Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens.

ABSTRACT: We demonstrate that liquid additives can exert inhibitive or prohibitive effects on the mechanochemical formation of multi-component molecular crystals, and report that certain additives unexpectedly prompt the dismantling of such solids into physical mixtures of their constituents. Computational methods were employed in an attempt to identify possible reasons for these previously unrecognised effects of liquid additives on mechanochemical transformations.

SUBMITTER: Arhangelskis M

PROVIDER: S-EPMC8179350 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens.

Arhangelskis Mihails M Bučar Dejan-Krešimir DK Bordignon Simone S Chierotti Michele R MR Stratford Samuel A SA Voinovich Dario D Jones William W Hasa Dritan D

Chemical science 20210120 9

We demonstrate that liquid additives can exert inhibitive or prohibitive effects on the mechanochemical formation of multi-component molecular crystals, and report that certain additives unexpectedly prompt the dismantling of such solids into physical mixtures of their constituents. Computational methods were employed in an attempt to identify possible reasons for these previously unrecognised effects of liquid additives on mechanochemical transformations. ...[more]

PMID: 34164095

Similar Datasets

Chirally Reversed Graphene Oxide Liquid Crystals.

Project description:Colloidal liquid crystals (LCs) formed by nanoparticles hold great promise for creating new structures and topologies. However, achieving highly ordered hierarchical architectures and stable topological configurations is extremely challenging, mainly due to the liquid-like fluidity of colloidal LCs in nature. Herein, an innovative synchronous nanofluidic rectification (SNR) technique for generating ultralong graphene oxide (GO) liquid crystal (GOLC) fibers with hierarchical core-skin architectures is presented, in which the GO sheet assemblies and hydrogel skin formation are synchronous. The SNR technique conceptually follows two design principles: horizontal polymer-flow promotes the rapid planar alignment of GO sheets and drives the chiral-reversing of cholesteric GOLCs, and in situ formed hydrogel skin affords some protection against environmental impact to maintain stable topological configurations. Importantly, the dried fibers retain the smooth surface and ordered internal structures, achieving high mechanical strength and flexibility. The linear and circular polarization potential of GOLC fibers are demonstrated for optical sensing and recognition. This work may open an avenue toward the scalable manufacture of uniform and robust, yet highly anisotropic, fiber-shaped functional materials with complex internal architectures.

| S-EPMC7435251 | biostudies-literature

From amines to (form)amides: a simple and successful mechanochemical approach.

Project description:Two easily accessible routes for preparing an array of formylated and acetylated amines under mechanochemical conditions are presented. The two methodologies exhibit complementary features as they enable the derivatization of aliphatic and aromatic amines.

| S-EPMC9490066 | biostudies-literature

Modifying current thin-film microextraction (TFME) solutions for analyzing prohibited substances: Evaluating new coatings using liquid chromatography.

Project description:For identifying and quantifying prohibited substances, solid-phase microextraction (SPME) continues to arouse interest as a sample preparation method. However, the practical implementation of this method in routine laboratory testing is currently hindered by the limited number of coatings compatible with the ubiquitous high-performance liquid chromatography (HPLC) systems. Only octadecyl (C18) and polydimethylsiloxane/divinylbenzene ligands are currently marketed for this purpose. To address this situation, the present study evaluated 12 HPLC-compatible coatings, including several chemistries not currently used in this application. The stationary phases of SPME devices in the geometry of thin film-coated blades were prepared by applying silica particles bonded with various functional ligands (C18, octyl, phenyl-hexyl, 3-cyanopropyl, benzenesulfonic acid, and selected combinations of these), as well as unbonded silica, to a metal support. Most of these chemistries have not been previously used as microextraction coatings. The 48 most commonly misused substances were selected to assess the extraction efficacy of each coating, and eight desorption solvent compositions were used to optimize the desorption conditions. All samples were analyzed using an HPLC system coupled with triple quadrupole tandem mass spectrometry. This evaluation enables selection of the best-performing coatings for quantifying prohibited substances and investigates the relationship between extraction efficacy and the physicochemical characteristics of the analytes. Ultimately, using the most suitable coatings is essential for trace-level analysis of chemically diverse prohibited substances.

| S-EPMC9257446 | biostudies-literature

Mechanochemical Synthesis, Characterization and Reactivity of a Room Temperature Stable Calcium Electride.

