Search results for "NUCLEAR MAGNETIC RESONANCE"

showing 10 items of 1743 documents

27Al NMR Study of the pH Dependent Hydrolysis Products of Al2(SO4)3 in Different Physiological Media

2018

Soluble inorganic aluminium compounds like aluminium sulfate or aluminium chloride have been challenged by the European Chemical Agency to induce germ cell mutagenicity. Before conducting mutagenicity tests, the hydrolysis products in water and in physiological solutions should be determined as a function of the concentration and pH. We used different 27Al NMR spectroscopic techniques (heteronuclear Overhauser effect spectroscopy (HOESY), exchange spectroscopy (EXSY), diffusion ordered (DOSY)) in this work to gain the information to study the aluminium species in solutions with Al2(SO4)3 concentrations of 50.0, 5.0, and 0.5 g/L and their pH and time dependent transformation. At low pH, thre…

0301 basic medicineAluminium chlorideInorganic chemistryPharmaceutical Sciencechemistry.chemical_elementNuclear Overhauser effectAluminium sulfate010402 general chemistry01 natural sciencesArticleAnalytical Chemistrylcsh:QD241-44103 medical and health scienceschemistry.chemical_compoundHydrolysislcsh:Organic chemistryAluminiumDrug DiscoverymedicinePhysical and Theoretical Chemistrychemistry.chemical_classificationOrganic ChemistryNMR0104 chemical sciences030104 developmental biologyhydrolysischemistryHeteronuclear moleculeChemistry (miscellaneous)REACHMolecular MedicineCounterionaluminium sulfate; hydrolysis; NMR; REACHaluminium sulfateTwo-dimensional nuclear magnetic resonance spectroscopymedicine.drugMolecules; Volume 23; Issue 4; Pages: 808
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Bridged Epipolythiodiketopiperazines from Penicillium raciborskii, an Endophytic Fungus of Rhododendron tomentosum Harmaja

2016

Three new epithiodiketopiperazine natural products [outovirin A (1), outovirin B (2), and outovirin C (3)] resembling the antifungal natural product gliovirin have been identified in extracts of Penicillium raciborskii, an endophytic fungus isolated from Rhododendron tomentosum. The compounds are unusual for their class in that they possess sulfide bridges between α- and β-carbons rather than the typical α-α bridging. To our knowledge, outovirin A represents the first reported naturally produced epimonothiodiketopiperazine, and antifungal outovirin C is the first reported trisulfide gliovirin-like compound. This report describes the identification and structural elucidation of the compounds…

0301 basic medicineAntifungalAntifungal AgentsRhododendronnatural productsmedicine.drug_classPenicillium raciborskiiRhododendron tomentosumPharmaceutical ScienceBiology01 natural sciencesPiperazinesAnalytical Chemistry03 medical and health scienceschemistry.chemical_compoundDrug DiscoveryBotanymedicinePenicillium raciborskiiNuclear Magnetic Resonance Biomolecularta317PharmacologyNatural productMolecular Structure010405 organic chemistryOrganic ChemistryPenicilliumta1182Rhododendron tomentosumEndophytic fungusepipolythiodiketopiperazinesbiology.organism_classification3. Good health0104 chemical sciences030104 developmental biologyComplementary and alternative medicinechemistryMolecular MedicineRhododendron tomentosum HarmajaOutovirin CantifungalsJournal of Natural Products
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Structural characterization of polysaccharides of a productive strain of the culinary-medicinal king oyster mushroom, pleurotus eryngii (Agaricomycet…

2018

A preliminary biological investigation of the dry basidiomata of strain C-142-c of Pleurotus eryngii has shown significant antioxidant activity. Two different polysaccharides (PEPS-A1 and PEPS-A2) were isolated from the cultivated edible mushroom, P. eryngii C-142-c strain. Based on acid hydrolysis, methylation analysis, and nuclear magnetic resonance experiments (1H, 13C, distortionless enhancement by polarization transfer, double quantum filtered correlation spectroscopy, total correlation spectroscopy, nuclear Overhauser effect spectroscopy, heteronuclear singlequantum correlation spectroscopy, and heteronuclear multiple-bond correlation spectroscopy), the structures of the repeating uni…

