Nucleotide-dependent lateral and longitudinal interactions in microtubules.

Microtubule (MT) stability is related to the hydrolysis of the guanosine triphosphate nucleotide (NT) bound to β-tubulin. However, the molecular mechanism by which the NT state influences the stability of the contacts in the MT lattice remains elusive. Here, we present large-scale atomistic simulations of different tubulin aggregates, including individual dimers, short protofilaments, a small lattice patch, and a piece of the MT lattice with two infinite protofilaments in both NT states.

Bottom-up synthesis of Zn(1.7)GeN(1.8)O nanoparticles for photocatalytic application.

Via a simple bottom-up approach, a complex quaternary oxynitride system (Zn1.7GeN1.8O) was prepared in the form of small nanoparticles (d~ 15 nm), which were stable and morphologically well-defined.

Emulsion-templated macroporous carbons synthesized by hydrothermal carbonization and their application for the enzymatic oxidation of glucose.

Carbon-based monoliths have been designed using a simple synthetic pathway based on using high internal phase emulsion (HIPE) as a soft template to confine the polymerization and hydrothermal carbonization of saccharide derivatives (furfural) and phenolic compounds (phloroglucinol). Monosaccharides can be isolated from the cellulosic fraction of lignocellulosic biomass and phloroglucinol can be extracted from the bark of fruit trees; however, this approach constitutes an interesting sustainable synthetic route. The macroscopic characteristics can be easily modulated; a high macroporosity and total pore volume of up to 98 % and 18 cm(3)g(-1) have been obtained, respectively.

Effect of tension and curvature on the chemical potential of lipids in lipid aggregates.

Understanding the factors that influence the free energy of lipids in bilayer membranes is an essential step toward understanding exchange processes of lipids between membranes. In general, both lipid composition and membrane geometry can affect lipid exchange rates between bilayer membranes. Here, the free energy change ΔG(des) for the desorption of dipalmitoyl-phosphatidylcholine (DPPC) lipids from different lipid aggregates has been computed using molecular dynamics simulations and umbrella sampling.

Carbohydrate-derived hydrothermal carbons: a thorough characterization study.

Hydrothermal carbonization (HTC) is an aqueous-phase route to produce carbon materials using biomass or biomass-derived precursors. In this paper, a comprehensive physicochemical and textural characterization of HTC materials obtained using four different precursors, namely, xylose, glucose, sucrose, and starch, is presented. The development of porosity in the prepared HTC materials as a function of thermal treatment (under an inert atmosphere) was specifically monitored using N(2) and CO(2) sorption analysis.

Snowballing radical generation leads to ultrahigh molecular weight polymers.

Styrene is the classical monomer obeying zero-one kinetics in radical emulsion polymerization. Accordingly, particles that are less than 100 nm in diameter contain either one or no growing radical(s). We describe a unique photoinitiated polymerization reaction accelerated by snowballing radical generation in a continuous flow reactor.

Continuous synthesis and purification by direct coupling of a flow reactor with simulated moving-bed chromatography.

Continuous synthesis meets continuous purification to produce pure products from crude reaction mixtures. In the nucleophilic aromatic substitution of 2,4-difluoronitrobenzene with morpholine the desired monosubstituted product can be continuously separated from the byproducts in a purity of over 99 % by coupling a flow reactor to a simulated moving bed (SMB) chromatography module.

Renewable nitrogen-doped hydrothermal carbons derived from microalgae.

Nitrogen-doped carbon materials are synthesized via an effective, sustainable, and green one-step route based on the hydrothermal carbonization of microalgae with high nitrogen content (ca. 11 wt %). The addition of the monosaccharide glucose to the reaction mixture is found to be advantageous, enhancing the fixation of nitrogen in the synthesized carbons, resulting in materials possessing nitrogen content in excess of 7 wt %, and leading to promising reaction yields.

Encapsulation, release and applications of LbL polyelectrolyte multilayer capsules.

Ever since their invention in 1998, polyelectrolyte multilayer micro- and nano-capsules have impacted various areas of biology, chemistry and physics. Here we highlight progress achieved since the millennium in the areas of encapsulation in and release from microcapsules, describe various structures including multicompartment and anisotropic constructs, and provide examples of several applications in biology. We also describe application areas such as drug delivery, intracellular trafficking, enzyme-catalyzed reactions, mechano-biology which benefited from recent developments in the area of polyelectrolyte multilayer capsules.

Growth of mesoporous silica nanoparticles monitored by time-resolved small-angle neutron scattering.

Since the first development of surfactant-templated mesoporous silicas, the underlying mechanisms behind the formation of their structures have been under debate. Here, for the first time, time-resolved small-angle neutron scattering (tr-SANS) is applied to study the complete formation of mesoporous silica nanoparticles. A distinct advantage of this technique is the ability to detect contributions from the whole system, enabling the visualization not only of particle genesis and growth but also the concurrent changes to the coexistent micelle population.

