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Journal articles on the topic 'Root-mean-square fluctuation'

Author: Grafiati

Published: 6 September 2023

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1

Cai, Jian-Cheng, Hao-Jie Chen, Volodymyr Brazhenko, and Yi-Hong Gu. "Study of the Hydrodynamic Unsteady Flow Inside a Centrifugal Fan and Its Downstream Pipe Using Detached Eddy Simulation." Sustainability 13, no. 9 (2021): 5113. http://dx.doi.org/10.3390/su13095113.

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The detailed unsteady turbulent flow inside a centrifugal fan and its downstream pipe was studied using detached eddy simulation (DES) at three flowrates, namely, the best efficiency point (BEP), 0.75BEP, and 1.49BEP. Both the mean and fluctuating flow fields were analyzed on the basis of the root-mean-square value as the indication of fluctuating intensity. Results showed that the pressure fluctuation had the minimum value at BEP, but the velocity fluctuation increased with the flowrate. Most regions inside the centrifugal fan underwent large pressure fluctuation with the magnitude of about 1

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2

Lu, Tao, Su Mei Liu, Ping Wang, and Wei Yyu Zhu. "Larger-Eddy Simulation of Velocity Fluctuation in a Mixing T-Junction." Applied Mechanics and Materials 152-154 (January 2012): 1313–18. http://dx.doi.org/10.4028/www.scientific.net/amm.152-154.1313.

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Velocity fluctuations in a mixing T-junction were simulated in FLUENT using large-eddy simulation (LES) turbulent flow model with sub-grid scale (SGS) Smagorinsky–Lilly (SL) model. The normalized mean and root mean square velocities are used to describe the time-averaged velocities and the velocities fluctuation intensities. Comparison of the numerical results with experimental data shows that the LES model is valid for predicting the flow of mixing in a T-junction junction. The numerical results reveal the velocity distributions and fluctuations are basically symmetrical and the fluctuation a

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3

Suzuki, Y., M. Kiya, T. Sampo, and Y. Naka. "Pressure Fluctuations on the Surface of a Hemisphere Immersed in a Thick Turbulent Boundary Layer." Journal of Fluids Engineering 109, no. 2 (1987): 130–35. http://dx.doi.org/10.1115/1.3242632.

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Statistical properties of pressure fluctuations on the surface of a hemisphere immersed in a thick turbulent boundary layer are described. The height of the hemisphere tested was 0.275 thicknesses of the boundary layer. Reynolds number based on the model diameter D and the time-mean approaching flow velocity at the level of the top Ur was 3.0 × 105. Time-mean and root-mean-square (rms) values, probability density and power spectra of the pressure fluctuations are presented and discussed. The pressure fluctuations are related to the fluctuating approaching-flow velocity in terms of the pressure

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4

Tsekov, Roumen. "Brownian Emitters." Fluctuation and Noise Letters 15, no. 04 (2016): 1650022. http://dx.doi.org/10.1142/s021947751650022x.

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A Brownian harmonic oscillator, which dissipates energy either by friction or via emission of electromagnetic radiation, is considered. This Brownian emitter is driven by the surrounding thermo-quantum fluctuations, which are theoretically described by the fluctuation–dissipation theorem. It is shown how the Abraham–Lorentz force leads to dependence of the half-width on the peak frequency of the oscillator amplitude spectral density. It is found that for the case of a charged particle moving in vacuum at zero temperature, its root-mean-square velocity fluctuation is a universal constant, equal

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Li, Yuepeng, Liuyue Wang, Xun Zou, Jihong Qu, and Gang Bai. "Experimental and Simulation Research on the Process of Nitrogen Migration and Transformation in the Fluctuation Zone of Groundwater Level." Applied Sciences 12, no. 8 (2022): 3742. http://dx.doi.org/10.3390/app12083742.

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The fluctuation of groundwater causes a change in the groundwater environment and then affects the migration and transformation of pollutants. To study the influence of water level fluctuations on nitrogen migration and transformation, physical experiments on the nitrogen migration and transformation process in the groundwater level fluctuation zone were carried out. A numerical model of nitrogen migration in the Vadose zone and the saturated zone was constructed by using the software HydrUS-1D. The correlation coefficient and the root mean square error of the model show that the model fits we

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6

Saavedra, L. G. P. "Geometric Factors in Electromagnetic Field Commutators and the Quantum Information Control of Vacuum Fluctuations." Open Systems & Information Dynamics 14, no. 03 (2007): 319–32. http://dx.doi.org/10.1007/s11080-007-9055-1.

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The electromagnetic field commutation relations are defined in terms of geometric factors that are double averages over two finite four-dimensional space-time regions. The square root of any of the uncertainty relations derived from the aforementioned commutators is taken as a critical field, in the sense that any electromagnetic field much larger than it can be treated as classical. Another critical electromagnetic field associated with the quantum information control of vacuum fluctuations can be chosen as the square root of the mean quadratic fluctuation of each quantity of electromagnetic

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7

Cho, Soo-Hwan, and Sang-Gyun Kang. "Application of the Combined Kalman Filter and Root-Mean-Square Method to Detection of Voltage Fluctuation." Advanced Science Letters 8, no. 1 (2012): 649–53. http://dx.doi.org/10.1166/asl.2012.2457.

