Rare but important transition events between long lived states are a key feature 1 of many molecular systems. In many cases the computation of rare event statistics by direct 2 molecular dynamics (MD) simulations is infeasible even on the most powerful computers 3 because of the immensely long simulation timescales needed. Recently a technique for 4 spatial discretization of the molecular state...

Marginal structural models (MSMs) are causal models designed to adjust for time-dependent confounding in observational studies of time-varying treatments. MSMs are powerful tools for assessing causality with complicated, longitudinal data sets but have not been widely used by practitioners. The objective of this paper is to illustrate the fitting of an MSM for the causal effect of iron suppleme...

Although the degradation of carbamazepine (CBZ) in aqueous phase was widely studied for a better comprehension its photocatalytic behavior solution, knowledge about photodegradation adsorbed on solid surfaces is yet very limited. In this work, combination two processes (adsorption and photocatalysis) has been applied CBZ TiO2 activated carbon AC/TiO2 phase. The efficiency could reach 100%, 99% ...

The decoction of Pheretima aspergillum is used as a traditional medicine for treatment of asthma in China with a long clinical history. The aim of the study was to investigate the anti-asthma activities of an active components group obtained from the decoction of Pheretima aspergillum in histamine and ovalubumin induced asthma guinea pigs. The incubation period of asthma, serum IFN-γ, IL-4 and ...

• A comprehensive picture of the shape-morphing phenomenon MSMs is highlighted. Materials and advanced 3D printing techniques for are discussed in detail. Programming (re-programming) actuation delivered Applications classified using a length-scale (macro/milli/micro/nanoscale) first time. Specific examples properties extensively used potential direction presented. Magnetoactive soft materials ...

It has recently become practical to construct Markov state models (MSMs) that reproduce the long-time statistical conformational dynamics of biomolecules using data from molecular dynamics simulations. MSMs can predict both stationary and kinetic quantities on long timescales (e.g. milliseconds) using a set of atomistic molecular dynamics simulations that are individually much shorter, thus add...

Apples (Malus domestica) are one of the most widely grown and consumed fruits in world that contain abundant phenolic compounds possess remarkable antioxidant potential. The current study characterised from five different varieties Australian apples (Royal Gala, Pink Lady, Red Delicious, Fuji Smitten) using LC-ESI-QTOF-MS/MS quantified through HPLC-PDA. content potential were determined various...

A new class of Marginal Structural Models (MSMs), History-Restricted MSMs (HRMSMs), was recently introduced for longitudinal data for the purpose of defining causal parameters which may often be better suited for public health research or at least more practicable than MSMs (6, 2). HRMSMs allow investigators to analyze the causal effect of a treatment on an outcome based on a fixed, shorter and...

The decoction of Pheretima aspergillum is used as a traditional medicine for treatment of asthma in China with a long clinical history. The aim of the study was to investigate the anti-asthma activities of an active components group obtained from the decoction of Pheretima aspergillum in histamine and ovalubumin induced asthma guinea pigs. The incubation period of asthma, serum IFN-γ, IL-4 and ...