Search results for "Research Communications"

showing 10 items of 91 documents

Crystal structure and Hirshfeld surface analysis of (E)-4-chloro-N-{2-[2-(4-nitro­benzyl­idene)hydrazin-1-yl]-2-oxoeth­yl}benzene­sulfonamide N,N-di­…

2018

Reaction of N-(4-chloro­benzene­sulfon­yl)glycinyl hydrazide with 4-nitro­benzaldehyde gives the N,N-di­methyl­formamide monosolvated N-acyl­hydrazone derivative, (E)-N-{2-[2-(4-nitro­benzyl­idene)- hydrazine-1-yl]-2-oxoeth­yl}-4-χhloro­benzene­sulfonamide. Rings of (10) and (11) graph-set motifs are formed in the crystal structure by N—H⋯O and C—H⋯O hydrogen bonds. The two-dimensional fingerprint (FP) plots for significant inter­molecular inter­actions indicate that the greatest contribution is from the O⋯H/H⋯O contacts (31.3%), corresponding to N⋯H⋯O/C⋯H⋯O inter­actions.

Formamidecrystal structureHydrazoneCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesMedicinal chemistryResearch Communicationslcsh:Chemistrychemistry.chemical_compoundhydrazoneHirshfeld surface analysisGeneral Materials Sciencechemistry.chemical_classificationSchiff baseHydrogen bondinter­molecular hydrogen bondsAromaticityGeneral ChemistryCondensed Matter Physics0104 chemical sciencesintermolecular hydrogen bondslcsh:QD1-999chemistryinversion dimersActa Crystallographica Section E: Crystallographic Communications
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Crystal structure and theoretical study of (2E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-(thiophen-2-yl)prop-2-en-1-one

2018

WOS: 000437492100018

HOMOLUMOCyclohexane conformationThio-Crystal structureDihedral angleRing (chemistry)01 natural sciencesResearch CommunicationsMannich Baseschemistry.chemical_compoundquantum-Chemical CalculationChalconesMorpholineGeneral Materials ScienceBenzeneCrystallographyMathematics::Commutative Algebra010405 organic chemistryHydrogen bondGeneral ChemistryCondensed Matter PhysicsCondensed Matter::Mesoscopic Systems and Quantum Hall EffectTheoretical Study0104 chemical sciences010404 medicinal & biomolecular chemistryCrystallographychemistryQD901-999Crystal Structure
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Crystal structure of the tetraaquabis(thiocyanato-kappa N)cobalt(II)-caffeine-water (1/2/4) co-crystal

2017

In the structure of the title compound, [Co(NCS)2(H2O)4]·2C8H10N4O2·4H2O, the cobalt metal lies on an inversion centre and is coordinated in a slightly distorted octa­hedral geometry. In the crystal, the complex mol­ecules inter­act with the caffeine mol­ecules through O—H⋯N, O—H⋯O, C–H⋯S hydrogen bonds and π–π inter­actions.

Hydrogen bondingSingle-crystal X-ray diffraction analysischemistry.chemical_elementThio-Crystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch CommunicationsCrystallcsh:ChemistryCaffeineGeneral Materials Science[CHIM.COOR]Chemical Sciences/Coordination chemistrybiologyHydrogen bondCrystal structureGeneral ChemistryCondensed Matter Physicsbiology.organism_classification3. Good health0104 chemical sciencesCrystallographyOxygen atomchemistrylcsh:QD1-999TetraCobalt
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Crystal structures of 2,2′-bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide and bis(2,2′-bipyridin-1-ium) 1,1,3,3-tetracyano-2-(dicyanometh…

2015

In each of the title compounds, the anion shows evidence of extensive electronic delocalization. A combination of N—H⋯N and X—H⋯N hydrogen bonds links the ions in (I) into a ribbon of alternating centrosymmetric (18) and (26) rings, and those in (II) into simple (7) chains of alternating cations and anion with further cations pendent from the chain.