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8

Kysela, Bohuš, Jiří Konfršt, Ivan Fořt, Michal Kotek, and Zdeněk Chára. "Study of the Turbulent Flow Structure around a Standard Rushton Impeller." Chemical and Process Engineering 35, no. 1 (2014): 137–47. http://dx.doi.org/10.2478/cpe-2014-0010.

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Abstract The velocity field around the standard Rushton turbine was investigated by the Laser Doppler Anemometry (LDA) and Particle Image Velocimetry (PIV) measurements. The mean ensembleaveraged velocity profiles and root mean square values of fluctuations were evaluated at two different regions. The first one was in the discharge stream in the radial direction from the impeller where the radial flow is dominant and it is commonly modelled as a swirling turbulent jet. The validity range of the turbulent jet model was studied. The second evaluated region is under the impeller where flow seems

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Spangler, S. R. "The small amplitude of density turbulence in the inner solar wind." Nonlinear Processes in Geophysics 10, no. 1/2 (2003): 113–20. http://dx.doi.org/10.5194/npg-10-113-2003.

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Abstract. Very Long Baseline Interferometer (VLBI) observations were made of radio sources close to the Sun, whose lines of sight pass through the inner solar wind (impact parameters 16-26 RE). Power spectra were analyzed of the interferometer phase fluctuations due to the solar wind plasma. These power spectra provide information on the level of plasma density fluctuations on spatial scales of roughly one hundred to several thousand kilometers. By specifying an outer scale to the turbulence spectrum, we can estimate the root-mean-square (rms) amplitude of the density fluctuations. The data in

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10

Lu, Tao, Yong Wei Wang, and Ping Wang. "Large Eddy Simulation with Three Kinds of Sub-Grid Scale Model on Temperature Fluctuation of Hot and Cold Fluids Mixing in a Tee." Applied Mechanics and Materials 152-154 (January 2012): 1307–12. http://dx.doi.org/10.4028/www.scientific.net/amm.152-154.1307.

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In the present work the temperature fluctuations in a mixing tee were simulated on FLUENT platform using the large-eddy simulation (LES) turbulent flow model with three kinds of sub-grid scale (SGS) models such as Smagorinsky-Lilly (SL) model, Wall-adapted Local Eddy-viscosity (WALE) model, and Kinetic-energy transport (KET) model. The normalized mean and root mean square temperatures were predicted and analyzed with consideration of buoyancy. The numerical results showed that buoyancy greatly influences the mixing flow and the thermal striping phenomena were quite obvious. These three SGS mod

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11

Fu, Zhengqing, Guolin Liu, Lanlan Guo, Weike Liu, and Hua Guo. "Nonlinear Least Square Based on Control Direction by Dual Method and Its Application." Mathematical Problems in Engineering 2016 (2016): 1–5. http://dx.doi.org/10.1155/2016/7094157.

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A direction controlled nonlinear least square (NLS) estimation algorithm using the primal-dual method is proposed. The least square model is transformed into the primal-dual model; then direction of iteration can be controlled by duality. The iterative algorithm is designed. The Hilbert morbid matrix is processed by the new model and the least square estimate and ridge estimate. The main research method is to combine qualitative analysis and quantitative analysis. The deviation between estimated values and the true value and the estimated residuals fluctuation of different methods are used for

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12

Mei, Renwei, R. J. Adrian, and T. J. Hanratty. "Turbulent Dispersion of Heavy Particles With Nonlinear Drag." Journal of Fluids Engineering 119, no. 1 (1997): 170–79. http://dx.doi.org/10.1115/1.2819104.

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The analysis of Reeks (1977) for particle dispersion in isotropic turbulence is extended so as to include a nonlinear drag law. The principal issue is the evaluation of the inertial time constants, βα−1, and the mean slip. Unlike what is found for the Stokesian drag, the time constants are functions of the slip velocity and are anisotropic. For settling velocity, VT, much larger than root-mean-square of the fluid velocity fluctuations, u0, the mean slip is given by VT. For VT→0, the mean slip is related to turbulent velocity fluctuation by assuming that fluctuations in βα are small compared to

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13

Badshah, Syed Lal, Abdul Naeem Khan, and Yahia Nasser Mabkhot. "Molecular Dynamics Simulation of Cholera Toxin A-1 Polypeptide." Open Chemistry 14, no. 1 (2016): 188–96. http://dx.doi.org/10.1515/chem-2016-0021.

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AbstractA molecular dynamics (MD) simulation study of the enzymatic portion of cholera toxin; cholera toxin A-1 polypeptide (CTA1) was performed at 283, 310 and 323 K. From total energy analysis it was observed that this toxin is stable thermodynamically and these outcomes were likewise confirmed by root mean square deviations (RMSD) investigations. The Cα root mean square fluctuation (RMSF) examinations revealed that there are a number of residues inside CTA1, which can be used as target for designing and synthesizing inhibitory drugs, in order to inactivate cholera toxin inside the human bod

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14

Tian, Wei, and Xin Cheng Ren. "Simulation on Composite Backscattering from Rough Surface with Target above it." Advanced Materials Research 490-495 (March 2012): 603–7. http://dx.doi.org/10.4028/www.scientific.net/amr.490-495.603.

