A force-based gradient descent method for ab initio\mathit{\text{ab initio}} atomic structure relaxation

Force-based algorithms for $\mathit{\text{ab initio}}$ atomic structure relaxation, such as conjugate gradient methods, usually get stuck in the line minimization processes along search directions, where expensive $\mathit{\text{ab initio}}$ calculations are triggered frequently to test trial positions before locating the next iterate. We present a force-based gradient descent method, WANBB, that circumvents the deficiency. At each iteration, WANBB enters the line minimization process with a trial stepsize capturing the local curvature of the energy surface. The exit is controlled by an unrestrictive criterion that tends to accept early trials. These two ingredients streamline the line minimization process in WANBB. The numerical simulations on nearly 80 systems with good universality demonstrate the considerable compression of WANBB on the cost for the unaccepted trials compared with conjugate gradient methods. We also observe across the board significant and universal speedups as well as the superior robustness of WANBB over several widely used methods. The latter point is theoretically established. The implementation of WANBB is pretty simple, in that no a priori physical knowledge is required and only two parameters are present without tuning.Comment: 8 pages, 9 figure

Ferulic Acid against Cyclophosphamide-Induced Heart Toxicity in Mice by Inhibiting NF- κ

The purpose of the present study was to elucidate the protective effects of ferulic acid (FA) against cyclophosphamide- (CTX-) induced changes in mice. Forty-eight male ICR mice were divided into four groups. Control group was intraperitoneally (i.p.) injected with 200 μL of phosphate buffer saline (PBS). Model group was intraperitoneally injected with a single dose of CTX (200 mg/kg). FA (50 mg/kg) and FA (100 mg/kg) groups were intraperitoneally injected with a single dose of CTX (200 mg/kg) followed by the intragastric treatment with FA (50, 100 mg/kg) for 7 consecutive days. After 12 d, the mice were sacrificed to analyze the hematological, biochemical, histological parameters and mechanism research. The results indicated that FA significantly decreased the serum levels of alanine aminotransferase (ALT), aspartate aminotransferase (AST), creatine kinase (CK), lactate dehydrogenase (LDH), interleukin-6 (IL-6), IL-1β, and tumor necrosis factor-α (TNF-α) in CTX-injected mice. In addition, FA effectively reduced the total numbers of white blood cells (WBCs), red blood cells, platelets, and hemoglobin content. FA also obviously attenuated the histological changes of the heart tissues caused by CTX. Moreover, Western blot demonstrated that FA inhibited the phosphorylations of NF-κB signaling pathway in CTX-stimulated cardiac tissues. In conclusion, FA might be considered as an effective agent in the amelioration of the heart toxicity resulting from CTX treatment

Breast cancer is associated with coronary heart disease: a cross-sectional survey of NHANES 1999–2018

BackgroundUnderstanding the correlation between female breast cancer (BC) and the prevalence of coronary heart disease (CHD) is important for developing prevention strategies and reducing the burden of female social disease. This study aimed to evaluate the relationship between BC and CHD using data from the National Health and Nutrition Examination Survey (NHANES) database from 1999 to 2018.MethodsThe study cohort included 16,149 eligible non-pregnant female participants aged 20 years or older. Logistic regression was used to analyze the relationship between BC and CHD, excluding the interaction between covariates and BC through hierarchical subgroup analysis.ResultsThe study found that participants with BC had a 2.30 times greater risk of developing CHD compared to those without BC [95% confidence interval (CI): 2.29–2.31]. After adjusting for all included covariates, BC was still significantly associated with CHD risk (odds ratio: 1.11, 95% CI: 1.10–1.12). When participants were stratified by age, education level, and prevalence of hypertension, it was evident that participants with BC had a higher risk of developing CHD compared to those without BC, although the effect of BC on CHD varied across stratification.ConclusionsOur study demonstrates the close relationship between CHD and female BC. Therefore, it is necessary to screen patients with CHD for BC and monitor BC survivors for the long-term risk of developing CHD

On E-Learning & Continuing Education for LIS Staff(Lifelong and Continuing Education in Libraries)

