Molecular Modeling and Computer-Designing for New Compounds Starting From Thiazolidinedione Molecule as Anti-Hyperglycemics

In the quest for novel PPAR-γ agonists as putative drugs for the treatment of type 2 diabetes, a new test set molecules were proposed as bioisosteric analogues to the anti-diabetic thiazolidine-2, 5-diones (TZDs). Virtual screening fitting study of these new molecules with the generated discovery studio (DS) common feature PPAR-γ agonist's hypothesis has predicted that most of these are active as PPAR-γ agonist and hence they are as antidiabetic-type 2 agents. Furthermore, molecular docking virtual screening for these active compounds, with the binding site of the PPAR-γ enzyme, revealed that the 2-pyrazolin-5-one and pyrazolidine-3,5-dione derivatives have higher or similar docking scores like that of the rosiglitazone. Also, the same docking study revealed that these compounds have the same binding site. This predicted that the designed proposed new molecules are considered PPAR-γ agonists active, and hence they are recommended to be synthesized as potential anti-diabetic type-2 agents.

ANALYSIS OF THE HUMAN CEPHALOMETRIC PARAMETERS IMPORTANT FOR DENTAL PRACTICE

Cephalometry is a measurement of the head by imaging, also taking into account the layer which consists of all the soft tissues of the head. Following the introduction of computed tomography (CT), 3D reconstruction of the head and neck structures and 3D analysis of angular and linear cephalometric parameters was enabled. This study aimed to determine the characteristic cephalometric parameters, using the 2D reconstruction of the multi-slice CT (MSCT) images, which are essential for computer designing of the parametric-geometric-mathematical model (PGMM) of the human skull. We conducted the study on 20 CT scans of adult patients (12 males and 8 females), taken from the radiology archive of the Clinical Center in Niš. Measurements were done on 2D reconstruction images of preselected 3D images of the human head created using MSCT. The values of 29 linear cephalometric parameters (LCP) and 20 angular cephalometric parameters (ACP) were determined. Statistically significant differences between males and females were noted for the distance between the points Sella and Supraorbitale and for the distance between the points Subspinale and Labium superius. Mean values of cephalometric parameters obtained by measurements on 2D CT images can be used to generate normative parameters which represent values used to generate 3D PGMM of the human skull. This PGMM of the skull may allow a more accurate diagnosis, better selection of treatment methods and more accurate prognosis for healing in orthodontics, implantology, oral and maxillofacial surgery.

Demonstration of Bomb Detection Using the IBM Quantum Computer

According to Copenhagen interpretation, a quantum particle can exist in a superposition of all possible states, out of which only one state is observed when it is measured. Interestingly, it has been observed that interaction with the quantum particle during measurement can also affect the outcome of the state. A scheme for interaction free measurement was proposed by Elitzur and Vaidman [Found. Phys. 23, 987 (1993)], where they used Mach Zehnder interferometer to detect whether a bomb is alive or dead. In 25 % of the cases they were able to detect that the bomb is alive without exploding it. Here, we demonstrate the above experiment using quantum computing, which can be realized in a quantum computer designing quantum circuits on it. We explicate all the cases, including whether the bomb is alive or dead by proposing new quantum circuits and executing those in QISKit as provided by IBM Quantum Experience platform and verify the obtained results.

The Cause and Treatment Strategy on Thrashing

Producing in the multiprogramming systems of the demanding paging style ,thrashing is an extreme status coming from doing page replacement. Based on some research results, the cause of thrashing is discussed with describing the feature of it. A policy of "preventing first" is presented to hold on to refrain from the thrashing ,which sets forth the concrete method of preventing and ending the thrashing. Some relating conclusions are also fit for page replacements of the computer designing in other fields.