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One-dimensional Gaussion rough surface is simulated and employed by Monte Carlo Method, the composite backscattering from one-dimensional Gaussion rough surface with rectangular cross-section column above it is studied using Method of Moment. The curves of composite backscattering coefficient with scattering angle and frequency of incident wave are simulated by numerical calculation, the influence of the root mean square and the correlation length of rough surface fluctuation, the height between the center of the rectangular cross-section column and the rough surface, the length and the width

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15

Kasagi, N., Y. Tomita, and A. Kuroda. "Direct Numerical Simulation of Passive Scalar Field in a Turbulent Channel Flow." Journal of Heat Transfer 114, no. 3 (1992): 598–606. http://dx.doi.org/10.1115/1.2911323.

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A direct numerical simulation (DNS) of the fully developed thermal field in a two-dimensional turbulent channel flow of air was carried out. The isoflux condition was imposed on the two walls so that the local mean temperature increased linearly in the streamwise direction. With any buoyancy effect neglected, temperature was considered as a passive scalar. The computation was executed on 1,589,248 grid points by using a spectral method. The statistics obtained were root-mean-square temperature fluctuations, turbulent heat fluxes, turbulent Prandtl number, and dissipation time scales. They agre

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16

Tang, Hsin-Chieh, and Calvin Yu-Chian Chen. "Design of Glucagon-Like Peptide-1 Receptor Agonist for Diabetes Mellitus from Traditional Chinese Medicine." Evidence-Based Complementary and Alternative Medicine 2014 (2014): 1–17. http://dx.doi.org/10.1155/2014/385120.

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Glucagon-like peptide-1 (GLP-1) is a promising target for diabetes mellitus (DM) therapy and reduces the occurrence of diabetes due to obesity. However, GLP-1 will be hydrolyzed soon by the enzyme dipeptidyl peptidase-4 (DPP-4). We tried to design small molecular drugs for GLP-1 receptor agonist from the world's largest traditional Chinese medicine (TCM) Database@Taiwan. According to docking results of virtual screening, we selected 2 TCM compounds, wenyujinoside and 28-deglucosylchikusetsusaponin IV, for further molecular dynamics (MD) simulation. GLP-1 was assigned as the control compound. B

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17

PRECUPAS, Aurica, and Sorana IONESCU. "Exploring the interaction of 5,6- benzocoumarin-3-carboxylic acid with bovine serum albumin at the molecular level: A biophysical investigation using molecular dynamics." Revue Roumaine de Chimie 66, no. 1 (2021): 49–58. http://dx.doi.org/10.33224/rrch.2021.66.1.05.

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In this work, molecular dynamics (MD) is used to monitor the conformational space spanned by a ligand when in the binding pocket of a protein. 5,6-benzocoumarin-3-carboxylic acid was chosen as it is a relatively rigid molecule, with only one rotational degree of freedom, useful in its simplicity, whereas bovine serum albumin was used as a model protein. The initial geometry of the protein-ligand complex was obtained by molecular docking. The MD simulation was carried out for 90 ns and the dynamic evolution of the system was explored based on the usual parameters: root mean square deviation (RM

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18

Kobayashi, Ayame, Motokuni Nakajima, Yoh Noguchi, Ryota Morikawa, Yukiko Matsuo, and Masako Takasu. "Molecular Dynamics Simulation of the Complex of PDE5 and Evodiamine." Life 13, no. 2 (2023): 578. http://dx.doi.org/10.3390/life13020578.

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Alzheimer’s disease is an irreversible neurological disorder for which there are no effective small molecule therapeutics. A phosphodiesterase 5 (PDE5) inhibitor is a candidate medicine for the treatment of Alzheimer’s disease. Rutaecarpine, an indole alkaloid found in Euodiae Fructus, has inhibitory activity for PDE5. Euodiae Fructus contains more evodiamine than rutaecarpine. Therefore, we performed molecular dynamics simulations of the complex of PDE5 and evodiamine. The results showed that the PDE5 and (−)-evodiamine complexes were placed inside the reaction center compared to the case of

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19

ZHANG, WEI, ZIJIAN XU, and ZHIYUAN ZHU. "STUDY OF THERMAL STABILITY OF FULLERENES BY MOLECULAR DYNAMICS." International Journal of Modern Physics B 19, no. 15n17 (2005): 2892–98. http://dx.doi.org/10.1142/s0217979205031870.

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The thermal stability of fullerene C20, C26, C36 and C60 is studied using Molecular Dynamics (MD) simulation based on Brenner potential in this work. Lindemann's relative root-mean-square (rms) bond-length fluctuation is used to monitor the behavior of the structural and thermal properties. The results show that the rms bond-length fluctuation becomes scattered points at relative high tempereture, which is caused by different isomerization transitions. Larger fullerenes are found to be more stable than small ones. The results are compared with those from MD simulation based on TLHT potential.

