Chorismate mutase (CM) enzymes have long served as model systems for benchmarking new methods and tools in computational chemistry. Despite the enzymes’ prominence in the literature, the extent of the roles that activation enthalpy and entropy play in catalyzing the conversion of chorismate to prephenate is still subject to debate. Knowledge of these parameters is a key piece in fully understanding ...

<p>Monitoring air pollution is a critical step towards improving public health, particularly when it comes to identifying the primary air pollutants that can have an impact on human health. Among these pollutants, particulate matter (PM) with a diameter of up to 2.5 μm (or PM2.5) is of particular concern, making it important to continuously and accurately monitor pollution related to PM. The emergence ...

First principles theoretical modeling of out-of-equilibrium processes observed in attosecond pump–probe transient absorption spectroscopy (TAS) triggering pure electron dynamics remains a challenging task, especially for heavy elements and/or core excitations containing fingerprints of scalar and spin–orbit relativistic effects. To address this, we formulate a methodology for simulating TAS within ...

Underwater vapor cavities can be generated by acoustic stimulation. When the acoustic signals from several air guns are reflected from the sea surface, the pressure drop at some locations is sufficient for cavity growth and subsequent collapse. In this paper the generation of multiple water vapor cavities and their collapses are numerically modeled and the results are validated by comparing with ...

Active Learning has always played an important part of seamen’s education. Transfer of experience have from ancient time been practiced in an active learner-centered field where unexperienced seamen got involved in their own learning by being supervised by experienced seamen, when practicing seaman related activities. This learning practice was supreme before the introduction of “modern” maritime ...

Statistics from the World Health Organization (WHO) show clear indications that some groups in society have more significant struggles than others getting the recommended amount of physical activity. One of these groups is people with intellectual disabilities, which have different functioning resulting in different needs in terms of facilitation, accessibility, and usability. Many within this group ...

Herein, we report a straightforward sequential acylation‐Finkelstein approach to achieve iodination of amine containing bioactives. The utility was demonstrated by successful radiolabelling with ¹²³I in high radiochemical yield. Moreover, microwave‐assisted Finkelstein reaction can be employed to enhance conversion and reaction rates to obtain the desired iodides. The method is of interest ...

Kubernetes default configurations do not always provide optimal security and performance for all clusters and IoT edge devices deployed, affecting the scalability of a given workload and making them vulnerable to security breaches and information leakage if misconfigured. We present an adaptive controller to identify the type of misconfiguration and its consequence threat to optimize the system ...

In this work we have explored the live-cell friendly nanoscopy method Multiple Signal Classification Algorithm (MUSICAL) for multi-colour imaging of various organelles and sub-cellular structures in the cardiomyoblast cell line H2c9. We have tested MUSICAL for fast (up to 230Hz), multi-colour time-lapse sequences of various sub-cellular structures (mitochondria, endoplasmic reticulum, microtubules, ...

In the last decades, differential synthetic aperture radar (SAR) interferometric (InSAR) (DInSAR) techniques have been used to estimate the Earth's surface deformation with high resolution. In this paper, we present an approach for increasing the quantity of permanent scattered pixels. These pixels are selected for DInSAR processing based on polarimetric information prepared by new sensors. The ...