Crystal structure and computational study of 3,4-dihydroxy-3-hydroxymethyl-9-methyl-6-methylidene-3a, 4,5,6,6a, 9,9a, 9b-octahydroazuleno[4,5-b]furan-2,8(3H,7H)-dione

6533b837fe1ef96bd12a2834

RESEARCH PRODUCT

Crystal structure and computational study of 3,4-dihydroxy-3-hydroxymethyl-9-methyl-6-methylidene-3a, 4,5,6,6a, 9,9a, 9b-octahydroazuleno[4,5-b]furan-2,8(3H,7H)-dione

Santiago García-granda Mehmet Akkurt ÍSmail ÇElik Hüseyin Akşit Ramazan Erenler

subject

crystal structure HOMO LUMO MOPAC PM3 Crystal structure Ring (chemistry)Bioinformatics Medicinal chemistry Centaurea polypodiifolia CNDO Research Communications Crystal CNDO/2 theoretical investigation chemistry.chemical_compound Furan General Materials Science Physics::Chemical Physics HOMO/LUMO Quantitative Biology::Biomolecules cynarinin A Crystallography Hydrogen bond General Chemistry Condensed Matter Physics chemistry QD901-999

description

WOS: 000370762300147

year	journal	country	edition	language
2015-12-01

10.1107/s2056989015019623 https://hdl.handle.net/20.500.12881/4676

PEPhysical Sciences and Engineering
- PE2Fundamental Constituents of Matter
  - PE2_1Theory of fundamental interactions
  - PE2_2 Phenomenology of fundamental interactions
  - PE2_3Experimental particle physics with accelerators
  - PE2_4Experimental particle physics without accelerators
  - PE2_6Nuclear, hadron and heavy ion physics
  - PE2_8Gas and plasma physics
  - PE2_5Classical and quantum physics of gravitational interactions
  - PE2_7Nuclear and particle astrophysics
  - PE2_9 Electromagnetism
  - PE2_10Atomic, molecular physics
  - PE2_11Ultra-cold atoms and molecules
  - PE2_18Equilibrium and non-equilibrium statistical mechanics: steady states and dynamics
  - PE2_14Lasers, ultra-short lasers and laser physics
  - PE2_17Metrology and measurement
  - PE2_16Non-linear physics
  - PE2_12Optics, non-linear optics and nano-optics
  - PE2_13Quantum optics and quantum information
  - PE2_15Thermodynamics
- PE1Mathematics
  - PE1_1Logic and foundations
  - PE1_6Geometry and global analysis
  - PE1_8Analysis
  - PE1_7Topology
  - PE1_9Operator algebras and functional analysis
  - PE1_10ODE and dynamical systems
  - PE1_12Mathematical physics
  - PE1_11Theoretical aspects of partial differential equations
  - PE1_13Probability
  - PE1_14Mathematical statistics
  - PE1_15Generic statistical methodology and modelling
  - PE1_4 Algebraic and complex geometry
  - PE1_19Scientific computing and data processing
  - PE1_2Algebra
  - PE1_20Control theory, optimisation and operational research
  - PE1_21Application of mathematics in sciences
  - PE1_22Application of mathematics in industry and society
  - PE1_5Lie groups, Lie algebras
  - PE1_18Numerical analysis
  - PE1_16Discrete mathematics and combinatorics
  - PE1_17Mathematical aspects of computer science
  - PE1_3Number theory
- PE3Condensed Matter Physics
  - PE3_1Structure of solids, material growth and characterisation
  - PE3_2Mechanical and acoustical properties of condensed matter, lattice dynamics
  - PE3_3Transport properties of condensed matter
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  - PE10_13Physical geography, geomorphology
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- PE11Materials Engineering
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  - PE11_1Engineering of biomaterials, biomimetic, bioinspired and bio-enabled materials
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  - PE11_10Soft materials engineering, e.g. gels, foams, colloids
  - PE11_11Porous materials engineering, e.g. covalent-organic, metal-organic, porous aromatic frameworks
  - PE11_12Semi-conducting and magnetic materials engineering
  - PE11_13Metamaterials engineering
  - PE11_14Computational methods for materials engineering
LSLife Sciences
- LS1Molecules of Life: Biological Mechanisms, Structures and Functions
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  - LS1_14Innovative methods and modelling in molecular, structural and synthetic biology
  - LS1_10Synthetic biology
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  - LS1_9Molecular mechanisms of signalling processes
  - LS1_7Molecular biophysics, biomechanics, bioenergetics
- LS2Integrative Biology: from Genes and Genomes to Systems
  - LS2_1Genetics
  - LS2_3Epigenetics
  - LS2_2Gene editing
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- LS4Physiology in Health, Disease and Ageing
  - LS4_1Organ and tissue physiology and pathophysiology
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  - LS4_2Comparative physiology
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- LS3Cell Biology, Development, Stem Cells and Regeneration
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- LS5Neuroscience and Disorders of the Nervous System
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- LS6Immunity, Infection and Immunotherapy
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  - LS9_1Bioengineering for synthetic and chemical biology
SHSocial Sciences and Humanities
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