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20

Wu, Tiecheng, Wanzhen Luo, Dapeng Jiang, Rui Deng, and Yulong Li. "Stereo Particle Image Velocimetry Measurements of the Wake Fields Behind A Panamax Bulker Ship Model Under the Ballast Condition." Journal of Marine Science and Engineering 8, no. 6 (2020): 397. http://dx.doi.org/10.3390/jmse8060397.

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Particle image velocimetry is applied in this study to measure the wake flow field of a Panamax Bulker ship model under the ballast condition. This investigation revealed that the Froude number is 0.167. The time-averaged velocity, turbulent fluctuations, turbulent kinetic energy (TKE), Reynolds stresses, and vorticity information were measured to perform a comparison with the design condition. The time-averaged velocity contours indicated that the ballast and design conditions have distinct hook-like axial velocity contours; however, they appeared at different positions. The big difference un

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21

Ammer, Mohammed Abdullah, and Theyazn H. H. Aldhyani. "Deep Learning Algorithm to Predict Cryptocurrency Fluctuation Prices: Increasing Investment Awareness." Electronics 11, no. 15 (2022): 2349. http://dx.doi.org/10.3390/electronics11152349.

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Digital currencies such as Ethereum and XRP allow for all transactions to be carried out online. To emphasize the decentralized nature of fiat currency, we can refer, for example, to the fact that all virtual currency users may access services without third-party involvement. Cryptocurrency price swings are non-stationary and highly erratic, similarly to the price changes of conventional stocks. Owing to the appeal of cryptocurrencies, both investors and researchers have paid more attention to cryptocurrency price forecasts. With the rise of deep learning, cryptocurrency forecasting has gained

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22

Manshadi, M. D., and M. K. Esfeh. "Experimental investigation of flowfield over an iced aerofoil." Aeronautical Journal 120, no. 1227 (2016): 735–56. http://dx.doi.org/10.1017/aer.2016.29.

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ABSTRACTWind-tunnel measurements were used to study the characteristics of the unsteady separation bubbles on a NACA 0015 aerofoil with simulated two-dimensional leading-edge glaze ice accretions. The unsteadiness present in the iced-aerofoil flowfield was determined using measurements of the time-dependent aerofoil surface pressure distribution at Reynolds number of 1.0 × 106. Additionally, the unsteady flow features were investigated through the power spectrum of the stream-wise velocity fluctuations using a hot-wire anemometry. The results showed that the highest value of root-mean-square f

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Choi, Seok-Ki, and Seong-O. Kim. "Evaluation of Turbulence Models for Thermal Striping in a Triple Jet." Journal of Pressure Vessel Technology 129, no. 4 (2006): 583–92. http://dx.doi.org/10.1115/1.2767337.

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A computational study for an evaluation of the current turbulence models for the prediction of a thermal striping in a triple jet is performed. The tested turbulence models are the two-layer model, the shear stress transport model, and the elliptic relaxation model. These three turbulence models are applied to the prediction of a thermal striping in a triple jet in which detailed experimental data are available. The predicted time-averaged and root-mean-square values of the temperature are compared with the experimental data, and the capability of predicting the oscillatory behavior of the ens

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Elfita, Lina, Anjas Apriadi, Supandi Supandi та Shanifa Dianmurdedi. "Studi Penambatan Molekuler dan Simulasi Dinamika Molekuler Senyawa Turunan Furanokumarin terhadap Reseptor Estrogen Alfa (ER-α) Sebagai Anti Kanker Payudara". Jurnal Sains Farmasi & Klinis 9, № 3 (2023): 255. http://dx.doi.org/10.25077/jsfk.9.3.255-264.2022.

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Kanker payudara menjadi salah satu jenis kanker dengan penderita terbanyak baik di dunia maupun di Indonesia, Reseptor Estrogen Alfa (ER-α) menjadi target utama karena dapat mengatur transkripsi gen dan jalur persinyalan interseluler. Penelitian ini bertujuan untuk menganalisis afinitas dan kestabilan ikatan kompleks ligan senyawa turunan furanokumarin dengan reseptor estrogen alfa. Metode yang digunakan secara in silico atau komputasi yaitu penambatan molekuler menggunakan software AutoDock dan simulasi dinamika molekuler menggunakan software Gromacs. Hasil penambatan molekuler senyawa Bergam

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Fatriansyah, Jaka Fajar, Ara Gamaliel Boanerges, Syarafina Ramadhanisa Kurnianto, Agrin Febrian Pradana, Fadilah, and Siti Norasmah Surip. "Molecular Dynamics Simulation of Ligands from Anredera cordifolia (Binahong) to the Main Protease (Mpro) of SARS-CoV-2." Journal of Tropical Medicine 2022 (November 22, 2022): 1–13. http://dx.doi.org/10.1155/2022/1178228.

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COVID-19 in Indonesia is considered to be entering the endemic phase, and the population is expected to live side by side with the SARS-CoV 2 viruses and their variants. In this study, procyanidin, oleic acid, methyl linoleic acid, and vitexin, four compounds from binahong leaves-tropical/subtropical plant, were examined for their interactions with the major protease (Mpro) of the SARS-CoV 2 virus. Molecular dynamics simulation shows that procyanidin and vitexin have the best docking scores of −9.132 and −8.433, respectively. Molecular dynamics simulation also shows that procyanidin and vitexi

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Renadi, Sedin, Anindita Tri Kusuma Pratita, Richa Mardianingrum, and Ruswanto Ruswanto. "The Potency of Alkaloid Derivates as Anti-Breast Cancer Candidates: In Silico Study." Jurnal Kimia Valensi 9, no. 1 (2023): 89–108. http://dx.doi.org/10.15408/jkv.v9i1.31481.

