Morphogenesis of defects and tactoids during isotropic-nematic phase transition in self-assembled lyotropic chromonic liquid crystals

We explore the structure of nuclei and topological defects in the first-order phase transition between the nematic (N) and isotropic (I) phases in lyotropic chromonic liquid crystals (LCLCs). The LCLCs are formed by self-assembled molecular aggregates of various lengths and show a broad biphasic region. The defects emerge as a result of two mechanisms. 1) Surface anisotropy mechanism that endows each N nucleus (tactoid) with topological defects thanks to preferential (tangential) orientation of the director at the closed I-N interface, and 2) Kibble mechanism with defects forming when differently oriented N tactoids merge with each other. Different scenarios of phase transition involve positive (N-in-I) and negative (I-in-N) tactoids with non-trivial topology of the director field and also multiply connected tactoids-in-tactoids configurations. The closed I-N interface limiting a tactoid shows a certain number of cusps; the lips of the interface on the opposite sides of the cusp make an angle different from pi. The N side of each cusp contains a point defect-boojum. The number of cusps shows how many times the director becomes perpendicular to the I-N interface when one circumnavigates the closed boundary of the tactoid. We derive conservation laws that connect the number of cusps c to the topological strength m of defects in the N part of the simply-connected and multiply-connected tactoids. We demonstrate how the elastic anisotropy of the N phase results in non-circular shape of the disclination cores. A generalized Wulff construction is used to derive the shape of I and N tactoids as the function of I-N interfacial tension anisotropy in the frozen director field of various topological charges m. The complex shapes and structures of tactoids and topological defects demonstrate an important role of surface anisotropy in morphogenesis of phase transitions in liquid crystals.Comment: 31 pages, 13 figure

Quantitative structural mechanobiology of platelet-driven blood clot contraction.

Blood clot contraction plays an important role in prevention of bleeding and in thrombotic disorders. Here, we unveil and quantify the structural mechanisms of clot contraction at the level of single platelets. A key elementary step of contraction is sequential extension-retraction of platelet filopodia attached to fibrin fibers. In contrast to other cell-matrix systems in which cells migrate along fibers, the "hand-over-hand" longitudinal pulling causes shortening and bending of platelet-attached fibers, resulting in formation of fiber kinks. When attached to multiple fibers, platelets densify the fibrin network by pulling on fibers transversely to their longitudinal axes. Single platelets and aggregates use actomyosin contractile machinery and integrin-mediated adhesion to remodel the extracellular matrix, inducing compaction of fibrin into bundled agglomerates tightly associated with activated platelets. The revealed platelet-driven mechanisms of blood clot contraction demonstrate an important new biological application of cell motility principles

Photoexcited electron and hole dynamics in semiconductor quantum dots: phonon-induced relaxation, dephasing, multiple exciton generation and recombination.

Photoexcited dynamics of electrons and holes in semiconductor quantum dots (QD), including phonon-induced relaxation, multiple exciton generation, fission and recombination (MEG, MEF and MER), were simulated by combining ab initio time-dependent density functional theory and non-adiabatic molecular dynamics. These nonequilibrium phenomena govern the optical properties and photoexcited dynamics of QDs, determining the branching between electronic processes and thermal energy losses. Our approach accounts for QD size and shape as well as defects, core-shell distribution, surface ligands and charge trapping, which significantly influence the properties of photoexcited QDs. The method creates an explicit time-domain representation of photoinduced processes and describes various kinetic regimes owing to the non-perturbative treatment of quantum dynamics. QDs of different sizes and materials, with and without ligands, are considered. The simulations provide direct evidence that the high-frequency ligand modes on the QD surface play a pivotal role in the electron-phonon relaxation, MEG, MEF and MER. The insights reported here suggest novel routes for controlling the photoinduced processes in semiconductor QDs and lead to new design principles for increasing the efficiencies of photovoltaic devices

Photometric Lunar Surface Reconstruction

Accurate photometric reconstruction of the Lunar surface is important in the context of upcoming NASA robotic missions to the Moon and in giving a more accurate understanding of the Lunar soil composition. This paper describes a novel approach for joint estimation of Lunar albedo, camera exposure time, and photometric parameters that utilizes an accurate Lunar-Lambertian reflectance model and previously derived Lunar topography of the area visualized during the Apollo missions. The method introduced here is used in creating the largest Lunar albedo map (16% of the Lunar surface) at the resolution of 10 meters/pixel

Model predictions of deformation, embolization and permeability of partially obstructive blood clots under variable shear flow