0301 basic medicineAntioxidantMedicinal mushroommedicine.medical_treatmenteducationPleurotus eryngii; polysaccharides; antioxidant activity; MTT assay; medicinal mushroomspolysaccharidesantioxidant activityNuclear Overhauser effectPolysaccharidePleurotusApplied Microbiology and BiotechnologyPleurotus eryngii03 medical and health sciencesAntioxidant activityDrug DiscoverymedicinePleurotus eryngiiViability assayFood sciencePolysaccharidechemistry.chemical_classificationPharmacologyMushroomMTT assaybiologyChemistrymedicinal mushroomsDrug Discovery3003 Pharmaceutical ScienceFungal Polysaccharidesbiology.organism_classificationFungal PolysaccharideEdible mushroom030104 developmental biologyItalypolysaccharidecardiovascular systemPleurotuTwo-dimensional nuclear magnetic resonance spectroscopycirculatory and respiratory physiology
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The cytoprotective protein MANF promotes neuronal survival independently from its role as a GRP78 cofactor

2021

Mesencephalic astrocyte-derived neurotrophic factor (MANF) is an endoplasmic reticulum (ER)-stress-regulated protein exhibiting cytoprotective properties through a poorly understood mechanism in various in vitro and in vivo models of neuronal and non-neuronal damage. Although initially characterized as a secreted neurotrophic factor for midbrain dopamine neurons, MANF has recently gained more interest for its intracellular role in regulating the ER homeostasis, including serving as a cofactor of the chaperone glucose-regulated protein 78 (GRP78). We aimed for a better understanding of the neuroprotective mechanisms of MANF. Here we show for the first time that MANF promotes the survival of …

0301 basic medicineBiFC bimolecular fluorescence complementationMST microscale thermophoresisPDIA1 protein disulfide isomerase family A member 1ApoptosisNEUROTROPHIC FACTOR MANFEndoplasmic ReticulumBiochemistryprotein-protein interactionMiceBimolecular fluorescence complementationUPR unfolded protein responseENDOPLASMIC-RETICULUM STRESSMesencephalonNeurotrophic factorsInsulin-Secreting CellsProtein Interaction MappingBINDINGCOMPREHENSIVE RESOURCEATF6unfolded protein response (UPR)PDIA6 protein disulfide isomerase family A member 6PPIs protein-protein interactionsEndoplasmic Reticulum Chaperone BiPHeat-Shock ProteinsNPTN neuroplastinbiologyChemistryapoptosisunfolded protein responsedopamine neurons3. Good healthCell biologyGDNF glial cell line–derived neurotrophic factorIRE1-ALPHASBD substrate-binding domainendoplasmic reticulum stressMANF mesencephalic astrocyte-derived neurotrophic factorTm tunicamycinneuroprotectionResearch ArticleProtein BindingSignal TransductionGRP78Protein Disulfide-Isomerase FamilyCell SurvivalTH tyrosine hydroxylasePrimary Cell CultureSCG superior cervical ganglionProtein Disulfide-IsomerasesIRE1 inositol-requiring enzyme 1ER-STRESSER endoplasmic reticulum03 medical and health sciencesohjelmoitunut solukuolemaC-MANF C-terminal domain of MANFCSPs chemical shift perturbationsAnimalsHumansHSP70 Heat-Shock ProteinsNerve Growth FactorsNBD nucleotide-binding domainNMR nuclear magnetic resonanceMolecular Biology030102 biochemistry & molecular biologyBIPATF6Dopaminergic NeuronsGene Expression ProfilingBinding proteinneuronal cell deathDISSOCIATIONCell BiologyNEI nucleotide exchange inhibitorEmbryo MammalianadenosiinitrifosfaattiATPhermosolutmesencephalic astrocyte-derived neurotrophic factorprotein–protein interactionPERK protein kinase RNA-like ER kinaseHEK293 Cells030104 developmental biologyGene Expression RegulationChaperone (protein)Tg thapsigarginbiology.proteinUnfolded protein responseAP-MS affinity purification mass spectrometry1182 Biochemistry cell and molecular biologyGFP-SH SH-tagged GFPendoplasmic reticulum stress (ER stress)DA dopaminemesencephalic astrocyte-derived neurotrophic factor (MANF)proteiinitNeuroplastin
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Metabolic Profile of Oral Squamous Carcinoma Cell Lines Relies on a Higher Demand of Lipid Metabolism in Metastatic Cells