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Breast cancer is the most frequent malignancy in women worldwide. One of the target receptors for the treatment of breast cancer are estrogen, progesterone, and HER2 receptors. An alternative treatment using natural ingredients has been developed, one of which is alkaloid compounds. This study aims to determine the activity of alkaloid compounds as anti-breast cancer agents through an in-silico method. Virtual screening (AutoDock Vina), molecular docking (AutoDock Tools), molecular dynamics (Desmond), scanning Lipinski's rule of five, as well as pharmacokinetic and toxicity parameters, were pe

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Liu, Keyang, Hongyang Li, Xinliang Wang, Yanqi Liu, Liwei Song, and Yuxin Leng. "Timing Fluctuation Correction of A Femtosecond Regenerative Amplifier." Crystals 11, no. 10 (2021): 1242. http://dx.doi.org/10.3390/cryst11101242.

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We report on the long-term correction of a timing fluctuation between the femtosecond regenerative amplifier and the reference oscillator for the seed 100 PW laser system in the Station of Extreme Light (SEL). The timing fluctuation was characterized by a noncollinear balanced optical cross-correlator that maps the time difference to the sum frequency intensity of the amplifier and oscillator laser pulses. A feedback loop was employed to correct the timing jitter by adjusting the time delay line in the amplifier beam path. The timing fluctuation was reduced to 1.26 fs root-mean-square from hun

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Ogami, Y., K. Nishiwaki, and Y. Yoshihara. "ANALYSIS OF ENERGY SPECTRA BY THE VORTEX METHOD WITH ARTIFICIAL TURBULENCE." Revista de Engenharia Térmica 3, no. 2 (2004): 143. http://dx.doi.org/10.5380/reterm.v3i2.3528.

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First, in order to use as an inlet condition for turbulent simulation, a method is presentedwhich produces numerically an artificial turbulence, namely, a series of velocity fluctuationsof which frequency is Gaussian, and energy spectrum and root mean square correspond tothe given ones. Besides, the fluctuation data are determined by the characteristic parametersof turbulent flows such as the inlet mean velocity, the kinematic viscosity, the Kolmogorovscale and the integral time scale. Our examples show excellent accuracy and flexibility ofthe method. Second

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Takahashi, F., M. D. Vangsness, M. D. Durbin, and W. J. Schmoll. "Structure of Turbulent Hydrogen Jet Diffusion Flames With or Without Swirl." Journal of Heat Transfer 118, no. 4 (1996): 877–84. http://dx.doi.org/10.1115/1.2822583.

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The near-field turbulent structure of double-concentric hydrogen-air jet diffusion flames, with or without swirl, has been investigated using conditionally sampled, three-component laser-Doppler velocimetry and coherent anti-Stokes Raman spectroscopy. The turbulent flame zone became thinner and shifted inward as the mean jet velocity was increased, whereas swirl created a radial velocity even at the jet-exit plane, thereby broadening and shifting the flame zone outward. The probability-density functions of velocity components, their 21 moments (up to fourth order), mean temperature, and root-m

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Arianie, Lucy, Feri Eko Hermanto, Elvina Dhiaul Iftitah, Warsito Warsito, and Nashi Widodo. "Novel Antimalarial Drug Screening Based on Methyl Eugenol, Cinnamaldehyde, and Thiosemicarbazone with Cysteine Protease Inhibition: In Silico Molecular Docking, Molecular Dynamics, and ADMET Studies." Journal of Pure and Applied Chemistry Research 11, no. 2 (2022): 102–12. http://dx.doi.org/10.21776/ub.jpacr.2022.011.02.652.

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Plasmodium falciparum malaria contributes to significant global diseases. Computer-aided drug design, screening, and discovery were used to analyze a novel series of Methyl Eugenol Benzaldehyde Thiosemicarbazone (MEBThi) and Methyl Eugenol Cinnamaldehyde Thiosemicarbazone (MECThi) derivatives for malaria falciparum inhibition. This present study showed that 16 molecules from 28 of MEBThi and MECThi have affinities and interaction with active-site residues of cysteine protease, a key player in erythrocyte proliferation of P. falciparum. 13-MECThi demonstrates the best binding affinity at ˗8.0 k

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Zhang, Yi, Ting-jian Zhang, Shun Tu, Zhen-hao Zhang, and Fan-hao Meng. "Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations." Molecules 25, no. 18 (2020): 4094. http://dx.doi.org/10.3390/molecules25184094.

