Outputs (157)

Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water (2018)
Journal Article
Zhovtobriukh, I., Besley, N. A., Fransson, T., Nilsson, A., & Pettersson, L. G. (2018). Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water. Journal of Chemical Physics, 148(14), Article 144507. https://doi.org/10.1063/1.5009457

The connection between specific spectrum features in the water X-ray absorption (XAS) and X-ray emission (XES) spectra and the local H-bond coordination is studied based on structures obtained from path-integral molecular dynamics simulations using e... Read More about Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water.

Development of a SERS strategy to overcome the nanoparticle stabilisation effect in serum-containing samples: Application to the quantification of dopamine in the culture medium of PC-12 cells (2018)
Journal Article
Dumont, E., De Bleye, C., Cailletaud, J., Sacre, P.-Y., Van Lerberghe, P.-B., Rogister, B., Rance, G., Aylott, J., Hubert, P., & Ziemons, E. (2018). Development of a SERS strategy to overcome the nanoparticle stabilisation effect in serum-containing samples: Application to the quantification of dopamine in the culture medium of PC-12 cells. Talanta, 186, https://doi.org/10.1016/j.talanta.2018.04.038

The analysis of serum samples by surface-enhanced Raman spectroscopy (SERS) has gained ground over the last years. However, the stabilisation of colloids by the proteins contained in these samples has restricted their use in common practice, unless a... Read More about Development of a SERS strategy to overcome the nanoparticle stabilisation effect in serum-containing samples: Application to the quantification of dopamine in the culture medium of PC-12 cells.

Synthesis of highly substituted 1,2-diazetidin-3-ones, small ring scaffolds for drug discovery (2018)
Journal Article
Santos, M. S., Nortcliffe, A., Lewis, W., Bradshaw, T. D., & Moody, C. J. (in press). Synthesis of highly substituted 1,2-diazetidin-3-ones, small ring scaffolds for drug discovery. Chemistry - A European Journal, https://doi.org/10.1002/chem.201801309

1,2-Diazetidin-3-ones are readily accessible, small ring scaffolds that upon functionalization have the potential to produce diverse 3-dimensional structures for drug discovery. Thus treatment of diazo hydrazides, obtained from simple hydrazides and... Read More about Synthesis of highly substituted 1,2-diazetidin-3-ones, small ring scaffolds for drug discovery.

Gallium incorporation into phosphate based glasses: Bulk and thin film properties (2018)
Journal Article
Stuart, B. W., Grant, C. A., Stan, G. E., Popa, A. C., Titman, J. J., & Grant, D. M. (2018). Gallium incorporation into phosphate based glasses: Bulk and thin film properties. Journal of the Mechanical Behavior of Biomedical Materials, 82, 371-382. https://doi.org/10.1016/j.jmbbm.2018.03.041

The osteogenic ions Ca2+, P5+, Mg2+, and antimicrobial ion Ga3+ were homogenously dispersed into a 1.45 mum thick phosphate glass coating by plasma assisted sputtering onto CP grade titanium. The objective was to deliver therapeutic ions in orthopedi... Read More about Gallium incorporation into phosphate based glasses: Bulk and thin film properties.

Label-Free Electrochemical Immunoassay for C-Reactive Protein (2018)
Journal Article
Thangamuthu, M., Santschi, C., & J. F. Martin, O. (2018). Label-Free Electrochemical Immunoassay for C-Reactive Protein. Biosensors, 8(2), Article 34. https://doi.org/10.3390/bios8020034

C-reactive protein (CRP) is one of the most expressed proteins in blood during acute phase inflammation, and its minute level increase has also been recognized for the clinical diagnosis of cardio vascular diseases. Unfortunately, the available comme... Read More about Label-Free Electrochemical Immunoassay for C-Reactive Protein.

Basis sets for the calculation of core-electron binding energies (2018)
Journal Article
Hanson-Heine, M. W., George, M. W., & Besley, N. A. (2018). Basis sets for the calculation of core-electron binding energies. Chemical Physics Letters, 699, https://doi.org/10.1016/j.cplett.2018.03.066

Core-electron binding energies (CEBEs) computed within a !self-consistent field approach require large basis sets to achieve convergence with respect to the basis set limit. It is shown that supplementing a basis set with basis functions from the cor... Read More about Basis sets for the calculation of core-electron binding energies.

Structure of ancient glass by 29Si magic angle spinning NMR (2018)
Journal Article
Bradford, H., Ryder, A., Henderson, J., & Titman, J. J. (2018). Structure of ancient glass by 29Si magic angle spinning NMR. Chemistry - A European Journal, 24(29), 7474-7479. https://doi.org/10.1002/chem.201800483

29Si magic angle spinning (MAS) NMR spectroscopy is applied for the first time to the structural analysis of ancient glass samples obtained from archaeological excavations. The results show that it is possible to establish the distribution of Si envi... Read More about Structure of ancient glass by 29Si magic angle spinning NMR.

Ground-based hyperspectral imaging as a tool to identify different carbonate phases in natural cliffs (2018)
Journal Article
Beckert, J., Vandeginste, V., McKean, T. J., Alroichdi, A., & John, C. M. (in press). Ground-based hyperspectral imaging as a tool to identify different carbonate phases in natural cliffs. International Journal of Remote Sensing, 39(12), https://doi.org/10.1080/01431161.2018.1452068

Recent research has shown hyperspectral imaging to be a powerful tool to distinguish carbonate phases with slight compositional differences on quarry cliff faces. The traditional remote sensing set5up uses an optimal short distance between the hypers... Read More about Ground-based hyperspectral imaging as a tool to identify different carbonate phases in natural cliffs.

High capacity surface route discharge at the potassium-O2 electrode (2018)
Journal Article
Chen, Y., Jovanov, Z. P., Gao, X., Liu, J., Holc, C., Johnson, L. R., & Bruce, P. G. (2018). High capacity surface route discharge at the potassium-O2 electrode. Journal of Electroanalytical Chemistry, 819, 542-546. https://doi.org/10.1016/j.jelechem.2018.03.041

Discharge by a surface route at the cathode of an aprotic metal-O2 battery typically results in surface passivation by the non-conducting oxide product. This leads to low capacity and early cell death. Here we investigate the cathode discharge reacti... Read More about High capacity surface route discharge at the potassium-O2 electrode.

Keep the flow: in-line technologies for pure products (2018)
Journal Article
Contente, M. L. (2018). Keep the flow: in-line technologies for pure products. Chimica Oggi-Chemistry Today, 36(1), 35-47

Flow reactor technology represents one of the enabling technologies introduced in the last decade to advance the sustainability of organic synthesis and shows many advantages compared with batch methods, including increased safety, high control of re... Read More about Keep the flow: in-line technologies for pure products.