Search results for "MBL"

Folding induced supramolecular assembly into pH-responsive nanorods with a protein repellent shell

2018

We report the synthesis of ABA' triblock peptide-polysarcosine-peptide conjugates featuring two complementary phenylalanine-histidine pentapeptide strands A/A'. These sequences encode for antiparallel beta-sheet formation into folded conjugates, which promote the self-assembly into polysarcosine-shielded core-shell nanorods. These do not cause aggregation of serum proteins in human blood plasma underlining an enhanced stability.

TBSSvis: Visual Analytics for Temporal Blind Source Separation

2020

Temporal Blind Source Separation (TBSS) is used to obtain the true underlying processes from noisy temporal multivariate data, such as electrocardiograms. TBSS has similarities to Principal Component Analysis (PCA) as it separates the input data into univariate components and is applicable to suitable datasets from various domains, such as medicine, finance, or civil engineering. Despite TBSS’s broad applicability, the involved tasks are not well supported in current tools, which offer only text-based interactions and single static images. Analysts are limited in analyzing and comparing obtained results, which consist of diverse data such as matrices and sets of time series. Additionally, p…

Monte Carlo Methods for the Sampling of Free Energy Landscapes

2019

In this chapter, we return to classical statistical mechanics, wherein the canonical ensemble averages of an observable \(A(\overrightarrow{x})\), where \(\overrightarrow{x} \) stands symbolically for the “microstate” coordinate in the configurational part of the phase space of the system, are given by (cf. Sect. 2.1.1)

Parallelized short read assembly of large genomes using de Bruijn graphs

2011

Abstract Background Next-generation sequencing technologies have given rise to the explosive increase in DNA sequencing throughput, and have promoted the recent development of de novo short read assemblers. However, existing assemblers require high execution times and a large amount of compute resources to assemble large genomes from quantities of short reads. Results We present PASHA, a parallelized short read assembler using de Bruijn graphs, which takes advantage of hybrid computing architectures consisting of both shared-memory multi-core CPUs and distributed-memory compute clusters to gain efficiency and scalability. Evaluation using three small-scale real paired-end datasets shows tha…

Kinetically Trapped Supramolecular Assembly of Perylene Dianhydride Derivative in Methanol: Optical Spectra, Morphology, and Mechanisms.

2016

Supramolecular self-assembly has attracted increasing attention as a breakthrough methodology in the fields of nanoscience and nanotechnology. Herein, a perylene dianhydride derivative (TP-PDA) self-assembles into well-defined nanospheres through a nucleation-growth process. The mechanisms of this process were explored by using spectral analysis, dynamic light scattering (DLS), and scanning electron microscopy (SEM). In situ DLS and in situ SEM both revealed that the size of the aggregated nanospheres increases with time until the formation of equilibrium H-aggregates. This shows that TP-PDA undergoes a kinetically trapped assembly with a rapid transformation into the thermodynamically favo…

The key role of hydrogen bonding in the nuclearity of three copper(II) complexes with hydrazone-derived ligands and nitrogen donor heterocycles

2011

International audience; Three new Cu(II) complexes of formula [Cu(L1)(pyz)(CH3OH)]ClO4 (1), [Cu(L1)(4,4′-bpy)(ClO4)]·0.5H2O (2) and [{Cu(L2)(ClO4)}2(μ-4,4′-bpy)] (3) have been synthesised by using pyrazine (pyz) and 4,4′-bipyridine (4,4′-bpy) and tridentate O,N,O-donor hydrazone ligands, L1H and L2H, obtained by the condensation of 1,1,1-trifluoro-2,4-pentanedione with salicyloylhydrazide and benzhydrazide, respectively. The ligands and their complexes have been characterized by elemental analyses, FT-IR, and UV–Vis spectroscopies. Single crystal X-ray structure analysis evidences the metal ion in a slightly deformed square pyramidal geometry in all the complexes. However complexes 1 and 2 …

Reversible Supracolloidal Self-Assembly of Cobalt Nanoparticles to Hollow Capsids and Their Superstructures

2017

| openaire: EC/FP7/291364/EU//MIMEFUN The synthesis and spontaneous, reversible supracolloidal hydrogen bond-driven self-assembly of cobalt nanoparticles (CoNPs) into hollow shell-like capsids and their directed assembly to higher order superstructures is presented. CoNPs and capsids form in one step upon mixing dicobalt octacarbonyl (Co2CO8) and p-aminobenzoic acid (pABA) in 1,2-dichlorobenzene using heating-up synthesis without additional catalysts or stabilizers. This leads to pABA capped CoNPs (core ca. 5nm) with a narrow size distribution. They spontaneously assemble into tunable spherical capsids (d≈50-200nm) with a few-layered shells, as driven by inter-nanoparticle hydrogen bonds th…

Self-Assembled Hydrogen-Bonded Dimeric Capsules with High Kinetic Stability

2000

Exploring the 2,2′-Diamino-5,5′-bipyrimidine Hydrogen-Bonding Motif: A Modular Approach to Alkoxy-Functionalized Hydrogen-Bonded Networks

1998

The programmed self-association of 2,2’-diamino-4,4’-dialkoxy-5,5’-bipyrimidines allows for the de novo construction of alkoxy-functionalized H-bonded ribbons and sheets as evidenced by X-ray crystallographic analysis. The data provide insight into the interplay of the different structural and interactional features of the molecular components to the generation of the supramolecular assembly. Hydrophobicity of the didodecyl side chains of 4c leads to the dominance of the H-bonding factor, resulting in the formation of a fully interconnected array. These results define the utility of the of 2,2’-diamino-4,4’-dialkoxy-5,5’-bipyrimidines as a potential scaffold for the attachment of electro- o…

"Comment on ""Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly"" by M. Olivari, …

2014

We propose another point of view on the type of hydrogen bonded complexes that were described in this journal (M. Olivari et al., New J. Chem., 2013, 37, 663). The main difference is the molecular geometry and breakage of the intramolecular hydrogen bond during association. The current comment is to highlight mentioned aspects and to point out that in some cases the interpretation may not be straightforward due to the simultaneous effects associated with complexation.