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Src plays a crucial role in many signaling pathways and contributes to a variety of cancers. Therefore, Src has long been considered an attractive drug target in oncology. However, the development of Src inhibitors with selectivity and novelty has been challenging. In the present study, pharmacophore-based virtual screening and molecular docking were carried out to identify potential Src inhibitors. A total of 891 molecules were obtained after pharmacophore-based virtual screening, and 10 molecules with high docking scores and strong interactions were selected as potential active molecules for

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SHITYAKOV, SERGEY, and THOMAS DANDEKAR. "MOLECULAR DYNAMICS SIMULATION OF POPC AND POPE LIPID MEMBRANE BILAYERS ENFORCED BY AN INTERCALATED SINGLE-WALL CARBON NANOTUBE." Nano 06, no. 01 (2011): 19–29. http://dx.doi.org/10.1142/s1793292011002317.

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Using classical all-atom molecular dynamics simulation, we investigated the molecular dynamics of palmitoyloleoylphosphatidylcholine and palmitoyloleoylphosphatidylethanolamine membrane bilayers enforced by a single-wall carbon nanotube. We postulated that an insertion of a single-wall carbon nanotube in the center of lipid membrane "strengthens" ambient lipids and prevents the whole system from further destabilization by high temperatures. We implemented root mean square deviation and root mean square fluctuation analyses of simulated structures from their initial states in order to emphasize

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Wang, Bowen, Xiang Peng, Haidong Wang, Yang Liu, and Hong Guo. "Laser-frequency stabilization with differential single-beam saturated absorption spectroscopy of ⁴He atoms." Review of Scientific Instruments 93, no. 4 (2022): 043001. http://dx.doi.org/10.1063/5.0084605.

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Differential single-beam saturated-absorption spectroscopy (DSSAS) is proposed to stabilize lasing frequency and suppress Doppler-broadened background and common-mode optical noise. The spectral first-derivative demodulated signal of metastable [Formula: see text] atoms is used as an error signal to stabilize a fiber laser around 1083 nm. Experimental results show that, compared with existing non-DSSAS frequency stabilization, DSSAS stabilization produces better stability and lower fluctuations, especially for frequency-noise-corrupted lasers. In DSSAS stabilization, for data acquired over 700

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Alomair, Lamya, Sabeena Mustafa, Mohsin Saleet Jafri, et al. "Molecular Dynamics Simulations to Decipher the Role of Phosphorylation of SARS-CoV-2 Nonstructural Proteins (nsps) in Viral Replication." Viruses 14, no. 11 (2022): 2436. http://dx.doi.org/10.3390/v14112436.

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Protein phosphorylation is a post-translational modification that enables various cellular activities and plays essential roles in protein interactions. Phosphorylation is an important process for the replication of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). To shed more light on the effects of phosphorylation, we used an ensemble of neural networks to predict potential kinases that might phosphorylate SARS-CoV-2 nonstructural proteins (nsps) and molecular dynamics (MD) simulations to investigate the effects of phosphorylation on nsps structure, which could be a potential in

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Gao, Tianyun, Heiko Schmidt, Marten Klein, et al. "One-dimensional turbulence modeling of compressible flows. I. Conservative Eulerian formulation and application to supersonic channel flow." Physics of Fluids 35, no. 3 (2023): 035115. http://dx.doi.org/10.1063/5.0125514.

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Accurate but economical modeling of supersonic turbulent boundary layers is a standing challenge due to the intricate entanglement of temperature, density, and velocity fluctuations on top of the mean-field variation. Application of the van Driest transformation may describe well the mean state but cannot provide detailed flow information. This lack-in modeling coarse and fine-scale variability is addressed by the present study using a stochastic one-dimensional turbulence (ODT) model. ODT is a simulation methodology that represents the evolution of turbulent flow in a low-dimensional stochast

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Ignatchenko, V. A., and D. S. Polukhin. "Spin and Elastic Waves with the Random Coupling Parameter." Solid State Phenomena 190 (June 2012): 51–54. http://dx.doi.org/10.4028/www.scientific.net/ssp.190.51.

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Dynamic susceptibilities (Greens function) in a system of two wave fields of different physical nature connected by the zero-mean random coupling parameter are studied. Magnetoelastic waves in zero-mean magnetostrictive media are considered. It is shown that the Greens functions of the spin and elastic waves at the intersection of the initial dispersion laws have the form of broad single-mode peaks with the fine structure on the tops of these peaks: the narrow resonance on the top of and the narrow antiresonance on the top of . For the long-wave inhomogeneities the widths of the broad peaks an

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Shao, Dongqing, Qun Zhang, Peng Xu, and Zhouting Jiang. "Effects of the Temperature and Salt Concentration on the Structural Characteristics of the Protein (PDB Code 1BBL)." Polymers 14, no. 11 (2022): 2134. http://dx.doi.org/10.3390/polym14112134.

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The effect of the temperature and salt solution on the structural characteristics of the protein 1BBL was investigated by molecular dynamics simulations. The paper presents simulation results regarding the non-bonded energy and the structural stability of the protein immersed in salt solutions with different concentrations and temperatures. Our work demonstrates that the electrostatic potential energy and van der Waals energy of the system show the opposite changes with the influence of the external environment. Since the electrostatic potential energy changes more obviously, it is dominated i

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Huang, Wantao, Yang Li, Peng Zhang, Lujun Fang, and Dong Hou. "Femtosecond-Level Frequency Transfer at 10 GHz over Long Fiber Link with Optical–Electronic Joint Compensation." Applied Sciences 12, no. 21 (2022): 11262. http://dx.doi.org/10.3390/app122111262.

