, organic photoconductive materials for electrophotographic printer devices, and highly electroconductive polymers for solid tantalum capacitors. Finally, the technical issues and development prospects for the opto-electronic organic materials in the 21st century are suggested.     

Simulation of space acquisition process of pedestrians using Proxemic Floor Field Model

We propose the Proxemic Floor Field Model as an extension of the Floor Field Model, which is one of the successful models describing pedestrian dynamics. Proxemic Floor Field is the Floor Field which corresponds to the effect of repulsion force between others. By introducing the Proxemic Floor Field and threshold, we investigate the process that pedestrian enters a certain area. The results of simulations are evaluated by simple approximate analyses and newly introduced indices. The difference in pedestrian behavior due to the disposition of the entrance is also confirmed, namely, the entrance in the corner of the area leads to the long entrance time because of the obstruction by pedestrians settling on the boundary cells.     

Effect of real-time information upon traffic flows on crossing roads

The effect of real-time information on the traffic flows of the crossing roads is studied by simulations based on a cellular automaton model. At the intersection, drivers have to enter a road of a shorter trip-time, by making a turn if necessary, as indicated on the information board. Dynamics of the traffic are expressed as a return map in the density-flow space. The traffic flow is classified into six phases, as a function of the car density. It is found that such a behavior of drivers induces too much concentration of cars on one road and, as a result, causes oscillation of the flow and the density of cars on both roads. The oscillation usually results in a reduced total flow, except for the cases of high car density.     

Switching of macromolecular helicity of optically active poly(phenylacetylene)s bearing cyclodextrin pendants induced by various external stimuli

A series of novel phenylacetylenes bearing optically active cyclodextrin (CyD) residues such as alpha-, beta-, and gamma-CyD and permethylated beta-CyD residues as the pendant groups was synthesized and polymerized with a rhodium catalyst to give highly cis-transoidal poly(phenylacetylene)s, poly-1alpha, poly-2beta, poly-3gamma, and poly-2beta-Me, respectively. The polymers exhibited an induced circular dichroism (CD) in the UV-visible region of the polymer backbones, resulting from the prevailing one-handed helical conformations. The Cotton effect signs were inverted in response to external chiral and achiral stimuli, such as temperature, solvent, and interactions with chiral or achiral guest molecules. The inversion of the Cotton effect signs was accompanied by a color change due to a conformational change, such as inversion of the helicity of the polymer backbones with a different twist angle of the conjugated double bonds, that was readily visible with the naked eye and could be quantified by absorption and CD spectroscopies. The dynamic helical conformations of poly-2beta showing opposite Cotton effect signs in different solvents could be further fixed by intramolecular cross-linking between the hydroxy groups of the neighboring beta-CyD units in each solvent. The cross-link between the pendant CyD units suppressed the inversion of the helicity; therefore, the cross-linked poly-2betas showed no Cotton effect inversion, although the polymer backbones were still flexible enough to alter their helical pitch with the same handedness, resulting in a color change depending on the degree of intramolecular cross-linking.     

Angle-dependent terahertz time-domain spectroscopy of amino acid single crystals

The measurement of absorption spectra using angle-dependent terahertz (THz) time-domain spectroscopy for amino acid single crystals of l-cysteine and l-histidine is reported for the first time. Linearly polarized THz radiation enables us to observe angle-dependent far-infrared absorption spectra of amino acid single crystals and determine the direction of the oscillating dipole of the molecules in the 20-100 cm(-1) range. By comparing the THz spectra of a single crystal and powder, we found that there was a clear hydrogen-bond peak in the crystal spectrum as a result of the larger hydrogen-bond network. The low-temperature THz spectra of amino acid microcrystals showed more intermolecular vibrational modes than those measured at room temperature. An ab initio frequency calculation of a single amino acid molecule was used to predict the intramolecular vibrational modes. The validity of the calculation models was confirmed by comparing the results with experimentally obtained data in the Raman spectral region.