Search results for "Molecules"

showing 10 items of 1147 documents

The Structure of Cholesterol in Lipid Rafts

2014

Rafts, or functional domains, are transient nano- or mesoscopic structures in the plasma membrane and are thought to be essential for many cellular processes such as signal transduction, adhesion, trafficking and lipid/protein sorting. Observations of these membrane heterogeneities have proven challenging, as they are thought to be both small and short-lived. With a combination of coarse-grained molecular dynamics simulations and neutron diffraction using deuterium labeled cholesterol molecules we observe raft-like structures and determine the ordering of the cholesterol molecules in binary cholesterol-containing lipid membranes. From coarse-grained computer simulations, heterogenous membra…

CholesterolLiquid ordered phaseNeutron diffractionGeneral Physics and AstronomyFOS: Physical sciencesBiomolecules (q-bio.BM)Triclinic crystal systemCondensed Matter - Soft Condensed Matterchemistry.chemical_compoundMolecular dynamicsMembranechemistryQuantitative Biology - BiomoleculesBiological Physics (physics.bio-ph)FOS: Biological sciencesBiophysicsMoleculeSoft Condensed Matter (cond-mat.soft)lipids (amino acids peptides and proteins)Physics - Biological PhysicsLipid raft
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How to untie G-quadruplex knots and why?

2021

International audience; For over two decades, the prime objective of the chemical biology community studying G-quadruplexes (G4s) has been to use chemicals to interact with and stabilize G4s in cells to obtain mechanistic interpretations. This strategy has been undoubtedly successful, as demonstrated by recent advances. However, these insights have also led to a fundamental rethinking of G4-targeting strategies: due to the prevalence of G4s in the human genome, transcriptome, and ncRNAome (collectively referred to as the G4ome), and their involvement in human diseases, should we continue developing G4-stabilizing ligands or should we invest in designing molecular tools to unfold G4s? Here, …

Clinical BiochemistryChemical biologyComputational biology[CHIM.THER]Chemical Sciences/Medicinal ChemistryBiology010402 general chemistryG-quadruplex01 natural sciencesBiochemistry03 medical and health sciencesgenetic diseasesDrug DiscoveryHumansMolecular Biologyunfolding030304 developmental biologyPharmacology0303 health sciencesG-quadruplex[SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry Molecular Biology/Structural Biology [q-bio.BM]Genome Humanhelicasesgenetic instability0104 chemical sciencesG-Quadruplexessmall moleculesMolecular Medicine
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Identification and isolation of the primary aggregation factor from the cell membrane of the sponge Geodia cydonium

1985

The primary aggregation factor (pAF) of sponge cells is a glycoprotein that is firmly associated with the cell membrane. Polyspecific antibodies (anti-GM) prepared from sera raised against membranes of cells from the siliceous sponge Geodia cydonium were found to inhibit initial aggregation of homologous cells. The inhibition of aggregation, caused by anti-GM was neutralized by pAF. The pAF had been successfully solubilized and enriched by affinity chromatography, gel filtration and density gradient centrifugation, if checked by polyacrylamide gel electrophoresis in the presence of urea. The Mr of the native pAF was approximately 40 000 as estimated by gel filtration; under denaturing condi…

Clinical BiochemistrySize-exclusion chromatographyBiologyCell membraneSpecies SpecificityAffinity chromatographymedicineAnimalsGeodiaMolecular BiologyPolyacrylamide gel electrophoresisCell AggregationGlycoproteinschemistry.chemical_classificationDifferential centrifugationCell MembraneMembrane ProteinsLectinCell BiologyGeneral Medicinebiology.organism_classificationMolecular biologyPoriferamedicine.anatomical_structurechemistryBiochemistrybiology.proteinlipids (amino acids peptides and proteins)GlycoproteinCell Adhesion MoleculesMolecular and Cellular Biochemistry
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Old Weapons for New Wars: Bioactive Molecules From Cnidarian Internal Defense Systems

2016

The renewed interest in the study of genes of immunity in Cnidaria has led to additional information to the scenario of the first stages of immunity evolution revealing the cellular processes involved in symbiosis, in the regulation of homeostasis and in the fight against infections. The recent study with new molecular and functional approach on these organisms have therefore contributed with unexpected information on the knowledge of the stages of capturing activities and defense mechanisms strongly associated with toxin production. Cnidarians are diblastic aquatic animals with radial symmetry; they represent the ancestral state of Metazoa, they are the simplest multicellular organisms tha…

CnidariaImmune defenseMicrobial toxinsbiologyPhylumEcologyGeneral NeuroscienceBioactive moleculesNeurotoxinsDefence mechanismsbiology.organism_classificationCnidariaMulticellular organismCnidarian VenomsNeuropsychology and Physiological PsychologyAnti-Infective AgentsAntimicrobial peptide Cnidaria Cytolysins Immune defense Neurotoxin ToxinsImmunityEvolutionary biologyAnimalsHumansMolecular MedicinePeptidesSodium Channel Blockers
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Inflammatory reaction and isolation of multifunctional bioactive molecules in cnidarians: from Immunobiology to Blue Biotechnology

2015

The phylum of Cnidaria is one of the first branches in the tree of animal life to provide crucial insights on the evolution of immunity. Cnidarians are diblastic aquatic animals with radial symmetry and they are the simplest multicellular organisms that have reached the level of tissue organization. The renewed interest in the study of immunity in Cnidaria has led to additional information to the scenario of the first stages of immunity evolution revealing the cellular processes involved in symbiosis, in the regulation of homeostasis and in the fight against infections. We investigated the inflammatory response in Cnidarian following injection of various substances different in type and dim…

Cnidariabioactive moleculesCnidaria; bioactive molecules
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Comparison of electron density properties in frozen and relaxed electronic distributions.

