scholarly journals A Monte Carlo simulation for bioprospecting the endemic New Zealand terrestrial flora for antibiotic drug leads

2017 ◽  
Author(s):  
Eric J Buenz
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
New Zealand ◽  
Natural Product ◽  
Model System ◽  
Skewed Distribution ◽  
Full Time ◽  
Full Time Equivalent ◽  
Antibiotic Drug ◽  
Natural Product Library

Natural product libraries are important tools for drug discovery. However, until now, there has not been a system to allow projections of the potential number of hits from creating these libraries. The objective of this study was to develop a stochastic model system that predicts the number of hits from creating a natural product library. A Monte Carlo simulation was developed with data from the peer-reviewed literature. Using types of endemic New Zealand terrestrial flora as examples, the number of antibacterial hits expected from creating natural product libraries were calculated. The model predicts the following bounds for the 90% range of validated antibiotic leads for the categories of the terrestrial endemic flora of New Zealand with a right skewed distribution: [grasses: 1.43-6.50; liverworts: 2.75-12.5; fungi: 45.2-207; mosses: 0.98-4.48; vascular plants: 21.4-97.8]. Furthermore, per full-time equivalent (FTE) person employed on the project, a mean of 1.31 hits (90% range 0.48-2.42) is expected. This model system allows the number of expected hits to be calculated when developing a natural product library for a therapeutic target. There is an opportunity to create a natural product library from New Zealand endemic terrestrial flora. This model is scalable to other geographic areas as well as to other therapeutic targets and screening systems.

scholarly journals A Monte Carlo simulation for bioprospecting the endemic New Zealand terrestrial flora for antibiotic drug leads

2017 ◽  
Author(s):  
Eric J Buenz
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
New Zealand ◽  
Natural Product ◽  
Model System ◽  
Skewed Distribution ◽  
Full Time ◽  
Full Time Equivalent ◽  
Antibiotic Drug ◽  
Natural Product Library

Natural product libraries are important tools for drug discovery. However, until now, there has not been a system to allow projections of the potential number of hits from creating these libraries. The objective of this study was to develop a stochastic model system that predicts the number of hits from creating a natural product library. A Monte Carlo simulation was developed with data from the peer-reviewed literature. Using types of endemic New Zealand terrestrial flora as examples, the number of antibacterial hits expected from creating natural product libraries were calculated. The model predicts the following bounds for the 90% range of validated antibiotic leads for the categories of the terrestrial endemic flora of New Zealand with a right skewed distribution: [grasses: 1.43-6.50; liverworts: 2.75-12.5; fungi: 45.2-207; mosses: 0.98-4.48; vascular plants: 21.4-97.8]. Furthermore, per full-time equivalent (FTE) person employed on the project, a mean of 1.31 hits (90% range 0.48-2.42) is expected. This model system allows the number of expected hits to be calculated when developing a natural product library for a therapeutic target. There is an opportunity to create a natural product library from New Zealand endemic terrestrial flora. This model is scalable to other geographic areas as well as to other therapeutic targets and screening systems.

Effect of Fe Addition on Ordering Kinetics in Ni3Al1-xFex System. Monte Carlo Simulation

2007 ◽  
Vol 263 ◽  
pp. 93-98 ◽  
Author(s):  
E. Partyka ◽  
Rafal Abdank-Kozubski
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Model System ◽  
Chemical Ordering ◽  
Ordering Kinetics ◽  
Ternary Element ◽  
Antisite Defects ◽  
Kinetics Of ◽  
Fe Addition

The influence of Fe admixture on ordering kinetics in Ni3Al1-xFex was studied by running Monte Carlo simulations in a model system A3B1-xCx showing similarly to Ni3Al1-xFex destabilization of the ordered phase when admixing a ternary element C. Detailed analysis of atomic jump statistics revealed a dominance of the C-atom jumps in the creation/elimination of antisite defects as well as in the migration of antisites within majority sublattice. The results elucidate the role of Fe alloying in the kinetics of chemical ordering in Ni3Al.

scholarly journals Health promotion funding, workforce recruitment and turnover in New Zealand

2015 ◽  
Vol 7 (2) ◽  
pp. 153 ◽  
Author(s):  
Sarah Lovell ◽  
Richard Egan ◽  
Lindsay Robertson ◽  
Karen Hicks
Keyword(s):  
Public Health ◽  
Health Promotion ◽  
New Zealand ◽  
Nationwide Survey ◽  
Public Health Workforce ◽  
Full Time ◽  
Full Time Equivalent ◽  
Employment Contracts ◽  
Primary Health ◽  
New Hires

INTRODUCTION: Almost a decade on from the New Zealand Primary Health Care Strategy and amidst concerns about funding of health promotion, we undertook a nationwide survey of health promotion providers. AIM: To identify trends in recruitment and turnover in New Zealand's health promotion workforce. METHODS: Surveys were sent to 160 organisations identified as having a health focus and employing one or more health promoter. Respondents, primarily health promotion managers, were asked to report budget, retention and hiring data for 1 July 2009 through 1 July 2010. RESULTS: Responses were received from 53% of organisations. Among respondents, government funding for health promotion declined by 6.3% in the year ended July 2010 and health promoter positions decreased by 7.5% (equalling 36.6 full-time equivalent positions). Among staff who left their roles, 79% also left the field of health promotion. Forty-two organisations (52%) reported employing health promoters on time-limited contracts of three years or less; this employment arrangement was particularly common in public health units (80%) and primary health organisations (57%). Among new hires, 46% (n=55) were identified as Maori. DISCUSSION: Low retention of health promoters may reflect the common use of limited-term employment contracts, which allow employers to alter staffing levels as funding changes. More than half the surveyed primary health organisations reported using fixed-term employment contracts. This may compromise health promotion understanding, culture and institutional memory in these organisations. New Zealand's commitment to addressing ethnic inequalities in health outcomes was evident in the high proportion of Maori who made up new hires. KEYWORDS: Employment; health policy; health promotion; public health; workforce

scholarly journals Monte Carlo Simulation of a Model System for Ferroelectric Phase Transition in Polymers

