The Molecular Universe

A selection of the images on The Molecular Universe site

Image	Molecule Name	Caption
	Prostaglandin H2 synthase isoform 1	The membrane protein prostaglandin H2 synthase isoform 1. This is the target of nonsteroidal anti-inflammatory drugs (NSAIDs).
	Prostaglandin H2 synthase isoform 1	The membrane protein prostaglandin H2 synthase isoform 1. This is the target of nonsteroidal anti-inflammatory drugs (NSAIDs).
	Ibuprofen	Ibuprofen is an important NSAID.
	Ibuprofen	Ibuprofen is an important NSAID.
	Lysozyme	Lysozyme showing the connections between atoms with hydrogen atoms excluded. The active site of the enzyme is the 'v' shaped structure at the center of the molecule.
	Lysozyme	Lysozyme showing the peptide backbone of the enzyme. The active site of the enzyme is the 'v' shaped structure at the center of the molecule.
	Lysozyme	Lysozyme showing the peptide backbone and the positions of alpha helical structures (red cylinders) in the enzyme. The active site of the enzyme is the 'v' shaped structure at the center of the molecule.
	Para-aminobenzoic acid (PABA)	Para-aminobenzoic acid (PABA) is the used by bacteria to synthesize folic acid
	Para-aminobenzoic acid (PABA)	Para-aminobenzoic acid (PABA) is the used by bacteria to synthesize folic acid
	Paracetamol	The structure of paracetamol.
	Paracetamol	The structure of paracetamol.
	Resveratrol (above) oxybenzone (below)	Resveratrol (above) oxybenzone (below) showing the chemical structure of each molecule in 2-dimensions
	Resveratrol (above) oxybenzone (below)	Resveratrol (above) is a molecule present in red wine, possibly associated with the prevention of the effects of aging. Oxybenzone (below) is used in sunscreens. This image shows the 3-dimensional structure of the both molecules, which have the same chemical formula.
	Resveratrol (above) oxybenzone (below)	Resveratrol (above) is a molecule present in red wine, possibly associated with the prevention of the effects of aging. Oxybenzone (below) is used in sunscreens. This image shows the 3-dimensional structure of the both molecules, which have the same chemical formula.
	Salvarsan	Salvarsan, an arsenic based drug, first synthesized by Paul Ehrlich in 1910.
	Salvarsan	Salvarsan, an arsenic based drug, first synthesized by Paul Ehrlich in 1910.
	TriAcetone TriPeroxide	TriAcetone TriPeroxide (TATP)
	TriAcetone TriPeroxide	TriAcetone TriPeroxide (TATP)
	An Atomic Force Microscope (AFM) image	A schematic of an Atomic Force Microscope (AFM) image
	An AFM tip on an atomic surface	A schematic of an AFM tip on an atomic surface
	A simple AFM tip	A model MgO AFM tip interacting with a NaCl surface.
	A simple AFM tip interacting with a step	A model MgO AFM tip interacting with a step on a NaCl surface.
	Alumina and ceria	A junction between Al2O3 and CeO2.
	Alumina surface	Rearrangement in the surface of Al2O3.
	Alpha helix and beta sheet	Alpha helices (as shown on the left) and beta sheet (shown on the right) peptide structures are held together by hydrogen bonds.
	20 amino acids.	The 20 natural amino acids.
	The bee venom polympeptide apamin	Energy minimized structure of apamin.
	Arachiodonic acid	Arachiodonic acid is a precursor to the production of prostaglandins.
	Arachiodonic acid	Arachiodonic acid is a precursor to the production of prostaglandins.
	Argon interface	An argon solid liquid interface
	Argon liquid	The trajectory of an argon atom in liquid argon
	Aspartame	The structure of aspartame
	Aspartame	The structure of aspartame
	Aspirin	The structure of aspirin
	Aspirin	The structure of aspirin
	Base molecules	The 4 base molecules from which DNA is constructed
	Barium titanate	Barium titanate and ionic displacement in the unit cell
	Benzene and an aspartyl protease inhibitor electron density	Benzene and an aspartyl protease inhibitor electron density
	A delocalized molecular orbital in benzene	A delocalized molecular orbital in benzene
	A delocalized molecular orbital in benzene	A delocalized molecular orbital in benzene
	Benzene crystal solution	Adjusting the calculated structure of a benzene crystal structure to match an x-ray powder diffraction pattern.
