Search results for " DISCOVERY"

showing 10 items of 4082 documents

Finding Repetitions in Biological Networks: Challenges, Trends, and Applications

2013

pattern discoverybiological networksComputer scienceProblem FormulationsData scienceBiological network
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Impact of Ageing on Pea Protein Volatile Compounds and Correlation with Odor

2022

Vegetal proteins are of high interest for their many positive aspects, but their ‘beany’ off-flavor is still limiting the consumer’s acceptance. The aim of this work was to investigate the conservation of pea protein isolate (PPI) during time and especially the evolution of their organoleptic quality under two storage conditions. The evolution of the volatile compounds, the odor and the color of a PPI has been investigated during one year of storage. PPI was exposed to two treatments mimicking a lack of control of storage conditions: treatment A with light exposition at ambient temperature (A—Light 20 °C) and treatment B in the dark but with a higher temperature …

pea proteinVolatile Organic CompoundsHot Temperaturestorage conditionsPharmaceutical ScienceHS-SPME-GC-MSOrganic chemistry‘beany’ off-flavorAnalytical Chemistrypea protein; storage conditions; aroma; HS-SPME-GC-MS; ‘beany’ off-flavorQD241-441aromaChemistry (miscellaneous)OdorantsDrug DiscoveryMolecular Medicine[SDV.BV] Life Sciences [q-bio]/Vegetal BiologyPhysical and Theoretical Chemistry[SDV.MP] Life Sciences [q-bio]/Microbiology and ParasitologyPea ProteinsMolecules
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Synthesis and Molecular Modeling Studies of Derivatives of a Highly Potent Peptidomimetic Vinyl Ester as Falcipain-2 Inhibitors

2012

Herein we report the synthesis of a set of constrained peptidomimetics endowed with an electrophilic vinyl ester warhead and structurally related to a previously identified lead compound, a potent and irreversible inhibitor of falcipain-2 (FP-2). FP-2 is the main hemoglobinase of the malaria parasite P. falciparum. The new compounds were evaluated for their inhibition against FP-2, and the results were rationalized on the basis of docking experiments. These studies underscore the pivotal role of both the ester function at the P1' site and the trifluoromethyl group of the P3 side chain in determining the correct orientation of the Michael acceptor warhead in the catalytic site, and as a cons…

peptidomimeticdMolecular modelPeptidomimeticStereochemistryPlasmodium falciparumVinyl esterBiochemistrycysteine proteasesfalcipain-2 inhibitorsAntimalarialschemistry.chemical_compoundCatalytic DomainDrug DiscoverySide chainHumansEnzyme InhibitorsMalaria FalciparumGeneral Pharmacology Toxicology and PharmaceuticsPharmacologyTrifluoromethylOrganic Chemistrydocking studiescysteine proteases; peptidomimeticd; docking studies; falcipain-2 inhibitorsMolecular Docking SimulationCysteine EndopeptidaseschemistryDocking (molecular)Michael reactionMolecular MedicinePeptidomimeticsLead compoundChemMedChem
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Non-Occupational Exposure to Pesticides: Experimental Approaches and Analytical Techniques (from 2019)

2021

© 2021 by the authors.

pesticide residuesNon occupationalenvironmental exposurePharmaceutical ScienceOrganic chemistryReview010501 environmental scienceshuman health01 natural sciencesGas Chromatography-Mass SpectrometryMass SpectrometryAnalytical ChemistryGlobal populationHuman healthQD241-441Environmental healthDrug DiscoveryPlaguicidesHealth Status IndicatorsHumansPesticidesPhysical and Theoretical ChemistrySolvent extractionestimated intakesChromatography High Pressure Liquid0105 earth and related environmental sciencesPesticide residueSolid Phase Extraction010401 analytical chemistryindirect estimationdirect estimationEnvironmental exposureQuímicaPesticide0104 chemical scienceswastewater-based epidemiologyChemistry (miscellaneous)Human exposureSolventsMolecular MedicineEnvironmental scienceMolecules
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Plant Specialized Metabolites in Hazelnut (Corylus avellana) Kernel and Byproducts: An Update on Chemistry, Biological Activity, and Analytical Aspec…