2007 ◽  
Vol 39 (3) ◽  
pp. 259-266
Author(s):  
Daisuke Fukuzawa ◽  
Akihiro Nishioka ◽  
Tomonori Koda ◽  
Susumu Ikeda
Keyword(s):  
Phase Transition ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Ferroelectric Phase Transition ◽  
Ferroelectric Phase ◽  
Model System

Probabilistic Risk Evaluation for Overall Stability of Composite Caisson Breakwaters in Korea

2020 ◽  
Vol 8 (3) ◽  
pp. 148
Author(s):  
Nhu Son Doan ◽  
Jungwon Huh ◽  
Van Ha Mac ◽  
Dongwook Kim ◽  
Kiseok Kwak
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Bearing Capacity ◽  
Failure Modes ◽  
Skewed Distribution ◽  
Resistance Force ◽  
First Order ◽  
Reliability Method ◽  
Overall Stability ◽  
Rubble Mound

In the present study, the overall stability of typical Korean composite caisson breakwaters that were initially designed following the conventional deterministic approach is investigated using reliability approaches. Therefore, the sensitivity of critical uncertainties regarding breakwater safety is analyzed. Uncertainty sources related to the structure, ocean conditions, and properties of the subsoil and rubble mound are considered in the reliability analysis. Sliding and overturning failures are presented as explicit equations, and three reliability methods, i.e., the mean value first-order second-moment, first-order reliability method, and Monte Carlo simulation, are applied in the evaluation process. Furthermore, the bearing capacity of the rubble mound and subsoil are analyzed using the discrete slice method conjugated with the Monte Carlo simulation. The results of this study establish that the sliding failure generally is the most frequent failure occurring among the above-mentioned overall stability failures (around 15 times more common than failures observed in the foundation). Additionally, it is found that the horizontal wave force primarily contributes to the sliding of the caisson body, whereas the friction coefficient is the main factor producing the resistance force. Furthermore, a much small probability of overturning failure implies that the overturning of a caisson around its heels uncommonly occurs during their lifetime, unlike other overall failure modes. Moreover, the failure in foundations may commonly encounter in the breakwater that has a high rubble mound structure compared with sliding mode. Particularly, the performance function of the all foundation bearing capacities presents a nonlinear behavior and positively skewed distribution when using the Monte Carlo simulation method. This phenomenon proves that simulation methods might be an appropriate approach to evaluate the bearing capacity of a breakwater foundation that can overcome several drawbacks of the conventional design approach.

Electron Scattering in Solids

1990 ◽  
Vol 48 (2) ◽  
pp. 4-5
Author(s):  
Ryuichi Shimizu ◽  
Ze-Jun Ding
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Angular Distribution ◽  
Elastic Scattering ◽  
Electron Scattering ◽  
Cross Sections ◽  
Expansion Method ◽  
Electron Excitation ◽  
Partial Wave Expansion ◽  
Backscattered Electrons

Monte Carlo simulation has been becoming most powerful tool to describe the electron scattering in solids, leading to more comprehensive understanding of the complicated mechanism of generation of various types of signals for microbeam analysis.The present paper proposes a practical model for the Monte Carlo simulation of scattering processes of a penetrating electron and the generation of the slow secondaries in solids. The model is based on the combined use of Gryzinski’s inner-shell electron excitation function and the dielectric function for taking into account the valence electron contribution in inelastic scattering processes, while the cross-sections derived by partial wave expansion method are used for describing elastic scattering processes. An improvement of the use of this elastic scattering cross-section can be seen in the success to describe the anisotropy of angular distribution of elastically backscattered electrons from Au in low energy region, shown in Fig.l. Fig.l(a) shows the elastic cross-sections of 600 eV electron for single Au-atom, clearly indicating that the angular distribution is no more smooth as expected from Rutherford scattering formula, but has the socalled lobes appearing at the large scattering angle.

Determination of Stoichiometry of GaAs Component in (Gaas)Ge Epitaxially Grown Thin Films by Electron Microprobe X-Ray Analysis

1990 ◽  
Vol 48 (2) ◽  
pp. 264-265
Author(s):  
D. R. Liu ◽  
S. S. Shinozaki ◽  
R. J. Baird
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Compound Semiconductors ◽  
Energy Dispersive Analysis ◽  
X Ray ◽  
Metastable Alloys ◽  
Lower Voltage

The epitaxially grown (GaAs)Ge thin film has been arousing much interest because it is one of metastable alloys of III-V compound semiconductors with germanium and a possible candidate in optoelectronic applications. It is important to be able to accurately determine the composition of the film, particularly whether or not the GaAs component is in stoichiometry, but x-ray energy dispersive analysis (EDS) cannot meet this need. The thickness of the film is usually about 0.5-1.5 μm. If Kα peaks are used for quantification, the accelerating voltage must be more than 10 kV in order for these peaks to be excited. Under this voltage, the generation depth of x-ray photons approaches 1 μm, as evidenced by a Monte Carlo simulation and actual x-ray intensity measurement as discussed below. If a lower voltage is used to reduce the generation depth, their L peaks have to be used. But these L peaks actually are merged as one big hump simply because the atomic numbers of these three elements are relatively small and close together, and the EDS energy resolution is limited.

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