Fluorescent small molecule probe to modulate and explore α2β1 integrin function

Collagen binding integrins are an important family of cell surface receptors that mediate bidirectionally signals between the interior of the cell and the extracellular matrix. The protein-protein interactions between cells and collagen are necessary for many physiological functions, but also promote diseases. For example, the interaction of α2β1 integrin and collagen has been shown to have an important role in thrombus formation and cancer spread. The fact that the discovery of small molecules that can block such protein-protein interactions is highly challenging has significantly hindered the discovery of pharmaceutical agents to treat these diseases. Here, we present a rationally designed novel fluorescent molecule that can be synthesized in just a few minutes from commercially available starting materials. This molecule blocks the protein-protein interaction between α2β1 integrin and collagen, and due to its fluorescent properties, it can be employed in wide variety of biological applications.     

Nanostructures increase water droplet adhesion on hierarchically rough superhydrophobic surfaces

Hierarchical roughness is known to effectively reduce the liquid-solid contact area and water droplet adhesion on superhydrophobic surfaces, which can be seen for example in the combination of submicrometer and micrometer scale structures on the lotus leaf. The submicrometer scale fine structures, which are often referred to as nanostructures in the literature, have an important role in the phenomenon of superhydrophobicity and low water droplet adhesion. Although the fine structures are generally termed as nanostructures, their actual dimensions are often at the submicrometer scale of hundreds of nanometers. Here we demonstrate that small nanometric structures can have very different effect on surface wetting compared to the large submicrometer scale structures. Hierarchically rough superhydrophobic TiO(2) nanoparticle surfaces generated by the liquid flame spray (LFS) on board and paper substrates revealed that the nanoscale surface structures have the opposite effect on the droplet adhesion compared to the larger submicrometer and micrometer scale structures. Variation in the hierarchical structure of the nanoparticle surfaces contributed to varying droplet adhesion between the high- and low-adhesive superhydrophobic states. Nanoscale structures did not contribute to superhydrophobicity, and there was no evidence of the formation of the liquid-solid-air composite interface around the nanostructures. Therefore, larger submicrometer and micrometer scale structures were needed to decrease the liquid-solid contact area and to cause the superhydrophobicity. Our study suggests that a drastic wetting transition occurs on superhydrophobic surfaces at the nanometre scale; i.e., the transition between the Cassie-Baxter and Wenzel wetting states will occur as the liquid-solid-air composite interface collapses around nanoscale structures. Consequently, water adheres tightly to the surface by penetrating into the nanostructure. The droplet adhesion mechanism presented in this paper gives valuable insight into a phenomenon of simultaneous superhydrophobicity and high water droplet adhesion and contributes to a more detailed comprehension of superhydrophobicity overall.     

Quantum number transfer and overlap calculations

The relationship between Regge behaviour of two-body amplitudes and quantum number exchange in multiparticle production is analyzed. An exact bound on the elastic forward peak in terms of inclusive p_⊥ correlations is given. Another result is that one cannot obtain α′_? > α′_P from overlap calculations, using only the present inclusive data as input.     

On the charge structure of high-energy multiple production

Correlations between neutral and charged particles produced in high-energy collisions are studied. The associated average multiplicity 〈n₀〉_n and the associated moment (f₂⁰⁰) are expressed in terms of the Mueller moments. An isospin analysis of the pion - pion correlations is performed with the help of Mueller-Regge techniques. From this analysis, the slope of 〈n₀〉_n? is predicted to be asymptotically about 0.75. This asymptotic limit should be approached already at ISR energies. Finally, predictions are given for the associated moment (f₂⁰⁰)_n?, and the importance of the measurements of this quantity is emphasized.     

CoMFA modeling of enzyme kinetics: K(m) values for sulfation of diverse phenolic substrates by human catecholamine sulfotransferase SULT1A3