この論文は国立情報学研究所の学術雑誌公開支援事業により電子化されました。E-learning, or On-line learning or Networked learning, is one of the educational modes based on advanced multimedia technology, independent learning of individuals together with mutual study of members for a certain group or collectivity. Popularly, it is a manner of learning through establishing Internet platform in educational field, by which learners access educational resources using their PC, talk with teachers and discuss with other learners. E-learning, with its particular and unique features, impregnates new energy to educational development, especially the continuing education for LIS staff. In this paper, through probing into characters of E-Learning and its usage in continuing education for LIS staff, the author tries to expatiate innovations it brought about on principle, policy, environment and modes of continuing education as well as our thoughts on it and put forward suggestions on how to improve continuing education for library workers in China

Data for: Lead leaching mechanism and kinetics in electrolytic manganese anode slime

The influence of the particle size, the leaching temperature, the concentration of ammonium acetate and the leaching time on the leaching rate is discussed. The control steps of the leaching process are studied by the fitting of the kinetic model, and the kinetic equation is calculated

INFLUENCE OF THE TECHNICAL PARAMETERS ON BIOACTIVE FILMS DEPOSITED BY PULSED LASER

Pulsed laser deposition (PLD), which is a novel technique in producing thin films in the recent years, shows unique advantages for the deposition of bioactive films. Research states of the technical parameters of the pulsed laser deposited bioactive films, including substrate temperature, atmosphere pressure, energy density, wavelength, post-annealing, target, deposition rate, and thickness of the films, are systematically reviewed. Processing-microstructure-property relationships of bioactive films by pulsed laser deposition are discussed. The application prospect is pointed as well.Bioactive film, pulsed laser deposition, technical parameters

EFFECTS OF TECHNICAL PARAMETERS ON THE PULSED LASER DEPOSITED FERROELECTRIC FILMS

Pulsed laser deposition (PLD), which is a novel technique in producing thin films in the recent years, shows unique advantages for the deposition of ferroelectric films. Effects of technical parameters on the pulsed laser deposited ferroelectric films, including substrate temperature, oxygen pressure, post-annealing, buffer layer, target composition, energy density, wavelength, target-to-substrate distance, and laser pulse rate, are systematically reviewed in order to optimize these parameters. Processing-microstructure-property relationships of ferroelectric films by PLD are discussed. The application prospect is pointed as well.Ferroelectric film, pulsed laser deposition, parameters

Thiopental sodium loaded solid lipid nano-particles attenuates obesity-induced cardiac dysfunction and cardiac hypertrophy via inactivation of inflammatory pathway

This work evaluates solid lipid nanoparticles of thiopental sodium against obesity-induced cardiac dysfunction and hypertrophy and explores the possible mechanism of action. TS loaded SLNs were formulated by hot-homogenization and solvent diffusion method. TS-SLNs were scrutinized for entrapment efficiency, drug loading capacity, gastric stability, particle size, in vitro drug release. Mice were feed with the normal chow or high-fat diet for 08 weeks to induce obesity and primary cardiomyocytes. The therapeutic effects of thiopental sodium in the high fat diet (HFD) induced cardiac hypertrophy. Systolic blood pressure (SBP) was estimated at a regular time interval. At the end of the experimental study, systolic pressure left ventricular, LV end-diastolic pressure and rate of increase of LV pressure and antioxidant, apoptosis, cytokines and inflammatory scrutinized. HFD induced group mice exhibited a reduction in the body weight and enhancement of cardiac hypertrophy marker and dose-dependent treatment of thiopental sodium up-regulation the body weight and down-regulated the cardiac hypertrophy. Thiopental sodium significantly (p < .001) dose-dependently altered the antioxidant, biochemical, cardiac parameters and remodeling. Thiopental sodium significantly (p < .001) dose-dependently reduced the SBP. Thiopental sodium altered the apoptosis marker, pro-inflammatory cytokines, inflammatory parameters along with reduced the p38-MAPK level. The cardiac protective effect of thiopental sodium shed light on future therapeutic interventions in obesity and related cardiovascular complications via inflammatory pathway