Aplikasi AHP dalam Menentukan Kandidat Gubernur DKI Jakarta 2012-2017

July 11, 2012 was chosen as an appropriate day in constitution terms to hold the election of Jakarta\u27s regional head for the next five years. There are many assumptions and opinions from some people about who would be elected as the governor of Jakarta. A lot of criteria from the candidates of governor and vice governor can be the parameters to be the success key in becoming Jakarta\u27s number one man. This research is discussing about decision making methods from many options by using AHP (analytical hierarchy process) method. Tthe case model is the election of Jakarta\u27s governor. The research utilizes two comparative components namely Jakarta\u27s governor and candidate of vice governor, as well as five criteria such as issues about flood, transportation, economic, public services and credibility. The result of this research is the candidate with number six that should be most chosen in the election

Simulated tempering with irreversible Gibbs sampling techniques

We present here two novel algorithms for simulated tempering simulations, which break detailed balance condition (DBC) but satisfy the skewed detailed balance to ensure invariance of the target distribution. The irreversible methods we present here are based on Gibbs sampling and concern breaking DBC at the update scheme of the temperature swaps. We utilise three systems as a test bed for our methods: an MCMC simulation on a simple system described by a 1D double well potential, the Ising model and MD simulations on Alanine pentapeptide (ALA5). The relaxation times of inverse temperature, magnetic susceptibility and energy density for the Ising model indicate clear gains in sampling efficiency over conventional Gibbs sampling techniques with DBC and also over the conventionally used simulated tempering with Metropolis-Hastings (MH) scheme. Simulations on ALA5 with large number of temperatures indicate distinct gains in mixing times for inverse temperature and consequently the energy of the system compared to conventional MH. With no additional computational overhead, our methods were found to be more efficient alternatives to conventionally used simulated tempering methods with DBC. Our algorithms should be particularly advantageous in simulations of large systems with many temperature ladders, as our algorithms showed a more favorable constant scaling in Ising spin systems as compared with both reversible and irreversible MH algorithms. In future applications, our irreversible methods can also be easily tailored to utilize a given dynamical variable other than temperature to flatten rugged free energy landscapes

Acute Toxicity, Antidiarrhoeal and Antioxidant Activities of Methanolic Leaf Extract of Baphia macrocalyx in Mice

The aim of the current study was to assess the acute toxicity, antidiarrhoeal and antioxidant potentials of methanolic leaf extract of Baphia macrocalyx (BM) in mice. Acute toxicity test of BM extract was performed based on OECD guideline 423. Results revealed that the extract did not produce any changes in general behaviour, body weight or mortality of the tested mice even at the highest oral administered dose (2000 mg/kg body weight). The antidiarrhoeal effect was examined using castor oil induced diarrhoea test. Results showed that BM extract delayed the onset of diarrhoea, decreased frequency of defaecation and reduced the severity of diarrhoeal drops in a dose dependent manner at doses of (100, 500 and 1000 mg/kg), respectively. The group that received the dose of 1000 mg/kg showed a significant difference (p < 0.001) in inhibition of diarrhoeal drops compared to the control group. For the determination of antioxidant activity, lipid peroxidation assay was used and BM extract significantly (p < 0.05) counteracted rotenone induced oxidative stress in brain tissues in a graded dose. Taken together, this study showed the potential of BM in inhibition of diarrhoea and oxidative stress with no toxic effects on tested mice, suggesting the use of this plant as an antioxidant and for ethno-medical management of diarrhoea Keywords: Baphia macrocalyx; Antidiarrhoeal; Antioxidant; Acute toxicit

Work Hours and Self rated Health of Hospital Doctors in Norway and Germany. A comparative study on national samples

<p>Abstract</p> <p>Background</p> <p>The relationship between extended work hours and health is well documented among hospital doctors, but the effect of national differences in work hours on health is unexplored. The study examines the relationship between work hours and self rated health in two national samples of hospital doctors.</p> <p>Methods</p> <p>The study population consisted of representative samples of 1,260 German and 562 Norwegian hospital doctors aged 25-65 years (N = 1,822) who received postal questionnaires in 2006 (Germany) and 2008 (Norway). The questionnaires contained items on demography, work hours (number of hours per workday and on-call per month) and self rated subjective health on a five point scale - dichotomized into "good" (above average) and "average or below".</p> <p>Results</p> <p>Compared to Norway, a significantly higher proportion of German doctors exceeded a 9 hour work day (58.8% vs. 26.7%) and 60 hours on-call per month (63.4% vs. 18.3%). Every third (32.2%) hospital doctor in Germany worked more than this, while this pattern was rare in Norway (2.9%). In a logistic regression model, working in Norway (OR 4.17; 95% CI 3.02-5.73), age 25-44 years (OR 1.66; 95% CI 1.29-2.14) and not exceeding 9 hour work day and 60 hours on-call per month (OR 1.35; 95% CI 1.03-1.77) were all independent significant predictors of good self reported health.</p> <p>Conclusion</p> <p>A lower percentage of German hospital doctors reported self rated health as "good", which is partly explained by the differences in work time pattern. Initiatives to increase doctors' control over their work time are recommended.</p

Investigating the Unbinding of Muscarinic Antagonists from the Muscarinic 3 Receptor