2017

Tumor cells are subjected to a broad range of selective pressures. As a result of the imposed stress, subpopulations of surviving cells exhibit individual biochemical phenotypes that reflect metabolic reprograming. The present work aimed at investigating metabolic parameters of cells displaying increasing degrees of metastatic potential. The metabolites present in cell extracts fraction of tongue fibroblasts and of cell lines derived from human tongue squamous cell carcinoma lineages displaying increasing metastatic potential (SCC9 ZsG, LN1 and LN2) were analyzed by 1H NMR (nuclear magnetic resonance) spectroscopy. Living, intact cells were also examined by the non-invasive method of fluore…

0301 basic medicineCancer ResearchBioenergeticsOxidative phosphorylationlcsh:RC254-28203 medical and health sciences0302 clinical medicinemetastasismetabolic reprogrammingGlycolysisOriginal ResearchChemistryCatabolismLipid metabolismlcsh:Neoplasms. Tumors. Oncology. Including cancer and carcinogenscancer progressionmetabolomicsSquamous carcinomaCell biologyoral squamous cell carcinomanuclear magnetic resonance030104 developmental biologyOncologyCell culture030220 oncology & carcinogenesisNAD+ kinaseFrontiers in Oncology
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Urinary Metabolic Signatures Detect Recurrences in Non-Muscle Invasive Bladder Cancer

2019

Patients with non-muscle invasive bladder cancer (NMIBC) undergo lifelong monitoring based on repeated cystoscopy and urinary cytology due to the high recurrence rate of this tumor. Nevertheless, these techniques have some drawbacks, namely, low accuracy in detection of low-grade tumors, omission of pre-neoplastic lesions and carcinomas in situ (CIS), invasiveness, and high costs. This work aims to identify a urinary metabolomic signature of recurrence by proton Nuclear Magnetic Resonance (1H NMR) spectroscopy for the follow-up of NMIBC patients. To do this, changes in the urinary metabolome before and after transurethral resection (TUR) of tumors are analyzed and a Partial Least Square Dis…

0301 basic medicineCancer Researchmedicine.medical_specialtyUrinary systemmetaboliteUrologylcsh:RC254-282Article03 medical and health sciences0302 clinical medicineMetabolomicsCytologyMetabolomeMedicineUrologiametabolic pathwaysCàncerBladder cancermedicine.diagnostic_testbusiness.industryrecurrence predictionCystoscopymedicine.diseaselcsh:Neoplasms. Tumors. Oncology. Including cancer and carcinogensmetabolomicsnuclear magnetic resonance030104 developmental biologyOncology030220 oncology & carcinogenesisBiomarker (medicine)bladder cancerbiomarkerbusinessNon muscle invasivebiomarker bladder cancer metabolic pathways metabolite metabolomics nuclear magnetic resonance recurrence predictionCancers
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Cytotoxic benzylbenzofuran derivatives from Dorstenia kameruniana

2018

Abstract Chromatographic separation of the extract of the roots of Dorstenia kameruniana (family Moraceae) led to the isolation of three new benzylbenzofuran derivatives, 2-(p-hydroxybenzyl)benzofuran-6-ol (1), 2-(p-hydroxybenzyl)-7-methoxybenzofuran-6-ol (2) and 2-(p-hydroxy)-3-(3-methylbut-2-en-1-yl)benzyl)benzofuran-6-ol(3) (named dorsmerunin A, B and C, respectively), along with the known furanocoumarin, bergapten (4). The twigs of Dorstenia kameruniana also produced compounds 1–4 as well as the known chalcone licoagrochalcone A (5). The structures were elucidated by NMR spectroscopy and mass spectrometry. The isolated compounds displayed cytotoxicity against the sensitive CCRF-CEM and …

0301 basic medicineChalconeStereochemistryMoraceaeBergapten03 medical and health sciencesFuranocoumarinchemistry.chemical_compound0302 clinical medicineCell Line TumorDrug DiscoveryHumansCytotoxicityIC50Institut für Biochemie und BiologieBenzofuransPharmacologyMolecular StructurebiologyGeneral MedicineNuclear magnetic resonance spectroscopyMoraceaebiology.organism_classificationAntineoplastic Agents PhytogenicDrug Resistance Multiple030104 developmental biologychemistryDrug Resistance NeoplasmCell culture030220 oncology & carcinogenesisddc:540Fitoterapia
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A community resource of experimental data for NMR / X-ray crystal structure pairs

