Outputs (19)

Cytotoxic and radiosensitising effects of a novel thioredoxin reductase inhibitor in breast cancer (2021)
Journal Article

Radiotherapy is an effective treatment modality for breast cancer but, unfortunately, not all patients respond fully with a significant number experiencing local recurrences. Overexpression of thioredoxin and thioredoxin reductase has been reported t... Read More about Cytotoxic and radiosensitising effects of a novel thioredoxin reductase inhibitor in breast cancer.

Optimizing Molecular Geometries in Strong Magnetic Fields (2021)
Journal Article

An efficient implementation of geometrical derivatives at the Hartree-Fock (HF) and current-density-functional theory (CDFT) levels is presented for the study of molecular structure in strong magnetic fields. The required integral derivatives are con... Read More about Optimizing Molecular Geometries in Strong Magnetic Fields.

Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Methods (2021)
Journal Article

An implementation of real-time time-dependent Hartree-Fock (RT-TDHF) and current-density-functional theory (RT-TDCDFT) for molecules in strong uniform magnetic fields is presented. In contrast to earlier implementations, the present work enables the... Read More about Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Methods.

Ionic Liquids-Cobalt(II) Thermochromic Complexes: How the Structure Tunability Affects "self-Contained" Systems (2021)
Journal Article

With the aim of obtaining thermochromic systems with potential applications in solar energy storage, we evaluated the behavior of some sugar-based ionic liquids (ILs)-Co(NTf2)2 complexes, in IL solution, as a function of temperature. Different struct... Read More about Ionic Liquids-Cobalt(II) Thermochromic Complexes: How the Structure Tunability Affects "self-Contained" Systems.

Modeling of the spectroscopy of core electrons with density functional theory (2021)
Journal Article

The availability of X-ray light sources with increased resolution and intensity has provided a foundation for increasingly sophisticated experimental studies exploiting the spectroscopy of core electrons to probe fundamental chemical, physical, and b... Read More about Modeling of the spectroscopy of core electrons with density functional theory.

Polymer pro-drug nanoparticles for sustained release of cytotoxic drugs evaluated in patient-derived glioblastoma cell lines and in situ gelling formulations (2021)
Journal Article

Glioblastoma (GBM) is the most common, malignant and aggressive brain tumour in adults. Despite the use of multimodal treatments, involving surgery, followed by concomitant radiotherapy and chemotherapy, the median survival for patients remains less... Read More about Polymer pro-drug nanoparticles for sustained release of cytotoxic drugs evaluated in patient-derived glioblastoma cell lines and in situ gelling formulations.

Thapsigargin Is a Broad-Spectrum Inhibitor of Major Human Respiratory Viruses: Coronavirus, Respiratory Syncytial Virus and Influenza A Virus (2021)
Journal Article

The long-term control strategy of SARS-CoV-2 and other major respiratory viruses needs to in-clude antivirals to treat acute infections, in addition to the judicious use of effective vaccines. Whilst COVID-19 vaccines are being rolled out for mass va... Read More about Thapsigargin Is a Broad-Spectrum Inhibitor of Major Human Respiratory Viruses: Coronavirus, Respiratory Syncytial Virus and Influenza A Virus.

Tailoring Pyro- and Orthophosphate Species to Enhance Stem Cell Adhesion to Phosphate Glasses (2021)
Journal Article

Efficient carbon dioxide hydrogenation to formic acid with buffering ionic liquids (2021)
Journal Article