Probing the folding of mini-protein Beta3s by two-dimensional infrared spectroscopy; simulation study

We propose to use infrared coherent two-dimensional correlation spectroscopy (2DCS) to characterize the folding mechanism of the mini-protein Beta3s. In this study Beta3s was folded by molecular dynamics (MD) simulation and intermediate conformational ensembles were identified. The one and two-dimensional correlation spectrum was calculated for the intermediate and native states of the mini-protein. A direct structure-spectra relationship was determined by analysis of conformational properties and specific residue contributions. We identified the structural origin of diagonal and off-diagonal peaks in the 2DCS spectra for the native and intermediate conformational ensembles in the folding mechanism. This work supports the implementation of computational techniques in conjunction with experimental 2DCS to study the folding mechanism of proteins. In addition to exploring the folding mechanism the work presented here can be applied in combination with experiment to refine and validate current molecular dynamics force fields

Resonance states of open quantum dots

We have computed the spectra of resonance states for several open quantum dot systems. These states are identified using the electron dwell time. The statistics of the spectra are exactly the same as that of the corresponding closed system, even when the level widths are comparable with the average spacing. In particular, for a regular structure, e.g., an open rectangular quantum dot, the resonance state level spacing satisfies the Poisson distribution. For an irregular structure, e.g., an open Sinai billiard, we found that the spacings satisfy the GOE or GUE statistics depending on whether an external magnetic field is applied. Thus in this regime of ballistic transport, the statistics of resonance transmission contains characteristics of the corresponding intrinsic quantum level distribution. © 1996 The American Physical Society.published_or_final_versio

Study of thermal bubble motion in microchannel

This paper was presented at the 2nd Micro and Nano Flows Conference (MNF2009), which was held at Brunel University, West London, UK. The conference was organised by Brunel University and supported by the Institution of Mechanical Engineers, IPEM, the Italian Union of Thermofluid dynamics, the Process Intensification Network, HEXAG - the Heat Exchange Action Group and the Institute of Mathematics and its Applications.The micro capillary pumped loop system (MCPL) is a highly efficient device for heat transfer because the main driving force is a result of thermo-bubbles in micro-channel. In this study, the scaling effect with respect to the dimensional geometry of MCPL was studied for improving the heat transfer performance. The results showed that when a larger heating power was provided by microheater, the growing rate of thermal bubble was faster. Generally speaking, injecting a larger amount of working fluids resulted in faster thermo bubble motion. When the size of channel was scaled down, the nucleation of thermal bubble occurred easily and a positive performance of heat transfer was expected. These findings will be useful to the further optimal design of MCPL.This study is funded by the National Science Council of the Republic of China, Taiwan, under Contract No. NSC- 98-2221-E-197 –018

Three-dimensional distribution of nonmenthane hydrocarbons and halocarbons over the northwestern Pacific during the 1991 Pacific Exploratory Mission (PEM-West A)

A total of 1667 whole air samples were collected onboard the NASA DC-8 aircraft during the 6-week Pacific Exploratory Mission over the western Pacific (PEM-West A) in September and October 1991. The samples were assayed for 15 C2-C7 hydrocarbons and six halocarbons. Latitudinal (0.5°S to 59.5°N) and longitudinal (114°E to 122°W) profiles were obtained from samples collected between ground level and 12.7 km. Thirteen of the 18 missions exhibited at least one vertical profile where the hydrocarbon mixing ratios increased with altitude. Longitude-latitude color patch plots at three altitude levels and three-dimensional color latitudealtitude and longitude-altitude contour plots exhibit a significant number of middle-upper tropospheric pollution events. These and several lower tropospheric pollution plumes were characterized by comparison with urban data from Tokyo and Hong Kong, as well as with natural gas and the products from incomplete combustion. Elevated levels of nonmethane hydrocarbons (NMHC) and other trace gases in the upper-middle free troposphere were attributed to deep convection over the Asian continent and to typhoon-driven convection near the western Pacific coast of Asia. In addition, NMHCs and CH3CCI3 were found to be useful tracers with which to distinguish hydrocarbon and halocarbon augmented plumes emitted from coastal Asian cities into the northwestern Pacific