2019

Abstract Corylus avellana (hazelnut) is one of the most popular tree nuts on a worldwide basis. The main products of C. avellana are kernels, a nutritious food, with a high content of healthy lipids, contained in a hard shell. In recent years, along with the ongoing research carried out on hazelnut kernels, a growing interest has been addressed to the hazelnut byproducts including hazelnut skin, hazelnut hard shell, and hazelnut green leafy cover as well as hazelnut tree leaf. These byproducts deriving from the roasting, cracking, shelling/hulling, and harvesting processes have been found as a source of “phytochemicals” with biological activity. The aim of this review is to provide a compre…

phenolicsPharmaceutical ScienceAntineoplastic Agents01 natural sciencesNutritious foodAnalytical ChemistryHuman healthCorylusAnti-Infective AgentsBetulaceaeDrug Discoveryanalytical tools; Betulaceae; biological activities; Corylus avellana; diarylheptanoids; phenolics; taxanes; Animals; Anti-Infective Agents; Antineoplastic Agents; Antipain; Corylus; Humans; Nuts; Plant ExtractsAnimalsAntipainHumansNutsFood scienceHazelnut treeBeneficial effectsRoastingPharmacology010405 organic chemistryChemistryPlant ExtractsOrganic Chemistrybiological activitiestaxanes0104 chemical sciences010404 medicinal & biomolecular chemistrydiarylheptanoidsComplementary and alternative medicineMolecular Medicineanalytical toolsCorylus avellana
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Phytol and Heptacosane Are Possible Tools to Overcome Multidrug Resistance in an In Vitro Model of Acute Myeloid Leukemia

2022

Drug resistance is the ability of cancer cells to gain resistance to both conventional and novel chemotherapy agents, and remains a major problem in cancer therapy. Resistance mechanisms are multifactorial and involve more strictly pharmacological factors, such as P-glycoprotein (P-gp) and biological factors such as inhibitor of apoptosis proteins (IAPs) and the nuclear factor-kappa B (NF-κB) pathway. Possible therapeutic strategies for the treatment of acute myeloid leukemia (AML) have increased in recent years; however, drug resistance remains a problem for most pa-tients. Phytol and heptacosane are the major compounds of Euphorbia intisy essential oil (EO) which were demonstrated to inhi…

phytolmultidrug resistanceP-gp inhibitorDrug DiscoveryP-glycoprotein; multidrug resistance; acute myeloid leukemia cell; P-gp inhibitors; phytol; heptacosaneheptacosaneSettore BIO/14 - FarmacologiaPharmaceutical ScienceMolecular MedicineP-glycoproteinSettore CHIM/08 - Chimica Farmaceuticaacute myeloid leukemia cell
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Deepening Inside the Pictorial Layers of Etruscan Sarcophagus of Hasti Afunei: An Innovative Micro-Sampling Technique for Raman/SERS Analyses

2019

The Hasti Afunei sarcophagus is a large Etruscan urn, made up of two chalky alabaster monoliths. Dated from the last quarter of the third century BC, it was found in 1826 in the small town of Chiusi (Tuscany- Il Colle place) by a landowner, Pietro Bonci Casuccini, who made it part of his private collection. The noble owner&rsquo

pictorial layerSmall townmedia_common.quotation_subjectPharmaceutical ScienceColor02 engineering and technologyengineering.materialmadder lakeSpectrum Analysis Raman01 natural sciencesArticlesarcophagusSERS analysesAnalytical Chemistrylcsh:QD241-441Egyptian bluechemistry.chemical_compoundImaging Three-Dimensionallcsh:Organic chemistryDrug Discoverymicrosampling techniquepictorial layer; Etruscan; sarcophagus; SERS analyses; Egyptian blue; madder lake; microsampling techniquePhysical and Theoretical ChemistryIconographyColoring Agentsmedia_common010401 analytical chemistryOrganic ChemistrySettore CHIM/06 - Chimica OrganicaArt021001 nanoscience & nanotechnologyArchaeology0104 chemical sciencesCultural heritageAlabasterchemistryArchaeologyItalyChemistry (miscellaneous)Egyptian blueMicro samplingengineeringMolecular MedicineMicrotechnologyPrivate collectionSarcophagus0210 nano-technologyEtruscanSarcophaguMolecules
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A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies

