Solvent Influence on Cellulose 1,4‐β‐Glycosidic Bond Cleavage: A Molecular Dynamics and Metadynamics Study

We explore the influence of two solvents, namely water and the ionic liquid 1‐ethyl‐3‐methylimidazolium acetate (EmimAc), on the conformations of two cellulose models (cellobiose and a chain of 40 glucose units) and the solvent impact on glycosidic bond cleavage by acid hydrolysis by using molecular dynamics and metadynamics simulations. We investigate the rotation around the glycosidic bond and ring puckering, as well as the anomeric effect and hydrogen bonds, in order to gauge the effect on the hydrolysis mechanism. We find that EmimAc eases hydrolysis through stronger solvent–cellulose interactions, which break structural and electronic barriers to hydrolysis. Our results indicate that hydrolysis in cellulose chains should start from the ends and not in the centre of the chain, which is less accessible to solvent.     

基于串联两阶段网络DEA模型的供应链规模收益分析

数据包络分析(DEA)是评价供应链系统(Supply chain system)间相对有效性的一种重要的工具,但是传统的DEA不考虑供应链的内部结构,对系统效率评价偏高;而本文所研究两阶段串联供应链系统,考虑把部分中间产品作为最终产品输出,增加额外中间投入的情形.基于所提出的供应链系统结构,本文建立相应的串联结构下的网络DEA模型,并针对所建立模型进行相关理论的研究,给出了串联结构下的生产可能集和规模收益情况判定方法.最后,进行数值实验,以验证我们提出的结论.     

ω-meson photoproduction on nucleons in the near-threshold region

The European Physical Journal A - The ω-meson photoproduction, γ + p→p + ω, is studied in the framework of a model, containing π-meson exchange in t-channel and...     

Design of an experimental procedure for energy evaluation from biomass

The rational and sustainable exploitation of nature resources is one of the priority objectives of our society. In this article a method is proposed to evaluate and exploit the energetic resources contained in different forest formations. This method is based on the use of a combustion bomb calorimeter to determine the calorific values of the different samples studied. These results were complemented with chemical analysis of the samples and with environmental and geomorphological studies of the zones were samples were taken. The results obtained during the last 3 years for the residual biomass originated from the forest formations existing in Galicia ensure the reliability and usefulness of the method that can be extended to any forest formation all over the world.     

Control Policy for a Manufacturing System with Random Yield and Rework

We develop a production policy that controls work-in-process (WIP) levels and satisfies demand in a multistage manufacturing system with significant uncertainty in yield, rework, and demand. The problem addressed in this paper is more general than those in the literature in three aspects: (i) multiple products are processed at multiple workstations, and the capacity of each workstation is limited and shared by multiple operations; (ii) the behavior of a production policy is investigated over an infinite-time horizon, and thus the system stability can be evaluated; (iii) the representation of yield and rework uncertainty is generalized. Generalizing both the system structure and the nature of uncertainty requires a new mathematical development in the theory of infinite-horizon stochastic dynamic programming. The theoretical contributions of this paper are the existence proofs of the optimal stationary control for a stochastic dynamic programming problem and the finite covariances of WIP and production levels under the general expression of uncertainty. We develop a simple and explicit sufficient condition that guarantees the existence of both the optimal stationary control and the system stability. We describe how a production policy can be constructed for the manufacturing system based on the propositions derived.     

A MICROFOUNDATION OF PREDATOR‐PREY DYNAMICS

ABSTRACT. Predator‐prey relationships account for an important part of all interactions betweenspecies. In this paper we provide a microfoundation for such predator‐prey relations in afood chain. Basic entities of our analysis are representative organisms of species modeled similar to economic households. With prices as indicators of scarcity, organisms are assumed to behave as if they maximize their net biomass subject to constraints which express the organisms' risk of being preyed upon during predation. Like consumers, organisms face a ‘budget constraint’ requiring their expenditure on prey biomass not to exceed their revenue from supplying own biomass. Short‐run ecosystem equilibria are defined and derived. The net biomass acquired by the representative organism in the short term determines the positive or negative population growth. Moving short‐run equilibria constitute the dynamics of the predator‐prey relations that are characterized in numerical analysis. The population dynamics derived here turn out to differ significantly from those assumed in the standard Lotka‐Volterra model.     

On the Second Law of Thermodynamics and the Piston Problem

The piston problem is investigated in the case where the length of the cylinder is infinite (on both sides) and the ratio m/M is a very small parameter, where m is the mass of one particle of the gaz and M is the mass of the piston. Introducing initial conditions such that the stochastic motion of the piston remains in the average at the origin (no drift), it is shown that the time evolution of the fluids, analytically derived from Liouville equation in a previous work, agrees with the Second Law of thermodynamics. We thus have a non equilibrium microscopical model whose evolution can be explicitly shown to obey the two laws of thermodynamics.     

Problems, Models and Complexity. Part II: Application to the DLSP

In Part I of this study, we suggest to identify an operations research (OR) problem with the equivalence class of models describing the problem and enhance the standard computer-science theory of computational complexity to be applicable to this situation of an often model-based OR context. The Discrete Lot-sizing and Scheduling Problem (DLSP) is analysed here in detail to demonstrate the difficulties which can arise if these aspects are neglected and to illustrate the new theoretical concept. In addition, a new minimal model is introduced for the DLSP which makes this problem eventually amenable to a rigorous analysis of its computational complexity.     

Inferring mixed-culture growth from total biomass data in a wavelet approach

It is shown that the presence of mixed-culture growth in batch fermentation processes can be very accurately inferred from total biomass data by means of the wavelet analysis for singularity detection. This is accomplished by considering simple phenomenological models for the mixed growth and the more complicated case of mixed growth on a mixture of substrates. The main quantity provided by the wavelet analysis is the Hölder exponent of the singularity that we determine for our illustrative examples. The numerical results point to the possibility that Hölder exponents can be used to characterize the nature of the mixed-culture growth in batch fermentation processes with potential industrial applications. Moreover, the analysis of the same data affected by the common additive Gaussian noise still lead to the wavelet detection of the singularities although the Hölder exponent is no longer a useful parameter.     

Hadron production near threshold

Final state interaction effects inpp→ pΛK ⁺ andpd →³Heη reactions are explored near threshold to study the sensitivity of the cross-sections to thepΛ potential and theηN scattering matrix. The final state scattering wave functions between Λ andp andη and³He are described rigorously. The Λ production is described by the exchange of one pion and aK-meson between two protons in the incident channel. Theη production is described by a two-step model, where in the first step a pion is produced. This pion then produces anη by interacting with another nucleon