Cellulosic value-added products from sugarcane bagasse

Cellulose - Sugarcane bagasse (SCB) is a major by-product of the sugarcane industry and one of the most common renewable and sustainable cellulosic materials for various industrial...     

Straightforward access to new vinca-alkaloids via selective reduction of a nitrile containing anhydrovinblastine derivative

A procedure to exclusively obtain 3′S-cyanoanhydrovinblastine 12 from two naturally occurring vinca-alkaloids (catharanthine and vindoline) in one step with good yield is described. Stereoselective reductions of 12, providing straightforward access to three new vinca-alkaloids, including two diastereomers 3′S-cyano-(4′R,5′-dihydro)-anhydrovinblastine and 3′S-cyano-(4′S,5′-dihydro)-anhydrovinblastine as well as (3′S-aminomethyl)-(4′S,5′-dihydro)-anhydrovinblastine in good yields is also reported.     

Electronic structures of dihedral (D5h, D5d, D6h, D6d) fullerenes

By means of our proposed method for Hückel theory calculation, we have calculated the electronic structures of dihedral (D_5h, D_5d, D_6h, D_6d) fullerences, which are generated from icosahedral C₂₀, C₆₀, C₈₀, C₁₈₀, C₂₄₀ and C₅₄₀, respectively. From the calculated results of 1224 fullerence molecules, certain rules on the stability and chemical reactivity have been drawn for such types of dihedral fullerenes.     

在Al-P-Ti-Si-O催化剂上由甲醇和邻苯二酚合成愈创木酚的研究

采用非均匀沉淀法制备了Al1P1.30TiaSib(a=0-0.51,b=0-0.90）复合催化剂,研究了邻苯二酚与甲醇在该催化剂上的气相o-甲基化反应。结果表明,催化剂组成、相结构和表面性质对催化剂的活性和选择性有很大影响。其中Al1P1.30Ti0.30si0.17催化剂的愈创木酚收率最高,在反应温度为553K时,邻苯二酚转化率和愈创木酚收率分别为92%和86%。     

Hedging with temporary price impact

We consider the problem of hedging a European contingent claim in a Bachelier model with temporary price impact as proposed by Almgren and Chriss (J Risk 3:5–39, 2001). Following the approach of Rogers and Singh (Math Financ 20:597–615, 2010) and Naujokat and Westray (Math Financ Econ 4(4):299–335, 2011), the hedging problem can be regarded as a cost optimal tracking problem of the frictionless hedging strategy. We solve this problem explicitly for general predictable target hedging strategies. It turns out that, rather than towards the current target position, the optimal policy trades towards a weighted average of expected future target positions. This generalizes an observation of Gârleanu and Pedersen (Dynamic portfolio choice with frictions. Preprint, 2013b) from their homogenous Markovian optimal investment problem to a general hedging problem. Our findings complement a number of previous studies in the literature on optimal strategies in illiquid markets as, e.g., Gârleanu and Pedersen (Dynamic portfolio choice with frictions. Preprint, 2013b), Naujokat and Westray (Math Financ Econ 4(4):299–335, 2011), Rogers and Singh (Math Financ 20:597–615, 2010), Almgren and Li (Option hedging with smooth market impact. Preprint, 2015), Moreau et al. (Math Financ. doi: 10.1111/mafi.12098, 2015), Kallsen and Muhle-Karbe (High-resilience limits of block-shaped order books. Preprint, 2014), Guasoni and Weber (Mathematical Financ. doi: 10.1111/mafi.12099, 2015a; Nonlinear price impact and portfolio choice. Preprint, 2015b), where the frictionless hedging strategy is confined to diffusions. The consideration of general predictable reference strategies is made possible by the use of a convex analysis approach instead of the more common dynamic programming methods.     

A framework of irregularity enlightenment for data pre-processing in data mining

Irregularities are widespread in large databases and often lead to erroneous conclusions with respect to data mining and statistical analysis. For example, considerable bias is often resulted from many parameter estimation procedures without properly handling significant irregularities. Most data cleaning tools assume one known type of irregularity. This paper proposes a generic Irregularity Enlightenment (IE) framework for dealing with the situation when multiple irregularities are hidden in large volumes of data in general and cross sectional time series in particular. It develops an automatic data mining platform to capture key irregularities and classify them based on their importance in a database. By decomposing time series data into basic components, we propose to optimize a penalized least square loss function to aid the selection of key irregularities in consecutive steps and cluster time series into different groups until an acceptable level of variation reduction is achieved. Finally visualization tools are developed to help analysts interpret and understand the nature of data better and faster before further data modeling and analysis.     

Axial-flexural coupled vibration and buckling of composite beams using sinusoidal shear deformation theory

A finite element model based on sinusoidal shear deformation theory is developed to study vibration and buckling analysis of composite beams with arbitrary lay-ups. This theory satisfies the zero traction boundary conditions on the top and bottom surfaces of beam without using shear correction factors. Besides, it has strong similarity with Euler–Bernoulli beam theory in some aspects such as governing equations, boundary conditions, and stress resultant expressions. By using Hamilton’s principle, governing equations of motion are derived. A displacement-based one-dimensional finite element model is developed to solve the problem. Numerical results for cross-ply and angle-ply composite beams are obtained as special cases and are compared with other solutions available in the literature. A variety of parametric studies are conducted to demonstrate the effect of fiber orientation and modulus ratio on the natural frequencies, critical buckling loads, and load-frequency curves as well as corresponding mode shapes of composite beams.     

Stages of melting of graphene model in two-dimensional space

Spontaneous melting of a perfect crystalline graphene model in 2D space is studied via molecular dynamics simulation. Model containing 10⁴ atoms interacted via long-range bond-order potential (LCBOP) is heated up from 50 to 8,450 K in order to see evolution of various thermodynamic quantities, structural characteristics and occurrence of various structural defects. We find that spontaneous melting of our graphene model in 2D space exhibits a first-order behaviour of the transition from solid 2D graphene sheet into a ring-like structure 2D liquid. Occurrence and clustering of Stone–Wales defects are the first step of melting process followed by breaking of C–C bonds, occurrence/growth of various types of vacancies and multi-membered rings. Unlike that found for melting of a 2D crystal with an isotropic bonding, these defects do not occur homogeneously throughout the system, they have a tendency to aggregate into a region and liquid phase initiates/grows from this region via tearing-like or crack-propagation-like mechanism. Spontaneous melting point of our graphene model occurs at T_m = 7,750 K. The validity of classical nucleation theory and Berezinsky–Kosterlitz–Thouless–Nelson–Halperin–Young (BKTNHY) one for the spontaneous melting of our graphene model in strictly 2D space is discussed.