2022

The reaction of PtCl2 with s-triazine-type ligand (HTriaz) (1:1) in acetone under heating afforded a new [Pt(Triaz)Cl] complex. Single-crystal X-ray diffraction analysis showed that the ligand (HTriaz) is an NNO tridentate chelate via two N-atoms from the s-triazine and hydrazone moieties and one oxygen from the deprotonated phenolic OH. The coordination environment of the Pt(II) is completed by one Cl−1 ion trans to the Pt-N(hydrazone). Hirshfeld surface analysis showed that the most dominant interactions are the H···H, H···C and O···H intermolecular contacts. These interactions contributed by 60.9, 11.2 and 8.3% from the…

platinatiheysfunktionaaliteoriaOrganic ChemistryPt(II) complex; <i>s</i>-triazine; Hirshfeld; NBO; TD-DFT; X-rayPharmaceutical SciencekompleksiyhdisteetHirshfeldAnalytical ChemistryX-rayPt(II) complexs-triazineChemistry (miscellaneous)NBODrug DiscoveryMolecular MedicinePhysical and Theoretical ChemistryTD-DFTröntgenkristallografiaMolecules
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Polymorphic chiral squaraine crystallites in textured thin films

2020

Chirality 32(5), 619 - 631 (2020). doi:10.1002/chir.23213

polarized spectro-microscopyCircular dichroism610mikroskopiaCircular dichroism010402 general chemistry01 natural sciencesCatalysisAnalytical ChemistrypuolijohteetDrug DiscoveryTexture (crystalline)ddc:610Thin filmAnisotropyDicroisme circularDifracció de raigs Xorgaaniset yhdisteetSpectroscopyPharmacologyimaging Mueller matrix polarimetry010405 organic chemistryChemistryOrganic ChemistryDavydov splittingX-rays diffraction0104 chemical sciencesX-ray diffractionCrystallographyX-ray crystallographyOrthorhombic crystal systempolarimetriaCrystalliteohutkalvotröntgenkristallografiaMonoclinic crystal system
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Compatibilization of Polylactide/Poly(ethylene 2,5-furanoate) (PLA/PEF) Blends for Sustainable and Bioderived Packaging.

2022

Despite the advantages of polylactide (PLA), its inadequate UV-shielding and gas-barrier properties undermine its wide application as a flexible packaging film for perishable items. These issues are addressed in this work by investigating the properties of melt-mixed, fully bioderived blends of polylactide (PLA) and poly(ethylene furanoate) (PEF), as a function of the PEF weight fraction (1&ndash;30 wt %) and the amount of the commercial compatibilizer/chain extender Joncryl ADR 4468 (J, 0.25&ndash;1 phr). J mitigates the immiscibility of the two polymer phases by decreasing and homogenizing the PEF domain size; for the blend containing 10 wt % of PEF, the PEF domain size drops from 0.67 &p…

poly(ethylene furanoate)compatibilizationPolymersPolyestersOrganic ChemistryPharmaceutical ScienceEthylenesfuranoatesAnalytical ChemistryOxygenSettore ING-IND/22 - Scienza E Tecnologia Dei MaterialiBlendsgas-permeabilityChemistry (miscellaneous)PolyethylenepolylactideDrug DiscoveryblendsMolecular Medicinepolylactide; furanoates; poly(ethylene furanoate); blends; compatibilization; gas-permeability; UV-shieldingUV-shieldingPhysical and Theoretical ChemistryMolecules (Basel, Switzerland)
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