Three-dimensional QSAR models were developed for predicting kinetic Michaelis constant (K(m)) values for phenolic substrates of human catecholamine sulfating sulfotransferase (SULT1A3). The K(m) values were correlated to the steric and electronic molecular fields of the substrates utilizing Comparative Molecular Field Analysis (CoMFA). The evaluated SULT1A3 substrate data set consisted of 95 different substituted phenols, catechols, catecholamines, steroids, and related structures for which the K(m) values were available. The data set was divided in three different subgroups in the initial analysis: (1). for the first CoMFA model substrates with only one reacting hydroxyl group were selected (n = 51), (2).the second model was build with structurally rigid substrates (n = 59), and (3). finally all substrates of the data set were included in the analysis (n = 95). Substrate molecules were aligned using the aromatic ring and the reacting hydroxyl group as a template. After the initial analysis different substrate alignment rules based on the existing knowledge of the SULT1A3 active site structure were evaluated. After this optimization a final CoMFA model was built including all 95 substrates of the data set. Cross-validated q(2) values (leave-one-out and leave-n-out) and coefficient contour maps were calculated for all derived CoMFA models. All four CoMFA models were statistically significant with q(2) values up to 0.624. These predictive QSAR models will provide us information about the factors that affect substrate binding at the active site of human catecholamine sulfotransferase SULT1A3.     

Atmospheric chemistry of C3-C6 cycloalkanecarbaldehydes

The rate coefficients for the gas phase reaction of NO3 and OH radicals with a series of cycloalkanecarbaldehydes have been measured in purified air at 298 +/- 2 K and 760 +/- 10 Torr by the relative rate method using a static reactor equipped with long-path Fourier transform infrared (FT-IR) detection. The values obtained for the OH radical reactions (in units of 10(-11) cm3 molecule(-1) s(-1)) were the following: cyclopropanecarbaldehyde, 2.13 +/- 0.05; cyclobutanecarbaldehyde, 2.66 +/- 0.06; cyclopentanecarbaldehyde, 3.27 +/- 0.07; cyclohexanecarbaldehyde, 3.75 +/- 0.05. The values obtained for the NO3 radical reactions (in units of 10(-14) cm3 molecule(-1) s(-1)) were the following: cyclopropanecarbaldehyde, 0.61 +/- 0.04; cyclobutanecarbaldehyde, 1.99 +/- 0.06; cyclopentanecarbaldehyde, 2.55 +/- 0.10; cyclohexanecarbaldehyde, 3.19 +/- 0.12. Furthermore, the reaction products with OH radicals have been investigated using long-path FT-IR spectroscopy and proton-transfer-reaction mass spectrometry (PTR-MS). The measured carbon balances were in the range 89-97%, and the identified products cover a wide spectrum of compounds including nitroperoxycarbonyl cycloalkanes, cycloketones, cycloalkyl nitrates, multifunctional compounds containing carbonyl, hydroxy, and nitrooxy functional groups, HCOOH, HCHO, CO, and CO2.     

High actuation performance offered by simple diene rubbers

Dielectric elastomers are materials well known for their superior actuation behavior under applied electric field. The simplicity of material fabrication and clear working principle of dielectric elastomer actuators (DEAs) can offer various applications of dielectric elastomers. In this work, we have compared a number of different types of commercially available elastomers in terms of actuation performance. It was found that well‐known commercial rubbers like acrylonitrile‐butadiene rubbers (NBR) can offer higher actuation performance in DEAs than the frequently used dielectric elastomers, such as acrylic rubber and silicone. The acrylonitrile content of the NBR was found to play an important role in the dielectric and consequently actuation properties. More interestingly, we observed that addition of organic oil, such as dioctyl adipate, can greatly enhance the actuation performance. Copyright © 2016 John Wiley & Sons, Ltd.     

Photoacoustic Gas Analysis Using Interferometric Cantilever Microphone

Theoretical considerations and a simple but realistic model of the function of the cantilever‐based photoacoustic trace gas system are presented. The essential features of the cantilever dynamics, thermal characteristics, and noise models are derived. Some other related constructions are shown with the practical implementations of the real system.     

A careful look at the importance of criteria and weights

We investigate the connection between weights, scales, and the importance of criteria, when a linear value function is assumed to be a suitable representation of a decision maker’s preferences. Our considerations are based on a simple two-criteria experiment, where the participants were asked to indicate which of the criteria was more important, and to pairwise compare a number of alternatives. We use the participants’ pairwise choices to estimate the weights for the criteria in such a way that the linear value function explains the choices to the extent possible. More specifically, we study two research questions: (1) is it possible to find a general scaling principle that makes the rank order of the importance of criteria consistent with the rank order of the magnitudes of the weights, and (2) how good is a simple, direct method of asking the decision maker to “provide” weights for the criteria compared to our estimation procedure. Our results imply that there is reason to question two common beliefs, namely that the values of the weights would reflect the importance of criteria, and that people could reliably “provide” such weights without estimation.