Conventional refinement strategies used for three-dimensional electron diffraction (3D ED) data disregard the bonding effects between the atoms in a molecule by assuming a pure spherical model called the Independent Atom model (IAM) and may lead to an inaccurate or biased structure. Here we show that it is possible to perform a refinement going beyond the IAM with electron diffraction data. We perform kappa refinement which models charge transfers between atoms while assuming a spherical model.
View Article and Find Full Text PDF: Breast cancer results from tissue degradation caused by environmental and genetic factors that affect cells in the body. Matrix metalloproteinases, such as MMP-2 and MMP-9, are considered potential putative markers for tumor diagnosis in clinical validation due to their easy detection in body fluids. In addition, recent reports have suggested multiple roles for MMPs, rather than simply degeneration of the extracellular matrix, which comprises mobilizing growth factors and processing surface molecules.
View Article and Find Full Text PDFAddressing global energy demand, researchers sought eco-friendly biobutanol production from lignocellulosic waste biomass. In the present research work, five different pre-treatment methods viz., Microwave, Ultrasound, Alkali, Acid, and Hybrid, were investigated to explore its biobutanol production potential by utilizing Pleurotus ostreatus spent as substrate.
View Article and Find Full Text PDFEstimating the error in the merged reflection intensities requires a full understanding of all the possible sources of error arising from the measurements. Most diffraction-spot integration methods focus mainly on errors arising from counting statistics for the estimation of uncertainties associated with the reflection intensities. This treatment may be incomplete and partly inadequate.
View Article and Find Full Text PDFBackground: Obesity in pregnancy is associated with a number of adverse outcomes. The effects of central versus general obesity in pregnancy have not been well established.
Aim: To compare subcutaneous fat thickness (SFT) with body mass index (BMI) as a marker for pregnancy outcomes.