X-ray crystal structure, NMR, DFT investigations, pharmaco-kinetic, and toxicity of sarcotrocheliol: A pyrane-based cemranoids of marine origin

69-80One of a recently discovered marine origin cembranoids has been studied experimentally and theoretically to obtain its thorough structural, electronic, spectroscopic, and biochemical activity. The exact molecular structure of sarcotrocheliol (C20H34O2) 1 has been determined for the first time using a single crystal X-ray diffraction analysis. Crystallography shows that the molecule is crystalline as an orthorhombic, space group of P212121, with a = 9.20(4) Å, b = 10.80(4) Å, c = 19.99(9) Å. 1H, 13C and DEPT-135 NMR measurements of sarcotrocheliol1have been measured in four different deuterated solvents: CDCl3, CD3CN, MeOH-d4 and DMSO-d6. Theoretical calculations have been performed to find the main structural and electronic properties of the compound and matched with the experimental properties. The density functional theory (DFT) method at B3LYP/6-311++G(d,p) level of theory has been used for all computed properties. Vibrational frequencies have been determined using DFT calculations and compared with the experimental values. Computed chemical shifts in the NMR have been determined by the GIAO method. The correlation coefficients between the calculated and experimental NMR chemical shifts have been found to be 0.92 and 0.998 for 1H and 13C NMR, respectively. Physicochemical parameters of the compound versus reference drugs have been done. The isolated compound meets the main criteria of the employed rules indicating a drug-like character. The molecular docking studies have been performed for the compound toward the breast and prostate cancers

Bridge Monitoring Using Vehicle-Induced Vibration

Due to growing traffic demand, aging civil infrastructure raises the need for reliable tools to monitor structural health conditions, usable to plan informed maintenance and emergency management. Several structures with historical and monumental importance are instrumented with structural health monitoring (SHM) systems nowadays. However, even the failure of "minor" viaducts could endanger the safety of travelers and goods. Lately, dense wireless sensor networks (WSNs) based on MEMS devices are used to cut costs and simplify the deployment of SHM systems while collecting as much information as possible. However, dense WNSs are affected by data management, synchronization, and battery replacement issues, which make them unappealing for widespread use. This study presents an original damage identification algorithm based on sparse sensor networks. Traveling vehicles are exploited to obtain spatial information and accurately identify the location of structural anomalies. The curvature influence line of the monitored bridge can be calculated by processing the acceleration response measured at a given instrumented location through a low-pass filter. In this procedure, sensors operate individually, not needing energy-consuming synchronization. The proposed identification algorithm is verified on real data collected on a steel truss bridge subject to artificially induced damage

Innovative Strategy to Improve Precision and to Save Power of a Real-Time Control Process Using an Online Adaptive Fuzzy Logic Controller

The main objective of this paper is to prove the great advantage that brings our novel approach to the intelligent control area. A set of various types of intelligent controllers have been designed to control the temperature of a room in a real-time control process in order to compare the obtained results with each other. Through a training board that allows us to control the temperature, all the used algorithms should present their best performances in this control process; therefore, our self-organized and online adaptive fuzzy logic controller (FLC) will be required to present great improvements in the control task and a real high control performance. Simulation results can show clearly that the new approach presented and tested in this work is very efficient. Thus, our adaptive and self-organizing FLC presents the best accuracy compared with the remaining used controllers, and, besides that, it can guarantee an important reduction of the power consumption during the control process

Substrate integrated waveguide (SIW) inductive window band-pass filter based on post-wall irises

In this article, we demonstrate a new inductive-window 5.245-GHz-band-pass filter based on post-wall irises by standard PcB process on Epoxy FR4 substrate. A new and easy to build microstrip-to-waveguide transition that consists of three tapers is also designed to connect the filter to standard measurement system. Both simulated results and measurements have shown insertion-loss lower than 5 dB within 14% bandwidth around 5.245 GHz and input return loss better than 25 dB over the frequency range

X-ray crystal structure, NMR, DFT investigations, pharmaco-kinetic, and toxicity of sarcotrocheliol: A pyrane-based cemranoids of marine origin

One of a recently discovered marine origin cembranoids has been studied experimentally and theoretically to obtain its thorough structural, electronic, spectroscopic, and biochemical activity. The exact molecular structure of sarcotrocheliol (C20H34O2) 1 has been determined for the first time using a single crystal X-ray diffraction analysis. Crystallography shows that the molecule is crystalline as an orthorhombic, space group of P212121, with a = 9.20(4) Å, b = 10.80(4) Å, c = 19.99(9) Å. 1H, 13C and DEPT-135 NMR measurements of sarcotrocheliol1have been measured in four different deuterated solvents: CDCl3, CD3CN, MeOH-d4 and DMSO-d6. Theoretical calculations have been performed to find the main structural and electronic properties of the compound and matched with the experimental properties. The density functional theory (DFT) method at B3LYP/6-311++G(d,p) level of theory has been used for all computed properties. Vibrational frequencies have been determined using DFT calculations and compared with the experimental values. Computed chemical shifts in the NMR have been determined by the GIAO method. The correlation coefficients between the calculated and experimental NMR chemical shifts have been found to be 0.92 and 0.998 for 1H and 13C NMR, respectively. Physicochemical parameters of the compound versus reference drugs have been done. The isolated compound meets the main criteria of the employed rules indicating a drug-like character. The molecular docking studies have been performed for the compound toward the breast and prostate cancers