	Benzene	The structure of benzene
	The Bohr model of the atom	The Bohr model of the atom
	C60	The crystal structure of C60
	C60	The crystal structure of C60
	Caffeine	Caffeine, showing an isocontour through its electron density
	Energy profiles	The effect of a catalyst on a reaction energy barrier.
	SiO2 Units	A chain of silicate species.
	Clathrate Structures	Interstitial sites in a cage like structures formed by SiO2 (left) and within the hydrogen bonded structure of water molecules in a gas hydrate structure (right).
	Clinoptilolite	Clinoptilolite
	Carbon Monoxide and Carbon Dioxide	Carbon Monoxide and Carbon Dioxide (CO and CO2)
	Crosslinked polymer molecules	Crosslinked polymer molecules
	Scattering of x-rays by amorphous and crystalline materials	Scattering of x-rays by amorphous and crystalline materials
	Nitric oxide interacting with a copper surface	Nitric oxide interacting with a copper surface
	Nitric oxide interacting with a copper atom in the zeolite ZSM-5	Nitric oxide interacting with a copper atom in the zeolite ZSM-5
	Cyclamate	The structure of cyclamate
	Cyclamate	The structure of cyclamate
	Cyclosporin	Cyclosporin and quantum calculations
	Dihydrofolate reductase	Docked configuration of the molecule trimethoprim in the E-Coli dihydrofolate reductase enzyme.
	Diamond	The atomis structure of diamond.
	Diopside	The mineral diopside
	Diphosphonate scale inhibitor	A diphosphonate scale inhibitor bound to the surface of barium sulfate.
	DNA
	DNA Replication	A schematic illustration of DNA replication. Division of the original pair of base strands, shown in blue, leads to two identical copies of the base sequence.
	Mineral layers in the earth	Mineral layers in the earth
	Bonding electron density in ethane	Eletron density build up along the covalent bonds of ethane
	Intersititial sites in metal lattices	Interstitial sites in the structures of the metals iron (left) and palladium (right). Insterstitial sites are highlighted.
	Feldspar minerals	The structure of feldspar materials
	Energy Barrier	The energy barrier surmounted in the reaction of A and BC to form AB and C
	Energy Barrier	The energy barrier surmounted in the reaction of A and BC to form AB and C
	Folic Acid	Folic Acid
	Folic Acid	Folic Acid
	Forsterite	Forsterite, a structure based on isolated SiO4 tetrahedra
	Geiger Marsden Experiment	The Geiger Marsden experiment: Alpha particles bounced back from the gold foil showing that the gold atom contained a tiny positively charged nucleus.
	Silica Glass	The structure of vitreous silica generated by quenching of MD simulation of molten SiO2
	Covalent Bonding in Hydrogen	Colour coded contours showing the electron density about two hydrogen atoms (shown in white) in a hydrogen (H2) molecule.
	Covalent Bonding in Hydrogen	Colour coded contours showing the difference in electron density about two hydrogen atoms (shown in white) in a hydrogen (H2) molecule and the electron density of a hydrogen atom. Increased electron density between the hydrogen atoms can be seen.
	The Electrostatic Potential of Water and Methanol	The electrostatic potential about H2O and CH3OH
	Liquid Water Dynamics	Snapshots from a simulation of liquid water. One of the molecules is shown in yellow to highlight its trajectory through the course of the simulation.
	Liquid Water	The structure of liquid water
	Liquid Water	The structure of liquid water
	Ice Melting	The structure of ice on the point of melting
	Water Vapour	Water molecules leaving the surface or water to go into the vapour phase.
	Hemoglobin	The structure of hemoglobin
	Heroin	A heroin molecule
	Hydrogen Fluoride	Liquid hydrogen fluoride, HF.
	A Mercury Containg Superconductor	A Mercury Containg Superconductor
	A Metallocene Homogeneous Catalyst	A Metallocene Homogeneous Catalyst
	Heterogenous Catalysis	Hydrogen and simple hydrocarbons on a metal surface
	Atomic Orbitals	Representations of atomic orbitals: 1s and 2s (top row), 2p (middle row) and 3d orbials (lower row)
	A Hyper-Cube	A Hyper-Cube
	The Structure of Ice	The Structure of Ice
	The Structure of Ice Close to Its Melting Point	The Structure of Ice Close to Its Melting Point
	The structure of K2MgF4	The structure of K2MgF4
	The Structure of Kaolinite	The Structure of Kaolinite
	Layered Minerals.	Different types of layered minerals.