Hydrogen bondingcrystal structurebipyridinium cationsCrystal structureDihedral angleRing (chemistry)Research CommunicationsIonchemistry.chemical_compoundDelocalized electronpolynitrile anionsPropaneQDGeneral Materials ScienceEthyl groupmol­ecular conformationta116Crystallographyta114Hydrogen bondCrystal structureDASGeneral ChemistryMolecular conformationhydrogen bondingQD ChemistryCondensed Matter PhysicsBipyridinium cationsCrystallographymolecular conformationMol­ecular conformationchemistryQD901-999Polynitrile anionsActa Crystallographica Section E Crystallographic Communications
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Effect on gut microbiota of a 1-y lifestyle intervention with Mediterranean diet compared with energy-reduced Mediterranean diet and physical activit…

2021

ABSTRACT Background The Mediterranean diet is a well-recognized healthy diet that has shown to induce positive changes in gut microbiota. Lifestyle changes such as diet along with physical activity could aid in weight loss and improve cardiovascular risk factors. Objectives To investigate the effect of an intensive lifestyle weight loss intervention on gut microbiota. Methods This is a substudy of the PREDIMED-Plus (Prevención con Dieta Mediterránea-Plus), a randomized controlled trial conducted in overweight/obese men and women (aged 55–75 y) with metabolic syndrome. The intervention group (IG) underwent an intensive weight loss lifestyle intervention based on an energy-restricted Mediterr…

Male0301 basic medicineWeight lossMediterranean dietNutritional Status Dietary Intake and Body CompositionMedicine (miscellaneous)PhysiologyOverweightGut floraDiet MediterraneanAcademicSubjects/MED00160Feceschemistry.chemical_compound0302 clinical medicineWeight lossRNA Ribosomal 16SMedicinePhylogenyMetabolic SyndromeNutrition and DieteticsbiologyMiddle AgedOriginal Research CommunicationsRNA BacterialFemalemedicine.symptomEnergy restriction030209 endocrinology & metabolismGut microbiotaAcademicSubjects/MED0006003 medical and health sciencesMediterranean dietHumansObesityExerciseLife StyleAgedCaloric RestrictionBacteriabusiness.industryLachnospiraceaemedicine.diseasebiology.organism_classificationObesityGastrointestinal Microbiome030104 developmental biologychemistryGlycated hemoglobinMetabolic syndromeEnergy IntakebusinessThe American Journal of Clinical Nutrition
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Plasma trimethylamine-N-oxide and related metabolites are associated with type 2 diabetes risk in the Prevención con Dieta Mediterránea (PREDIMED) tr…

2018

Background The role of trimethylamine-N-oxide (TMAO) in type 2 diabetes (T2D) is currently partially understood and controversial. Objective The aim of this study was to investigate associations between TMAO and related metabolites with T2D risk in subjects at high risk of cardiovascular disease. Design This is a case-cohort design study within the Prevencion con Dieta Mediterranea (PREDIMED) study, with 251 incident T2D cases and a random sample of 694 participants (641 noncases and 53 overlapping cases) without T2D at baseline (median follow-up: 3.8 y). We used liquid chromatography-tandem mass spectrometry to measure plasma TMAO, l-carnitine, betaine, lyso-phosphatidylcholine (LPC) and l…

Male0301 basic medicinemedicine.medical_specialtyMedicine (miscellaneous)030209 endocrinology & metabolismTrimethylamine N-oxideType 2 diabetesDiet MediterraneanLower riskGastroenterologyCohort StudiesMethylamines03 medical and health scienceschemistry.chemical_compound0302 clinical medicineRisk FactorsDiabetes mellitusInternal medicineHumansNutsMedicineCholineAgedNutrition and Dieteticsbusiness.industryCase-control studyMiddle Agedmedicine.diseaseOriginal Research Communications030104 developmental biologyDiabetes Mellitus Type 2QuartilechemistryCase-Control StudiesFemalelipids (amino acids peptides and proteins)businessCohort studyThe American Journal of Clinical Nutrition
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Molecular Mechanisms of the Crosstalk Between Mitochondria and NADPH Oxidase Through Reactive Oxygen Species—Studies in White Blood Cells and in Anim…