Project description:A new calcium-based Room temperature Stable Electride (RoSE), K[{Ca[N(Mes)(SiMe3)]3(e-)}2K3] (2), is successfully synthesized from the reaction of a calcium tris-amide, [Ca{N(Mes)(SiMe3)}3K] (1) (Mes = 2,4,6-trimethylphenyl), with potassium under mechanochemical treatment. The dimeric structure of K[{Ca[N(Mes)(SiMe3)]3(e-)}2K3] is calculated using ab initio random structure searching (AIRSS) methods. This shows the existence of highly localized anionic electrons (e-) and suggests poor electrical conductance, as confirmed via electroconductivity measurements. The two anionic electrons in 2 are strongly antiferromagnetically coupled, thus in agreement with the largely diamagnetic response from magnetometry. Reaction of 2 with pyridine affords 4,4'-bipyridine, while reaction with benzene gives C-H activation and formation of a calcium hydride complex, [K(η6-C6H6)4][{Ca[N(Mes)(SiMe3)](H)}2K3] (3). Computational DFT analysis reveals the crucial role played by the ligand framework in the stabilization of this new Ca-hydride complex.

| S-EPMC11503782 | biostudies-literature

Poly(ethylene glycol)s as grinding additives in the mechanochemical preparation of highly functionalized 3,5-disubstituted hydantoins.

Project description:The mechanochemical preparation of highly functionalized 3,5-disubstituted hydantoins was investigated in the presence of various poly(ethylene) glycols (PEGs), as safe grinding assisting agents (liquid-assisted grinding, LAG). A comparative study under dry-grinding conditions was also performed. The results showed that the cyclization reaction was influenced by the amount of the PEG grinding agents. In general, cleaner reaction profiles were observed in the presence of PEGs, compared to dry-grinding procedures.

| S-EPMC5238572 | biostudies-literature

Determination of nine prohibited <i>N</i>-nitrosamines in cosmetic products by vortex-assisted dispersive liquid-liquid microextraction prior to gas chromatography-mass spectrometry.

Project description:An analytical method for the simultaneous determination of nine prohibited N-nitrosamines in cosmetic products is presented. N-nitrosamines are banned compounds in cosmetic products due to their harmful effects. Therefore, these compounds are not intentionally added to these products but, however, small amounts of them may be present due to unintentional causes, and thus sensitive methods for their analytical control are required. The proposed method is based on vortex-assisted dispersive liquid-liquid microextraction (VA-DLLME) to extract and preconcentrate the analytes, followed by gas chromatography-mass spectrometry (GC-MS) for their determination. The variables involved in the VA-DLLME process were optimized by using a Box-Behnken design and, due to the different polarity of the N-nitrosamines studied, several approaches for sample treatment were compared to achieve the best results. The method was successfully validated, showing a good linearity at least up to 20 ng mL-1, enrichment factors from 2 to 100 depending on the target analyte, limits of detection and quantification at the low μg kg-1 level, and good repeatability values (<13%). Finally, the proposed analytical method was applied to the determination of N-nitrosamines in commercial cosmetic samples of different nature, avoiding the matrix effect by means of standard addition calibration. Significant amounts of some of the N-nitrosamines, even exceeding the established regulatory limit, were found in the samples. The resulting method is fast, simple, and affordable to carry out the quality control of cosmetic products to ensure consumer safety for most laboratories.

| S-EPMC9850448 | biostudies-literature

Supramolecular polymers form tactoids through liquid-liquid phase separation.