	Liquid Crystal	A schematic representation of a liquid crystal
	Liquid Crystal Molecules	The models of the types of molecules which form liquid crystals
	Lysozyme	The structure of lysozyme
	Lysozyme	The structure of lysozyme
	Lysozyme	The structure of lysozyme
	Lysozyme	The active site of lysozyme
	Lysozyme	Lysozyme
	Lysozyme Molecular Dynamics	Lysozyme Molecular Dynamics
	Lysozyme Substrate	The lysozyme molecule with the substrate of the enzyme highlighted
	Lysozyme Molecular Dynamics	Superimposed dynamics frames showing the motion of the lysozyme substrate in the active site of the enzyme
	MCM-41	MCM-41 a mesoporous material
	Conducting Polymer Dynamics	A molecular dynamics trajectory showing the tracks of lithium ions in a conducting polymer
	Molecular Dynamics Schematic	Molecular Dynamics Schematic
	Metal Crystals	Metal Crystals
	Mg2SiO4	Mg2SiO4
	Catalysis on MgCl2	Catalysis on MgCl2
	MgO	The pattern of atoms in magnesium oxide, MgO, which adopts the same structure as rocksalt
	MgSiO3	Electron density in MgSiO3.
	MgSiO3	MgSiO3, ilmenite.
	MgSiO3	MgSiO3, perovskite
	Energy Minima	Energy Minima
	Zeolite Y	Hydrocarbon molecules and zeolite Y.
	Butane, benzene, ethylene and acetylene	Molecules with different forms of bonding
	Crystal Morphology	A Crystal Morphology
	Crystal Morphology	An illustration of the kinetic control of crystal morphology
	Xylenes	The structures of p- and m-xylene.
	Xylenes in ZSM-5	Calculated trajectories for the diffusion of p-xylene (on left) and m-xylene in ZSM-5 (on right).
	Muscovite	The layer structure of an aluminosilicate clay highlighting cations.
	Muscovite	The layer structure of an aluminosilicate clay highlighting cations.
	Nitrogen, Argon and NaCl liquids	Nitrogen, (N2 molecules), argon (Ar atoms) and sodium chloride (NaCl molten ions)
	Nitrogen	A representation of the highest occupied molecular orbital in the nitrogen molecule.
	Nitrogen, Argon and NaCl liquidsSodium ChlorideSolvated NaCl	Nitrogen, (N2 molecules), argon (Ar atoms) and sodium chloride (NaCl molten ions) The sodium chloride structure Solvated ions of sodium and chlorine
	Sodium Chloride	The sodium chloride structure
	Electron density differences in NaCl	Electron density differences within sodium chloride
	Sodium Chloride, NaCl	A sodium chloride (NaCl) surface. There is a slight rearrangement of the surface: sodium ions move into the surface and chloride ions relax away from the surface.
	Niobium Oxide	Nb2O5.
	A DNA strand	A DNA molecule.
	Nickel and SiO2	Groups of nickel atoms on the surface of SiO2
	Lanthanum nickelate	Predicted and observed structure of a lanthanum nickelate compound
	Trial structures	Trial structures in inorganic structure prediction
	Oxytocin	Snapshots from the motion in a peptide hormone, oxytocin, played in sequence, as a movie.
	PABA and Prontosil	The structures of PABA and Protosil
	PABA and Prontosil	The structures of PABA and Protosil
	Base Pairs	Base pairs; on the left of the diagram are thymine and adenine (thymine is above) and on the right are guanine and cytosine (cytosine is above)
	Paraffin molecules	A set of paraffin molecules with progressively longer carbon backbones
	Paraxylene Molecules in ZSM-5	Paraxylene molecules (in green) packed in the framework of the zeolite, ZSM-5
	Apamin Energy Minimization	Energy minimization and its effect on the conformation of a peptide molecule
	Atomic Radii	The periodic table of the elements showing typical chemical radii for each element
	Periodic table, highlighting octahedrally coordinated metal atoms.	MO6 elements.
