| 1. |
- Abdel-Magied, Ahmed, et al.
(författare)
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Diastereomeric control of enantioselectivity: evidence for metal cluster catalysis.
- 2014
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Ingår i: Chemical Communications. - : Royal Society of Chemistry (RSC). - 1364-548X. ; 50:57, s. 7705-7708
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Tidskriftsartikel (refereegranskat)abstract
- Enantioselective hydrogenation of tiglic acid effected by diastereomers of the general formula [(μ-H)2Ru3(μ3-S)(CO)7(μ-P-P*)] (P-P* = chiral Walphos diphosphine ligand) strongly supports catalysis by intact Ru3 clusters. A catalytic mechanism involving Ru3 clusters has been established by DFT calculations.
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| 2. |
- Basagni, Andrea, et al.
(författare)
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On-surface photo-dissociation of C-Br bonds: towards room temperature Ullmann coupling
- 2015
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Ingår i: Chemical Communications. - : Royal Society of Chemistry (RSC). - 1364-548X .- 1359-7345. ; 51:63, s. 12593-12596
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Tidskriftsartikel (refereegranskat)abstract
- The surface-assisted synthesis of gold-organometallic hybrids on the Au(111) surface both by thermo-and light-initiated dehalogenation of bromo-substituted tetracene is reported. Combined X-ray photoemission (XPS) and scanning tunneling microscopy (STM) data reveal a significant increase of the surface order when mild reaction conditions are combined with 405 nm light irradiation.
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| 3. |
- Borgström, Björn, et al.
(författare)
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Synthetic modification of salinomycin: selective O-acylation and biological evaluation
- 2013
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Ingår i: Chemical Communications. - : Royal Society of Chemistry (RSC). - 1364-548X .- 1359-7345. ; 49:85, s. 9944-9946
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Tidskriftsartikel (refereegranskat)abstract
- Salinomycin has found renewed interest as an agent for prevention of cancer recurrence through selectively targeting cancer stem cells. Strategies for generation of improved salinomycin analogs by individual modification of its hydroxyl groups are presented. An evaluation of the dose-response effects of the resulting library on breast cancer cell lines shows that acylation of the C20 hydroxyl can be used to improve IC50 values down to one fifth that of salinomycin.
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| 4. |
- Brânzanic, Adrian M.V., et al.
(författare)
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Why does sulfite reductase employ siroheme?
- 2019
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Ingår i: Chemical Communications. - : Royal Society of Chemistry (RSC). - 1359-7345 .- 1364-548X. ; 55:93, s. 14047-14049
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Tidskriftsartikel (refereegranskat)abstract
- Sulfite reductase (SiR) contains in the active site a unique assembly of siroheme and a [4Fe4S] cluster, linked by a cysteine residue. Siroheme is a doubly reduced variant of heme that is not used for a catalytic function in any other enzyme. We have used non-equilibrium Green's function methods coupled with density functional theory computations to explain why SiR employs siroheme rather than heme. The results show that direct, through vacuum, charge-transfer routes are inhibited when heme is replaced by siroheme. This ensures more efficient channelling of the electrons to the catalytic iron during the six-electron reduction of sulfite to sulfide, limiting potential side-reactions that could occur if the incoming electrons were delocalized onto the macrocyclic ring.
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| 5. |
- Cassidy, Andrew, et al.
(författare)
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A mechanism for ageing in a deeply supercooled molecular glass
- 2021
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Ingår i: Chemical Communications. - : Royal Society of Chemistry (RSC). - 1359-7345 .- 1364-548X. ; 57:52, s. 6368-6371
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Tidskriftsartikel (refereegranskat)abstract
- Measurements of the decay of electric fields, formed spontaneously within vapour-deposited films ofcis-methyl formate, provide the first direct assessment of the energy barrier to secondary relaxation in a molecular glass. At temperatures far below the glass transition temperature, the mechanism of relaxation is shown to be through hindered molecular rotation. Magnetically-polarised neutron scattering experiments exclude diffusion, which is demonstrated to take place only close to the glass transition temperature.
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| 6. |
- Castelletto, Valeria, et al.
(författare)
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Structure of single-wall peptide nanotubes: in situ flow aligning X-ray diffraction
- 2010
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Ingår i: Chemical Communications. - : Royal Society of Chemistry (RSC). - 1364-548X .- 1359-7345. ; 46:34, s. 6270-6272
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Tidskriftsartikel (refereegranskat)abstract
- The structure of single wall peptide nanotubes is presented for the model surfactant-like peptide A(6)K. Capillary flow alignment of a sample in the nematic phase at high concentration in water leads to oriented X-ray diffraction patterns. Analysis of these, accompanied by molecular dynamics simulations, suggests the favourable self-assembly of antiparallel peptide dimers into beta-sheet ribbons that wrap helically to form the nanotube wall.
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| 7. |
- da Silva, DA, et al.
(författare)
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Vibronic coupling in the ground and excited states of the naphthalene cation
- 2004
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Ingår i: Chemical Communications. - : Royal Society of Chemistry (RSC). - 1359-7345 .- 1364-548X. ; :15, s. 1702-1703
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Tidskriftsartikel (refereegranskat)abstract
- The hole - vibrational coupling in naphthalene is studied using high-resolution gas-phase photoelectron spectroscopy and density functional theory calculations (DFT), and a remarkable increase of the coupling with low-frequency vibrations is observed in the excited states.
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| 8. |
- Dabkowska, A. P., et al.
(författare)
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Temperature responsive lipid liquid crystal layers with embedded nanogels
- 2017
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Ingår i: Chemical Communications. - : Royal Society of Chemistry. - 1359-7345 .- 1364-548X. ; 53:8, s. 1417-1420
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Tidskriftsartikel (refereegranskat)abstract
- Polymer nanogels are embedded within layers consisting of a nonlamellar liquid crystalline lipid phase to act as thermoresponsive controllers of layer compactness and hydration. As the nanogels change from the swollen to the collapsed state via a temperature trigger, they enable on-demand release of water from the mixed polymer-lipid layer while the lipid matrix remains intact. Combining stimuli-responsive polymers with responsive lipid-based mesophase systems opens up new routes in biomedical applications such as functional biomaterials, bioanalysis and drug delivery.
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| 9. |
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| 10. |
- Doyle, Catherine M., et al.
(författare)
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Ni-Cu ion exchange observed for Ni(II)-porphyrins on Cu(111)
- 2014
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Ingår i: Chemical Communications. - : Royal Society of Chemistry (RSC). - 1364-548X .- 1359-7345. ; 50:26, s. 3447-3449
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Tidskriftsartikel (refereegranskat)abstract
- A Ni-Cu ion exchange has been observed for (5,15-dibromo-10,20-diphenylporphyrinato)nickel(II) (NiDBrDPP) and (5,10,15,20-tetrakis-(4-bromophenyl) porphyrinato)nickel(II) (NiTBrPP) on Cu(111). The ion exchange proceeds at a faster rate for the NiDBrDPP/Cu(111) system compared to NiTBrPP/Cu(111). This is explained in terms of the macrocycle-substrate distance and the distortions
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