Publications by authors named "A Altun"
Purpose: Human epidermal growth factor-2 (HER-2) targeted drugs are used in only HER-2 overexpressed cancers. However, only a small portion of these cancer types are HER-2 overexpressed. In this study, we aimed to upregulate HER-2 receptors in MCF-7 breast cancer and HT-29 colon cancer cell cultures, which these cells are not HER-2 upregulated in natural status.
View Article and Find Full Text PDFWe introduce the fragment-pairwise Local Energy Decomposition (fp-LED) scheme for precise quantification of individual interactions contributing to the binding energy of arbitrary chemical entities, such as protein-ligand binding energies, lattice energies of molecular crystals, or association energies of large biomolecular assemblies. Using fp-LED, we can assess whether the contribution to the binding energy arising from noncovalent interactions between pairs of molecular fragments in any chemical system is attractive or repulsive, and accurately quantify its magnitude at the coupled cluster level - commonly considered as the "gold standard" of computational chemistry. Such insights are crucial for advancing molecular and material design strategies in fields like catalysis and therapeutic development.
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- A computational workflow is presented to assess the stability of molecular crystal structures using cluster models and quantum chemical methods, specifically the Hartree-Fock plus London Dispersion (HFLD) method for estimating lattice energy.
- The fragment-pairwise Local Energy Decomposition (fp-LED) method quantifies key intermolecular interactions, breaking them down into energy components like dispersion and electrostatics, and requiring minimal computation for each structure.
- The approach is demonstrated with case studies on polymorphs of naphthyl-substituted dipnictanes and tris(thiophen-2-yl)bismuthane, offering insights for designing crystal structures with specific properties, which could benefit materials science and related fields.
Article Synopsis
- - Palladium (Pd) is a heavy metal with great catalytic properties, widely used in industries like pharmaceuticals, but it poses health and environmental risks, highlighting the need for effective analytical methods.
- - A new fluorescent probe called INXPd has been developed, which can selectively detect palladium concentration through a color and fluorescence change when Pd cleaves the allyl carbonate component in the probe.
- - INXPd shows high sensitivity with a detection limit of 56 nM and a quick response time of 2.0 minutes, making it useful for analyzing Pd in various samples, including drugs, water, and food, as well as for imaging in living cells.
Background: The experiences of GPs in Australia highlight key considerations regarding workload demands, remuneration incentives and the practical implications of working in regions with high ethnic density. This exploration helps to understand the elements that influence GPs delivery of care, particular for refugee women who exhibit disproportionately higher rates of chronic pain. This qualitative study explored the experiences of GPs providing care for refugee women living with chronic pain.
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