Thromboembolism, one of the leading causes of morbidity and mortality worldwide, is characterized by formation of obstructive intravascular clots (thrombi) and their mechanical breakage (embolization). A novel two-dimensional multi-phase computational model is introduced that describes active interactions between the main components of the clot, including platelets and fibrin, to study the impact of various physiologically relevant blood shear flow conditions on deformation and embolization of a partially obstructive clot with variable permeability. Simulations provide new insights into mechanisms underlying clot stability and embolization that cannot be studied experimentally at this time. In particular, model simulations, calibrated using experimental intravital imaging of an established arteriolar clot, show that flow-induced changes in size, shape and internal structure of the clot are largely determined by two shear-dependent mechanisms: reversible attachment of platelets to the exterior of the clot and removal of large clot pieces. Model simulations predict that blood clots with higher permeability are more prone to embolization with enhanced disintegration under increasing shear rate. In contrast, less permeable clots are more resistant to rupture due to shear rate-dependent clot stiffening originating from enhanced platelet adhesion and aggregation. These results can be used in future to predict risk of thromboembolism based on the data about composition, permeability and deformability of a clot under specific local haemodynamic conditions

Nematic twist-bend phase with nanoscale modulation of molecular orientation

A state of matter in which molecules show a long-range orientational order and no positional order is called a nematic liquid crystal. The best known and most widely used (for example, in modern displays) is the uniaxial nematic, with the rod-like molecules aligned along a single axis, called the director. When the molecules are chiral, the director twists in space, drawing a right-angle helicoid and remaining perpendicular to the helix axis; the structure is called a chiral nematic. Here using transmission electron and optical microscopy, we experimentally demonstrate a new nematic order, formed by achiral molecules, in which the director follows an oblique helicoid, maintaining a constant oblique angle with the helix axis and experiencing twist and bend. The oblique helicoids have a nanoscale pitch. The new twist-bend nematic represents a structural link between the uniaxial nematic (no tilt) and a chiral nematic (helicoids with right-angle tilt)

Prospects of a new antistaphylococcal drug batumin revealed by molecular docking and analysis of the complete genome sequence of the batumin-producer Pseudomonas batumici UCM B-321

Meticillin-resistant Staphylococcus aureus (MRSA) is a serious public health threat causing outbreaksof clinical infection around the world. Mupirocin is a promising anti-MRSA drug, however mupirocin-resistant strains of S. aureus are emerging at an increasing rate. The newly discovered antibiotic batuminmay contribute to anti-MRSA therapy. The objective of this work was to identify possible molecular targetsfor batumin as well as mechanisms of its antistaphylococcal activity using computational moleculardocking and by analysing the complete genome sequence of the batumin-producer Pseudomonas batumiciUCM B-321. It was found that batumin acted very similarly to mupirocin by inhibiting aminoacyl tRNAsynthetases. A previous hypothesis considering the trans-enoyl-CoA reductase FabI as a prime moleculartarget of batumin was rejected. However, indirect inhibition of fatty acid biosynthesis in sensitive bacteriadoes take place as a part of stringent response repression triggered by accumulation of uncharged tRNAmolecules. Paralogues of diverse leucine-tRNA synthetases in the genome of P. batumici indicated that thisprotein might be the prime target of batumin. A batumin biosynthesis operon comprising 28 genes wasfound to be acquired through horizontal gene transfer. It was hypothesised that, in contrast to mupirocin,batumin could inhibit a broader range of aminoacyl tRNA synthetases and that acquired resistance tomupirocin might not endow S. aureus strains with resistance against batumin.The grant #86941 provided by the National Research Foundation (NRF) of South Africa.http://www.elsevier.com/locate/ijantimicag2017-01-30hb201

Evidence for strong electron-phonon coupling and polarons in the optical response of La_{2-x}Sr_xCuO_4

The normal state optical response of La_{2-x}Sr_xCuO_4 is found to be consistent with a simple multi-component model, based on free carriers with strong electron-phonon interaction, localized polaronic states near 0.15 eV and a mid-infrared band at 0.5 eV. Normal state reflectance and absorbance of La_{1.83}Sr_{0.17}CuO_4 are investigated and their temperature dependence is explained. Both, the ac and dc response are recovered and the quasi-linear behavior of the optical scattering rate up to 3000- 4000 cm^{-1} is found to be consistent with strong electron-phonon interaction, which also accounts for the value of T_c. Although not strictly applicable in the superconducting state, our simple model accounts for the observed penetration depth and the optical response below T_c can be recovered by introducing a small amount of additional carriers. Our findings suggest that the optical response of La_{2-x}Sr_xCuO_4 could be explained both, in the normal and superconducting state, by a simple multi-fluid model with strong electron-phonon interaction if the gap symmetry and the temperature dependence of the 0.5 eV mid-infrared band are adequately taken into account.Comment: 22 pages, REVTeX, 12 figures in ps-fil