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We report a fiber-optic 10 GHz frequency transfer technique based on an optical–electronic joint phase compensator. A highly stable frequency signal at 10 GHz was transferred in a 50-km long fiber link by using this technique. Two key parameters of the frequency dissemination, the timing fluctuation and frequency stability were both measured. The experimental results show the root-mean-square timing fluctuation of the transferred microwave is about 103 fs within 10,000 s, and the frequency stability for the transmission link is 2.2 × 10−14 at 1 s and 8.5 × 10−17 at 2000 s. The technique propos

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Saida, Tsuyoshi, Masayuki Kawada, Daijiro Kuroki, et al. "Accelerometer Measurement of Trunk Lateral Fluctuation During Walking Following Total Knee Arthroplasty in Patients With Osteoarthritis." Journal of Aging and Physical Activity 28, no. 5 (2020): 669–74. http://dx.doi.org/10.1123/japa.2019-0149.

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This study aimed to clarify the effect of total knee arthroplasty (TKA) on trunk fluctuation and regularity of gait in patients with knee osteoarthritis by an accelerometer. The participants included 18 patients with knee osteoarthritis undergoing TKA. The gait at a comfortable velocity was assessed pre- and post-TKA by a triaxial accelerometer attached to the neck and lumbar regions. Measurement post-TKA was performed 4 weeks after surgery. Trunk fluctuation was estimated by the root mean square (RMS) of acceleration and RMS ratio (the ratio of RMS in each direction to the total RMS). Regular

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Turner, Samuel G. D., and Christopher S. Reynolds. "Investigating the theory of propagating fluctuations with numerical models of stochastic accretion discs." Monthly Notices of the Royal Astronomical Society 504, no. 1 (2021): 469–86. http://dx.doi.org/10.1093/mnras/stab875.

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ABSTRACT Across a large range of scales, accreting sources show remarkably similar patterns of variability, most notably the log-normality of the luminosity distribution and the linear root-mean square (rms)–flux relationship. These results are often explained using the theory of propagating fluctuations in which fluctuations in the viscosity create perturbations in the accretion rate at all radii, propagate inwards, and combine multiplicatively. While this idea has been extensively studied analytically in a linear regime, there has been relatively little numerical work investigating the non-l

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Duncan, James H., and Athanassios A. Dimas. "Surface ripples due to steady breaking waves." Journal of Fluid Mechanics 329 (December 25, 1996): 309–39. http://dx.doi.org/10.1017/s0022112096008932.

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Breaking waves generated by a two-dimensional hydrofoil moving near a free surface at constant speed (U∞), angle of attack and depth of submergence were studied experimentally. The measurements included the mean and fluctuating shape of the breaking wave, the surface ripples downstream of the breaker and the vertical distribution of vertical and horizontal velocity fluctuations at a single station behind the breaking waves. The spectrum of the ripples is highly peaked and shows little variation in both its peak frequency and its shape over the first three wavelengths of the wavetrain following

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Endou, Akira, Setsunari Inoue, Keiichi Setoguchi, Kimihide Miyaguchi, and Junichi Endo. "Calibration method of electromagnetic-flowmeter for LMFBR using root mean square frequency weighted by power spectral density of output voltage fluctuation." Progress in Nuclear Energy 15 (January 1985): 719–26. http://dx.doi.org/10.1016/0149-1970(85)90101-5.

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Wei, Wang Ru. "Experimental Study on Hydraulic Characteristics of X-Shape Flaring Gate Pier and Deflecting Stilling Basin United Energy Dissipator." Applied Mechanics and Materials 376 (August 2013): 279–83. http://dx.doi.org/10.4028/www.scientific.net/amm.376.279.

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In this paper, the hydraulic characteristics of X-shape flaring gate pier and deflecting stilling basin united energy dissipater are analyzed experimentally on a physical model for large discharge, such as time average impact pressure, close-to-bed velocity in stilling basin and pressure fluctuations. The results show that for large discharge, the deflecting region is the main impact region and the max impact pressure decays with increased water discharge. The close-to-bed velocity decays fast in deflecting stilling basin along the flow direction and for discharge of 14143 m3/s and 17743 m3/s,

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Shafique, Qurrat ul Ain, Hafiz Muzzammel Rehman, Tahreem Zaheer, et al. "A Computational Approach to Modeling an Antagonistic Angiogenic VEGFR1-IL2 Fusion Protein for Cancer Therapy." Bioinformatics and Biology Insights 15 (January 2021): 117793222110432. http://dx.doi.org/10.1177/11779322211043297.

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In cancer treatment, immunotherapy has great potential for improving the prognosis of patients with hematologic and solid malignancies. In this study, various bioinformatics tools and servers were used to design an antiangiogenic fusion protein. After comprehensive evaluation, an antiangiogenic fusion protein was designed using a soluble extracellular domain of human vascular endothelial growth factor receptor 1 (sVEGFR-1) and human interleukin-2 (IL-2) joined by a flexible linker. The final construct was composed of 875 amino acids. The secondary structure of the fusion protein, obtained by C

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Arba, Muhammad, Malindo Sufriadin та Daryono Hadi Tjahjono. "Identification of Phosphatidylinositol 3-kinase δ (PI3Kδ) Inhibitor: Pharmacophore-based Virtual Screening and Molecular Dynamics Simulation". Indonesian Journal of Chemistry 20, № 5 (2020): 1070. http://dx.doi.org/10.22146/ijc.47327.