Patient symptom relief is often heavily influenced by the residence time of the inhibitor-target complex. For the human muscarinic receptor 3 (hMR3), tiotropium is a long-acting bronchodilator used in conditions such as asthma or chronic obstructive pulmonary disease (COPD). The mechanistic insights into this inhibitor remain unclear; specifically, the elucidation of the main factors determining the unbinding rates could help develop the next generation of antimuscarinic agents. Using our novel unbinding algorithm, we were able to investigate ligand dissociation from hMR3. The unbinding paths of tiotropium and two of its analogues, N-methylscopolamin and homatropine methylbromide, show a consistent qualitative mechanism and allow us to identify the structural bottleneck of the process. Furthermore, our machine learning-based analysis identified key roles of the ECL2/TM5 junction involved in the transition state. Additionally, our results point to relevant changes at the intracellular end of the TM6 helix leading to the ICL3 kinase domain, highlighting the closest residue L482. This residue is located right between two main protein binding sites involved in signal transduction for hMR3's activation and regulation. We also highlight key pharmacophores of tiotropium that play determining roles in the unbinding kinetics and could aid toward drug design and lead optimization

Investigating the Unbinding of Muscarinic Antagonists from the Muscarinic 3 Receptor

Patient symptom relief is often heavily influenced by the residence time of the inhibitor–target complex. For the human muscarinic receptor 3 (hMR3), tiotropium is a long-acting bronchodilator used in conditions such as asthma or chronic obstructive pulmonary disease (COPD). The mechanistic insights into this inhibitor remain unclear; specifically, the elucidation of the main factors determining the unbinding rates could help develop the next generation of antimuscarinic agents. Using our novel unbinding algorithm, we were able to investigate ligand dissociation from hMR3. The unbinding paths of tiotropium and two of its analogues, N-methylscopolamin and homatropine methylbromide, show a consistent qualitative mechanism and allow us to identify the structural bottleneck of the process. Furthermore, our machine learning-based analysis identified key roles of the ECL2/TM5 junction involved in the transition state. Additionally, our results point to relevant changes at the intracellular end of the TM6 helix leading to the ICL3 kinase domain, highlighting the closest residue L482. This residue is located right between two main protein binding sites involved in signal transduction for hMR3′s activation and regulation. We also highlight key pharmacophores of tiotropium that play determining roles in the unbinding kinetics and could aid toward drug design and lead optimization

Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states

We propose a discrete transition-based reweighting analysis method (dTRAM) for analyzing configuration-space-discretized simulation trajectories produced at different thermodynamic states (temperatures, Hamiltonians, etc.) dTRAM provides maximum-likelihood estimates of stationary quantities (probabilities, free energies, expectation values) at any thermodynamic state. In contrast to the weighted histogram analysis method (WHAM), dTRAM does not require data to be sampled from global equilibrium, and can thus produce superior estimates for enhanced sampling data such as parallel/simulated tempering, replica exchange, umbrella sampling, or metadynamics. In addition, dTRAM provides optimal estimates of Markov state models (MSMs) from the discretized state-space trajectories at all thermodynamic states. Under suitable conditions, these MSMs can be used to calculate kinetic quantities (e.g. rates, timescales). In the limit of a single thermodynamic state, dTRAM estimates a maximum likelihood reversible MSM, while in the limit of uncorrelated sampling data, dTRAM is identical to WHAM. dTRAM is thus a generalization to both estimators

Single-molecule strong coupling at room temperature in plasmonic nanocavities.

Photon emitters placed in an optical cavity experience an environment that changes how they are coupled to the surrounding light field. In the weak-coupling regime, the extraction of light from the emitter is enhanced. But more profound effects emerge when single-emitter strong coupling occurs: mixed states are produced that are part light, part matter1, 2, forming building blocks for quantum information systems and for ultralow-power switches and lasers. Such cavity quantum electrodynamics has until now been the preserve of low temperatures and complicated fabrication methods, compromising its use. Here, by scaling the cavity volume to less than 40 cubic nanometres and using host–guest chemistry to align one to ten protectively isolated methylene-blue molecules, we reach the strong-coupling regime at room temperature and in ambient conditions. Dispersion curves from more than 50 such plasmonic nanocavities display characteristic light–matter mixing, with Rabi frequencies of 300 millielectronvolts for ten methylene-blue molecules, decreasing to 90 millielectronvolts for single molecules—matching quantitative models. Statistical analysis of vibrational spectroscopy time series and dark-field scattering spectra provides evidence of single-molecule strong coupling. This dressing of molecules with light can modify photochemistry, opening up the exploration of complex natural processes such as photosynthesis and the possibility of manipulating chemical bonds.We acknowledge financial support from EPSRC grants EP/G060649/1 and EP/I012060/1, and ERC grant LINASS 320503. RC acknowledges support from the Dr. Manmohan Singh scholarship from St. John’s College. FB acknowledges support from the Winton Programme for the Physics of Sustainability. SJB acknowledges support from the European Commission for a Marie Curie Fellowship (NANOSPHERE, 658360).This is the author accepted manuscript. The final version is available from Nature Publishing Group via http://dx.doi.org/10.1038/nature17974