2014

Aims: Oxidative stress is involved in the development of cardiovascular disease. There is a growing body of evidence for a crosstalk between different enzymatic sources of oxidative stress. With the present study, we sought to determine the underlying crosstalk mechanisms, the role of the mitochondrial permeability transition pore (mPTP), and its link to endothelial dysfunction. Results: NADPH oxidase (Nox) activation (oxidative burst and translocation of cytosolic Nox subunits) was observed in response to mitochondrial reactive oxygen species (mtROS) formation in human leukocytes. In vitro, mtROS-induced Nox activation was prevented by inhibitors of the mPTP, protein kinase C, tyrosine kin…

PhysiologyNeutrophilsClinical BiochemistryBiologyMitochondrionmedicine.disease_causeBiochemistryModels BiologicalSuperoxide dismutaseCyclophilinsMiceForum Original Research CommunicationsMitochondria (A. Daiber Ed.)medicineLeukocytesAnimalsHumansMolecular BiologyGeneral Environmental ScienceRespiratory Burstchemistry.chemical_classificationMice KnockoutReactive oxygen speciesNADPH oxidaseSuperoxide DismutaseAngiotensin IINADPH OxidasesBiological TransportCell BiologyRespiratory burstMitochondriaPeroxidesEnzyme ActivationCrosstalk (biology)Oxidative StressMitochondrial permeability transition poreBiochemistrychemistrybiology.proteincardiovascular systemGeneral Earth and Planetary SciencesReactive Oxygen SpeciesOxidation-ReductionOxidative stressCyclophilin D
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Crystal structure of 1-ferrocenyl-2-(4-methyl-benzo-yl)spiro-[11H-pyrrolidizine-3,11'-indeno[1,2-b]quinoxaline].

2014

In the title compound the four-fused-rings system is approximately planar and the pyrrolidine rings of the pyrrolidizine fragment adopt a twist conformation. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds and C—H⋯π inter­actions, forming double-chains parallel to the c axis.

Quantitative Biology::Biomoleculescrystal structureCrystallographyChemistryHydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsPyrrolidineferrocen­ylferrocenylResearch CommunicationsCrystalchemistry.chemical_compoundCrystallographyQuinoxalineQD901-999quinoxalinepyrrolidizinehydrogen bondsGeneral Materials ScienceBenzeneActa crystallographica. Section E, Structure reports online
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Crystal structure of (1S,2R,4S)-1-[(morpholin-4-yl)methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol

2014

Besides intra­molecular O—H⋯N hydrogen bonds, the crystal structure displays inter­molecular O—H⋯O and C—H⋯O hydrogen bonds linking the mol­ecules into undulating layers parallel to the (01) plane.

Quantitative Biology::Biomoleculescrystal structureCrystallographyHydrogen bondDiolCyclohexane conformationAbsolute configurationGeneral ChemistryCrystal structureCondensed Matter Physicschiral ligand for catalytic enantioselective transformationsResearch CommunicationsHexaneCrystalchemistry.chemical_compoundCrystallographychemistryQD901-999Morpholinehydrogen bondschiral ligand for catalytic enanti­oselective transformationsGeneral Materials SciencePhysics::Chemical Physicsamino-12-diolActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of 4-[(adamantan-1-yl)amino]­naphthalene-1,2-dione

2019

The title compound, an example of a stable 1,2-naphtho­quinone, illustrates steric buttressing of the adamantanyl group.

Steric effectscrystal structureAdamantaneintra­molecular hydrogen bondingadamantanenaphthoquinoneAdamantaneCrystal structureN— HO hydrogen bonding010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch CommunicationsCrystallcsh:ChemistryDelocalized electronchemistry.chemical_compoundNaphthoquinoneGroup (periodic table)General Materials ScienceNaphthaleneintramolecular hydrogen bondingCrystal structurenaphtho­quinone548.81 Cristalografía estructuralIntramolecular hydrogen bondingGeneral ChemistryCondensed Matter PhysicsNaphthoquinone0104 chemical sciencesCrystallographychemistrylcsh:QD1-999N—H...O hydrogen bondingN—H⋯O hydrogen bondingActa Crystallographica Section E: Crystallographic Communications
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