A possible oligosaccharide-conjugate vaccine candidate for Clostridium difficile is antigenic and immunogenic.

Nosocomial infections with the Gram-positive pathogen Clostridium difficile pose a major risk for hospitalized patients and result in significant costs to health care systems. Here, we present the chemical synthesis of a PS-II hapten of a cell wall polysaccharide of hypervirulent ribotype 027 of C. difficile.

Detection of bacteria using glyco-dendronized polylysine prepared by continuous flow photofunctionalization.

Biocompatible glyco-dendronized poly-l-lysine (PLL) polymers carry either three or nine mannose- or galactose-bearing dendrons that selectively bind, and thus can be used to detect, bacteria. Central to the synthesis of glyco-dendronized polymers was the development of a continuous flow [2 + 2] photocycloaddition reaction to connect the dendrons and PLL. Glycodendronized polymers cluster bacteria by binding to cell-surface carbohydrate receptors and thereby result in an easy read-out using microscopic analyses.

Ionic physisorption on bubbles induced by pulsed ultra-sound.

Ion flotation processes involve the use of bubbles in order to separate ionic species from a mixed solution. Due to bubble interfaces we may assume null curvature at the molecular scale, where selective ion adsorption might be more easily investigated than with liquid-liquid extraction. In contrast to a classical flotation set-up, where bubbles are introduced via a glass frit, we use here a controlled sono-device generating cavitation bubbles which are initially absolutely clean.

Molecular analysis of carbohydrate-antibody interactions: case study using a Bacillus anthracis tetrasaccharide.

The process for selecting potent and effective carbohydrate antigens is not well-established. A combination of synthetic glycan microarray screening, surface plasmon resonance analysis, and saturation transfer difference NMR spectroscopy was used to dissect the antibody-binding surface of a carbohydrate antigen, revealing crucial binding elements with atomic-level detail. This analysis takes the first step toward uncovering the rules for structure-based design of carbohydrate antigens.

Carbon dioxide capture on amine-rich carbonaceous materials derived from glucose.

The synthesis of carbonaceous materials with a high surface density of amino functions for CO(2) sorption and sequestration is reported. The amino-rich carbonaceous materials are characterized by elemental analysis, N(2) sorption, scanning and transmission electron microscopy, zeta potential, TGA and FTIR measurements. A detailed discussion on the use of these materials in CO(2) capture is provided.

Iron-clad fibers: a metal-based biological strategy for hard flexible coatings.

The extensible byssal threads of marine mussels are shielded from abrasion in wave-swept habitats by an outer cuticle that is largely proteinaceous and approximately fivefold harder than the thread core. Threads from several species exhibit granular cuticles containing a protein that is rich in the catecholic amino acid 3,4-dihydroxyphenylalanine (dopa) as well as inorganic ions, notably Fe3+. Granular cuticles exhibit a remarkable combination of high hardness and high extensibility.

De novo synthesis of differentially protected L-iduronic acid glycosylating agents.

A divergent de novo synthesis of six differentially protected l-iduronic acid thioglycosides from a common advanced precursor is described. The key step of this synthetic sequence is the stereoselective elongation of dithioacetal protected C5-dialdehyde 11 via a highly diastereoselective MgBr(2).OEt(2)-mediated cyanation.

Porous carbohydrate-based materials via hard templating.

Among various techniques, the hydrothermal carbonization (HTC) of biomass (either isolated carbohydrates or crude plants) is a promising candidate for the synthesis of novel carbon-based materials with a wide variety of potential applications. In this Minireview, we discuss various synthetic routes towards such porous carbon-based materials or composites through the HTC process, using the nanocasting procedure. We focus on the synthesis of carbon materials with different pore systems and morphologies directed by the presence of various nanostructured inorganic sacrificial templates.

Core-shell particle interconversion with di-stimuli-responsive diblock copolymers.

Core-shell reversible particle precipitation from aqueous di-stimuli-responsive diblocks is demonstrated as also is the interconversion from one core-shell combination to the other.

Thermo-responsive columns for HPLC: The effect of chromatographic support and polymer molecular weight on the performance of the columns.

Recently a novel technique has been developed in chromatography, namely thermo-responsive chromatography. This employs the use of thermo-responsive polymers grafted onto pre-formed stationary phases for the separation of hydrophobic analytes. The resultant thermo-responsive silica exhibits temperature-controlled hydrophilic-hydrophobic properties.

The fusion of membranes and vesicles: pathway and energy barriers from dissipative particle dynamics.

The fusion of lipid bilayers is studied with dissipative particle dynamics simulations. First, to achieve control over membrane properties, the effects of individual simulation parameters are studied and optimized. Then, a large number of fusion events for a vesicle and a planar bilayer are simulated using the optimized parameter set.