2003

Two kinds of electron densities for several small molecules (H(2), FH, CH(3)CH(3), CH(3)NH(2), CH(3)OH, and CH(3)F) have been generated for a wide range of bond distances. The first one, as the sum of the electron density of the isolated fragments, and the second one by optimizing the electron density at each given geometrical disposition. A number of properties of this two electronic distributions have been compared (position of the bond critical points, electron density, Laplacian, curvatures, and local energies). The differences, associated to the bond formation, are found to be very important for most of the cases.

Computational MathematicsRange (particle radiation)Electron densityChemistryPosition (vector)Atoms in moleculesGeneral ChemistryElectronBond formationAtomic physicsLaplace operatorElectron localization functionJournal of computational chemistry
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Non-equilibrium Markov state modeling of periodically driven biomolecules

2019

Molecular dynamics simulations allow to study the structure and dynamics of single biomolecules in microscopic detail. However, many processes occur on time scales beyond the reach of fully atomistic simulations and require coarse-grained multiscale models. While systematic approaches to construct such models have become available, these typically rely on microscopic dynamics that obey detailed balance. In vivo, however, biomolecules are constantly driven away from equilibrium in order to perform specific functions and thus break detailed balance. Here we introduce a method to construct Markov state models for systems that are driven through periodically changing one (or several) external p…

Computer scienceFOS: Physical sciencesGeneral Physics and AstronomyMarkov processMolecular Dynamics Simulation010402 general chemistry01 natural sciencesMolecular dynamicssymbols.namesake0103 physical sciencesPhysics - Biological PhysicsStatistical physicsPhysical and Theoretical ChemistryCondensed Matter - Statistical Mechanicschemistry.chemical_classificationQuantitative Biology::BiomoleculesStatistical Mechanics (cond-mat.stat-mech)010304 chemical physicsMarkov chainBiomoleculeMolecular biophysicsDetailed balanceDipeptidesComputational Physics (physics.comp-ph)Markov Chains0104 chemical sciencesModels ChemicalchemistryBiological Physics (physics.bio-ph)Benchmark (computing)symbolsState (computer science)Physics - Computational PhysicsThe Journal of Chemical Physics
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Xylochemicals and where to find them

2021

This article surveys a range of important platform and high value chemicals that may be considered primary and secondary 'xylochemicals'. A summary of identified xylochemical substances and their natural sources is provided in tabular form. In detail, this review is meant to provide useful assistance for the consideration of potential synthetic strategies using xylochemicals, new methodologies and the development of potentially sustainable, xylochemistry-based processes. It should support the transition from petroleum-based approaches and help to move towards more sustainability within the synthetic community. This feasible paradigm shift is demonstrated with the total synthesis of natural …

Computer scienceParadigm shiftSustainabilityMaterials ChemistryMetals and AlloysCeramics and CompositesGeneral ChemistryBiochemical engineeringCatalysisNatural (archaeology)Surfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsOrganic moleculesChemical Communications
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Infrared nanospectroscopic mapping of DNA molecules on mica surface

2022

Significant efforts have been done in last two decades to develop nanoscale spectroscopy techniques owning to their great potential for single-molecule structural detection and in addition, to resolve open questions in heterogeneous biological systems, such as protein-DNA complexes. Applying AFM-IR technique has become a powerful leverage for obtaining simultaneous absorption spectra with a nanoscale spatial resolution for studied proteins, however the IR-AFM investigation of DNA molecules on surface, as a benchmark for a nucleoprotein complexes nanocharacterization, has remained elusive. Herein, we demonstrate methodological approach for acquisition of IR-AFM mapping modalities with corres…

Condensed Matter - Mesoscale and Nanoscale PhysicsQuantitative Biology - BiomoleculesBiological Physics (physics.bio-ph)FOS: Biological sciencesMesoscale and Nanoscale Physics (cond-mat.mes-hall)FOS: Physical sciences[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry Molecular Biology/BiophysicsBiomolecules (q-bio.BM)Physics - Biological Physics
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X-ray versus Ultraviolet Irradiation of Astrophysical Ice Analogs Leading to Formation of Complex Organic Molecules

2019

In astrochemistry, complex organic molecules (COMs) are defined as species with at least one C atom and six or more atoms in total. More than 70 COMs were detected toward various interstellar and c...

Condensed Matter::Quantum Gases0303 health sciencesAtmospheric ScienceAstrochemistryMaterials scienceX-rayPhotochemistryQuantitative Biology::Genomics01 natural sciencesOrganic molecules03 medical and health sciencesSpace and Planetary ScienceGeochemistry and Petrology0103 physical sciencesAtomPhysics::Atomic and Molecular ClustersUltraviolet irradiationPhysics::Atomic Physics010303 astronomy & astrophysicsAstrophysics::Galaxy Astrophysics030304 developmental biologyACS Earth and Space Chemistry
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