2015

We have developed an online NMR / X-ray Structure Pair Data Repository. The NIGMS Protein Structure Initiative (PSI) has provided many valuable reagents, 3D structures, and technologies for structural biology. The Northeast Structural Genomics Consortium was one of several PSI centers. NESG used both X-ray crystallography and NMR spectroscopy for protein structure determination. A key goal of the PSI was to provide experimental structures for at least one representative of each of hundreds of targeted protein domain families. In some cases, structures for identical (or nearly identical) constructs were determined by both NMR and X-ray crystallography. NMR spectroscopy and X-ray diffraction …

0301 basic medicineChemistryNuclear magnetic resonance crystallographyNuclear magnetic resonance spectroscopyBiochemistryStructural genomics03 medical and health sciencesCrystallographyStructural bioinformatics030104 developmental biologyProtein structureStructural biologyTriple-resonance nuclear magnetic resonance spectroscopyMolecular BiologyProtein Structure InitiativeProtein Science
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Anti-inflammatory tetraquinane diterpenoids from a Crinipellis species.

2016

The small pro-inflammatory 10kDa chemokine CXCL10 (Interferon-inducible protein 10, IP-10) plays an important role in mediating immune responses through the activation and recruitment of leukocytes such as T cells, eosinophils, monocytes and NK cells to the sites of inflammation. Elevated levels of CXCL10 have been associated with chronic inflammatory and infectious diseases and therefore CXCL10 represents an attractive target for the development of new anti-inflammatory drugs. In a search for anti-inflammatory compounds from fungi inhibiting the inducible CXCL10 promoter activity, four new tetraquinane diterpenoids, crinipellin E (1), crinipellin F (2), crinipellin G (3) and crinipellin H …

0301 basic medicineChemokinemedicine.drug_classClinical BiochemistryPharmaceutical ScienceInflammation010402 general chemistry01 natural sciencesBiochemistryAnti-inflammatory03 medical and health sciencesStructure-Activity RelationshipImmune systemDrug DiscoverymedicineCXCL10HumansMolecular BiologyCells CulturedbiologyDose-Response Relationship DrugMolecular StructureChemistryOrganic ChemistryAnti-Inflammatory Agents Non-SteroidalBiological activityNuclear magnetic resonance spectroscopyTransfectionMolecular biology0104 chemical sciencesChemokine CXCL10030104 developmental biologyBiochemistrybiology.proteinMolecular Medicinemedicine.symptomDiterpenesAgaricalesBioorganicmedicinal chemistry
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Secondary structure and dynamics study of the intrinsically disordered silica-mineralizing peptide P5S3during silicic acid condensation and silica de…

2017

The silica forming repeat R5 of sil1 from Cylindrotheca fusiformis was the blueprint for the design of P5 S3 , a 50-residue peptide which can be produced in large amounts by recombinant bacterial expression. It contains 5 protein kinase A target sites and is highly cationic due to 10 lysine and 10 arginine residues. In the presence of supersaturated orthosilicic acid P5 S3 enhances silica-formation whereas it retards the dissolution of amorphous silica (SiO2 ) at globally undersaturated concentrations. The secondary structure of P5 S3 during these 2 processes was studied by circular dichroism (CD) spectroscopy, complemented by nuclear magnetic resonance (NMR) spectroscopy of the peptide in …

0301 basic medicineCircular dichroismProtein ConformationSilicic AcidPeptideMolecular Dynamics SimulationSodium Chloride010402 general chemistry01 natural sciencesBiochemistryArticle03 medical and health scienceschemistry.chemical_compoundStructural BiologyPolymer chemistryOrganic chemistrySilicic acidNuclear Magnetic Resonance BiomolecularMolecular BiologyDissolutionProtein secondary structurePolyproline helixchemistry.chemical_classificationNuclear magnetic resonance spectroscopySilicon Dioxide0104 chemical sciencesIntrinsically Disordered Proteins030104 developmental biologychemistryPolymerizationPeptidesProteins: Structure, Function, and Bioinformatics
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