Magnetocapacitance of a three-probe mesoscopic capacitor

We report a numerical calculation of the magnetocapacitance for a three-probe capacitor and investigate the asymmetry property of the electrochemical capacitance under a magnetic-field reversal. At low magnetic fields the quantum magnetocapacitance shows a large asymmetry under a field reversal. At higher fields the capacitance is dominated by Aharonov-Bohm type oscillations and the fluctuations of the asymmetry is reduced.published_or_final_versio

Self-organised droplet flow patterns in microchannels

This paper was presented at the 2nd Micro and Nano Flows Conference (MNF2009), which was held at Brunel University, West London, UK. The conference was organised by Brunel University and supported by the Institution of Mechanical Engineers, IPEM, the Italian Union of Thermofluid dynamics, the Process Intensification Network, HEXAG - the Heat Exchange Action Group and the Institute of Mathematics and its Applications.In this work, we have investigated the generation and behaviour of self-organised droplet flow patterns in microchannels. The water droplets, which are generated at a T-junction where the carrier is oil, move into an expanded channel and are self reorganised into various flow patterns: single-profile, double-helix-profile, triple-helix-profile, and more. We find that increasing water/oil flow rate ratio and Capillary number lead to more densely packed droplet flow patterns. The channel geometry also plays an essential role where the 300-μm-deep expansion channel can form multiple layers of droplets while only single layer of droplets can be observed in the 200-μm-deep expansion channel

Learning an Intrinsic Garment Space for Interactive Authoring of Garment Animation

Authoring dynamic garment shapes for character animation on body motion is one of the fundamental steps in the CG industry. Established workflows are either time and labor consuming (i.e., manual editing on dense frames with controllers), or lack keyframe-level control (i.e., physically-based simulation). Not surprisingly, garment authoring remains a bottleneck in many production pipelines. Instead, we present a deep-learning-based approach for semi-automatic authoring of garment animation, wherein the user provides the desired garment shape in a selection of keyframes, while our system infers a latent representation for its motion-independent intrinsic parameters (e.g., gravity, cloth materials, etc.). Given new character motions, the latent representation allows to automatically generate a plausible garment animation at interactive rates. Having factored out character motion, the learned intrinsic garment space enables smooth transition between keyframes on a new motion sequence. Technically, we learn an intrinsic garment space with an motion-driven autoencoder network, where the encoder maps the garment shapes to the intrinsic space under the condition of body motions, while the decoder acts as a differentiable simulator to generate garment shapes according to changes in character body motion and intrinsic parameters. We evaluate our approach qualitatively and quantitatively on common garment types. Experiments demonstrate our system can significantly improve current garment authoring workflows via an interactive user interface. Compared with the standard CG pipeline, our system significantly reduces the ratio of required keyframes from 20% to 1 -- 2%

Adenosine-mono-phosphate-activated protein kinase-independent effects of metformin in T cells

The anti-diabetic drug metformin regulates T-cell responses to immune activation and is proposed to function by regulating the energy-stress-sensing adenosine-monophosphate-activated protein kinase (AMPK). However, the molecular details of how metformin controls T cell immune responses have not been studied nor is there any direct evidence that metformin acts on T cells via AMPK. Here, we report that metformin regulates cell growth and proliferation of antigen-activated T cells by modulating the metabolic reprogramming that is required for effector T cell differentiation. Metformin thus inhibits the mammalian target of rapamycin complex I signalling pathway and prevents the expression of the transcription factors c-Myc and hypoxia-inducible factor 1 alpha. However, the inhibitory effects of metformin on T cells did not depend on the expression of AMPK in T cells. Accordingly, experiments with metformin inform about the importance of metabolic reprogramming for T cell immune responses but do not inform about the importance of AMPK