Project description:Liquid-liquid phase separation (LLPS) of biopolymers has recently been shown to play a central role in the formation of membraneless organelles with a multitude of biological functions1-3. The interplay between LLPS and macromolecular condensation is part of continuing studies4,5. Synthetic supramolecular polymers are the non-covalent equivalent of macromolecules but they are not reported to undergo LLPS yet. Here we show that continuously growing fibrils, obtained from supramolecular polymerizations of synthetic components, are responsible for phase separation into highly anisotropic aqueous liquid droplets (tactoids) by means of an entropy-driven pathway. The crowding environment, regulated by dextran concentration, affects not only the kinetics of supramolecular polymerizations but also the properties of LLPS, including phase-separation kinetics, morphology, internal order, fluidity and mechanical properties of the final tactoids. In addition, substrate-liquid and liquid-liquid interfaces proved capable of accelerating LLPS of supramolecular polymers, allowing the generation of a myriad of three-dimensional-ordered structures, including highly ordered arrays of micrometre-long tactoids at surfaces. The generality and many possibilities of supramolecular polymerizations to control emerging morphologies are demonstrated with several supramolecular polymers, opening up a new field of matter ranging from highly structured aqueous solutions by means of stabilized LLPS to nanoscopic soft matter.

| S-EPMC10901743 | biostudies-literature

Reversed Phase-Liquid Chromatography for Recombinant AAV Genome Integrity Assessment.

Project description:After decades of research, gene therapy products have reached market maturity in recent years. Recombinant adeno-associated viruses (rAAVs) are one of the most promising gene delivery vehicles and are currently under intense scientific investigation. These next-generation medicines remain very challenging when it comes to designing appropriate analytical techniques for quality control. One critical quality attribute is the integrity of ssDNA incorporated in these vectors. The genome is the active compound driving rAAV therapy and therefore requires proper assessment and quality control. Current techniques for rAAV genome characterization include next-generation sequencing, quantitative polymerase chain reaction, analytical ultracentrifugation (AUC), and capillary gel electrophoresis (CGE), yet each of them presents their limitations or lack of user-friendliness. In this work, we demonstrate for the first time the potential of ion pairing-reverse phase-liquid chromatography (IP-RP-LC) to characterize the integrity of rAAV genomes. The obtained results were supported by two orthogonal techniques, AUC and CGE. IP-RP-LC can be performed above DNA melting temperatures, avoiding the detection of secondary DNA isoforms, and does not require the use of dyes due to UV detection. We demonstrate that this technique is suitable for batch comparability, different rAAV serotypes (AAV2 and AAV8), internal vs external (inside vs outside the capsid) DNA analysis, and contaminated samples. Overall, it is exceptionally user-friendly, needs limited sample preparation, has high reproducibility, and permits fractionation for further peak characterization. All of these factors add significant value of IP-RP-LC to the analytical toolbox of rAAV genome assessment.

| S-EPMC10248999 | biostudies-literature

Chemical reactivity theory to analyze possible toxicity of microplastics: Polyethylene and polyester as examples

Project description: Not available

| S-EPMC10917325 | biostudies-literature

Cryo-EM structure of the inhibited (10S) form of myosin II.

Project description:Myosin II is the motor protein that enables muscle cells to contract and nonmuscle cells to move and change shape1. The molecule has two identical heads attached to an elongated tail, and can exist in two conformations: 10S and 6S, named for their sedimentation coefficients2,3. The 6S conformation has an extended tail and assembles into polymeric filaments, which pull on actin filaments to generate force and motion. In 10S myosin, the tail is folded into three segments and the heads bend back and interact with each other and the tail3-7, creating a compact conformation in which ATPase activity, actin activation and filament assembly are all highly inhibited7,8. This switched-off structure appears to function as a key energy-conserving storage molecule in muscle and nonmuscle cells9-12, which can be activated to form functional filaments as needed13-but the mechanism of its inhibition is not understood. Here we have solved the structure of smooth muscle 10S myosin by cryo-electron microscopy with sufficient resolution to enable improved understanding of the function of the head and tail regions of the molecule and of the key intramolecular contacts that cause inhibition. Our results suggest an atomic model for the off state of myosin II, for its activation and unfolding by phosphorylation, and for understanding the clustering of disease-causing mutations near sites of intramolecular interaction.

| S-EPMC7746622 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data