	Phillipsite	The mineral phillipsite
	Point defects	Labeled point defects in a simple solid
	Point defects	Point defects in a simple solid
	Polyacetylene	A packed assembly of polyacetylene molecules
	Polyanions	Polyanion clusters based on octahedrally coordinated metal atoms
	Polymers	The structure of various polymers
	Potential Energy	Schematic illustration of the interatomic potential for a pair of atoms illustrating the repulsive behaviour at short separations but attractive interactions at larger internuclear spacings
	PABA and Prontosil	The structures of PABA and Protosil
	PABA and Prontosil	The structures of PABA and Protosil
	SiO2 polymorphs	The structure of the SiO2 polymorphs quartz and trydimite
	Quartz Electron Density	The electron density differences within quartz, SiO2
	The morphology of quartz	The predicted morphology of quartz
	The Mott-Littleton Method	A schematic illustration of the Mott-Littleton method
	The ReO3 Structure	The ReO3 Structure
	Ring Structures	Ring Structures, (CH2)4, (CH2)6, and S6
	Rotation About a Double Bond	Double bonds (lower) cannot rotate without disrupting the interaction of pi orbitals
	Saccharin	Saccharin
	Saccharin	Saccharin
	A silicate sheet	A layer of SiO4 silicate tetrahedra, sharing corners, to form a sheet
	Reconstruction on the Surface of Silicon	The surface of silicon possesses rings of silicon atoms.
	Bonding in Silicon	Covalent Bonding in the Structure of Silicon
	Simple Molecules	H2, H2O, NH3 and CH4, Hydrogen, Water, Ammonia, and Methane
	SiO2	Successive configurations in the simulation of the melting of SiO2 showing melt formation from the crystalline to the liquid state.
	Silicate Glasses	Models of silicate glasses (this image is larger if you follow its link)
	SiO2	Successive configurations in the simulation of the melting of SiO2 showing melt formation from the crystalline to the liquid state.
	SnO2 Surface	An oxygen molecule on the surface of SnO2
	Super Oxide Dismutase	Super Oxide Dismutase (SOD)
	Sodium	Sodium atoms in metallic sodium
	Solvated NaCl	Solvated ions of sodium and chlorine
	A Metal Surface	Steps and kinks on a metallic surface
	Sucrose	The Structure of Sucrose Molecule
	Sucrose	The Structure of Sucrose Molecule
	Sugars	Sugar structures
	High temperature superconductor	The structure of a high temperature superconductor
	Holes in a superconductor	Pair configurations for Cu and O holes in a high Tc superconductor: white circles indicate hole sites
	Tetrahedra and octahedra	Tetrahedra and octahedra
	Tetrahedra sharing faces to form a helix.	Tetrahedra sharing faces to form a helix.
	Ti5O9	The structure of Ti5O9
	The structure of TiO2	Snapshots following the course of the minimization of the lattice energy of a TiO2 model
	The structure of TiO2	Sequence of configurations in the energy minimization of TiO2, starting from the initial random arrangement of Ti and O atoms (top left) through successive structures to the energy minimized structure of rutile (bottom right).
	Ethylene and V2O5	Ethylene on vanadium pentoxide
	Water and water vapour	Water and water vapour
	The structure of virus coat	The structure of virus coat
	VPI-5	The structure of VPI-5
	Water	Liquid Water
	Liquid Water	Liquid water, showing the movement of individual water molecules
	Diffusion in Water	The diffusion of an individual water molecule in liquid water
	The Internet	A simple diagram of main internet connections
	Xenon Compounds	Compounds of Xenon: XeF2, XeF4 and XeF6
	An Ytrium Barium Copper Oxide Surface	An Ytrium Barium Copper Oxide Surface
	Acid site in a zeolite	An acidic proton in the vicinity of an aluminium atom (shown in green) in a zeolite cage structure
	Zeolite structures and structural elements	Zeolite structures and structural elements
	The diffusion of methane in a zeolite	The trajectory of a small hydrocarbon molecule diffusing through ZSM-5
	The structure of zeolite templates	Molecules can template or direct the formation of certain zeolite structures
	Ion binding sites in the zeolite Y structure	Ion binding sites in the zeolite Y structure
	The Structures of Three Zeolites	Structures of zeolite A (left) and Y (upper right) and of ZSM-5 (lower right)
	The morphology of zircon	The predicted morphology of zircon
	ZSM-5 and mordenite	The structures of the zeolites ZSM-5 (left) and mordenite (right)
	Octane in ZSM-5	Octane in ZSM-5