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Phosphatidylinositol 3-kinase δ (PI3Kδ) is a validated drug target for the treatment of cancer. The present study aims to search for new inhibitors of PI3Kδ by employing pharmacophore modelling using LigandScout Advanced 4.3 software. The three hydrogen bond acceptors and two hydrophobic features were proposed as a pharmacophore model using LASW1976 structure. The model was then validated using the Area Under Curve (AUC) of Receiver Operating Characteristic (ROC) and GH score. It was used to screen new molecules in the ZINC database, which resulted in 599 hits. All 599 hits were then docked in

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Lopus, Merlin, D. Meshach Paul, and R. Rajasekaran. "Unraveling the Deleterious Effects of Cancer-Driven STK11 Mutants through Conformational Sampling Approach." Cancer Informatics 15 (January 2016): CIN.S38044. http://dx.doi.org/10.4137/cin.s38044.

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Tumor suppressor gene, STK11, encodes for serine-threonine kinase, which has a critical role in regulating cell growth and apoptosis. Mutations of the same lead to the inactivation of STK11, which eventually causes different types of cancer. In this study, we focused on identifying those driver mutations through analyzing structural variations of mutants, viz., D194N, E199K, L160P, and Y49D. Native and the mutants were analyzed to determine their geometrical deviations such as root-mean-square deviation, root-mean-square fluctuation, radius of gyration, potential energy, and solvent-accessible

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Li, Yang, Lijing Zhang, Yuan Tian, and Wanqiang Qi. "Research on Teaching Practice of Blended Higher Education Based on Deep Learning Route." Computational Intelligence and Neuroscience 2022 (January 13, 2022): 1–8. http://dx.doi.org/10.1155/2022/5906335.

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This paper establishes a hybrid education teaching practice quality evaluation system in colleges and constructs a hybrid teaching quality evaluation model based on a deep belief network. Karl Pearson correlation coefficient and root mean square error (RMSE) indicators are used to measure the closeness and fluctuation between the effective online teaching quality evaluation results evaluated by this method and the actual teaching quality results. The experimental results show the following: (1) As the number of iterations increases, the fitting error of the DBN model decreases significantly. W

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Tallei, Trina Ekawati, Fatimawali, Ahmad Akroman Adam, et al. "Fruit Bromelain-Derived Peptide Potentially Restrains the Attachment of SARS-CoV-2 Variants to hACE2: A Pharmacoinformatics Approach." Molecules 27, no. 1 (2022): 260. http://dx.doi.org/10.3390/molecules27010260.

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Before entering the cell, the SARS-CoV-2 spike glycoprotein receptor-binding domain (RBD) binds to the human angiotensin-converting enzyme 2 (hACE2) receptor. Hence, this RBD is a critical target for the development of antiviral agents. Recent studies have discovered that SARS-CoV-2 variants with mutations in the RBD have spread globally. The purpose of this in silico study was to determine the potential of a fruit bromelain-derived peptide. DYGAVNEVK. to inhibit the entry of various SARS-CoV-2 variants into human cells by targeting the hACE binding site within the RBD. Molecular docking analy

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Huang, Xiaoqiao, Chao Zhang, Qiong Li, Yonghang Tai, Bixuan Gao, and Junsheng Shi. "A Comparison of Hour-Ahead Solar Irradiance Forecasting Models Based on LSTM Network." Mathematical Problems in Engineering 2020 (August 26, 2020): 1–15. http://dx.doi.org/10.1155/2020/4251517.

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The intermittence and fluctuation character of solar irradiance places severe limitations on most of its applications. The precise forecast of solar irradiance is the critical factor in predicting the output power of a photovoltaic power generation system. In the present study, Model I-A and Model II-B based on traditional long short-term memory (LSTM) are discussed, and the effects of different parameters are investigated; meanwhile, Model II-AC, Model II-AD, Model II-BC, and Model II-BD based on a novel LSTM-MLP structure with two-branch input are proposed for hour-ahead solar irradiance pre

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Shreekumar, R. Kumar, and K. S. Gandhi. "Breakage of a drop of inviscid fluid due to a pressure fluctuation at its surface." Journal of Fluid Mechanics 328 (December 10, 1996): 1–17. http://dx.doi.org/10.1017/s0022112096008622.

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In this work, an attempt is made to gain a better understanding of the breakage of low-viscosity drops in turbulent flows by determining the dynamics of deformation of an inviscid drop in response to a pressure variation acting on the drop surface. Known scaling relationships between wavenumbers and frequencies, and between pressure fluctuations and velocity fluctuations in the inertial subrange are used in characterizing the pressure fluctuation. The existence of a maximum stable drop diameter dmax follows once scaling laws of turbulent flow are used to correlate the magnitude of the disrupti

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