Activation of formyl CH and hydroxyl OH bonds in HMF by the CuO(1 1 1) and Co₃O₄(1 1 0) surfaces: A DFT study

Ren, Jun,Song, Kai-he,Li, Zhenhuan,Wang, Qiang,Li, Jun,Wang, Yingxiong,Li, Debao,Kim, Chan Kyung Elsevier 2018 APPLIED SURFACE SCIENCE - Vol.456 No.-

<P><B>Abstract</B></P> <P>The first principle calculations with on-site Coulomb repulsion U terms were carried out to investigate the 5-hydroxymethylfurfural (HMF) adsorption on the CuO(1 1 1) and Co<SUB>3</SUB>O<SUB>4</SUB>(1 1 0) surfaces, two widely used oxidation catalysts. The adsorption of HMF molecule is energetically favoured in both cases, and HMF is more inclined to bridge adsorption via hydroxyl and formyl groups binding with surface O and metal sites. Moreover, the adsorption energy relies on both the coordination type of surface lattice oxygen to which the H atom binds and the formation of H-bond involving hydroxyl and formyl groups on the adsorbed HMF. Also, the hydroxyl OH bond breaking is very easy and is likely to be the first step in HMF oxidation, and then the OH insertion reaction to produce 2,5-furandicarboxylic acid (FDCA). The corresponding experimental results also show that the CuO and Co<SUB>3</SUB>O<SUB>4</SUB> surfaces are promising candidate catalysts.</P> <P><B>Highlights</B></P> <P> <UL> <LI> CuO(1 1 1) and Co<SUB>3</SUB>O<SUB>4</SUB>(1 1 0) surfaces catalyze the oxidation of 5-hydroxymethylfurfural (HMF). </LI> <LI> Initial binding was formed through bridged-adsorption with O atoms in HMF. </LI> <LI> Oxidation reaction proceeds through the OH bond breaking pathway. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>Schematic potential energy diagram for the formyl CH and hydroxyl OH bonds of HMF dissociation on CuO(1 1 1) and Co<SUB>3</SUB>O<SUB>4</SUB>(1 1 0) surfaces. Obviously, the hydroxyl OH bond breaking is easier than that of the formyl CH bond on the two surfaces, which indicates the first step of oxidation of HMF to FDCA should be hydroxyl OH bond breaking.</P> <P>[DISPLAY OMISSION]</P>

A Heuristic Algorithm for Alongside Replenishment Scheduling Problem of Ship Fleet with Time Constraint

Yu Peng,He Xue-jun,Ren Ai-di 보안공학연구지원센터 2014 International Journal of Control and Automation Vol.7 No.12

The alongside replenishment scheduling problem with time constraint determining the partition of the ships, the order of replenishment and the allocation of time to the ships at the same time is analyzed. It is equivalent to a multi-stage flow shop scheduling problem with the object of maximizing the effectiveness value of ship fleet. The problem solving process is divided into three steps, and based on the analysis of the three steps, a heuristic algorithm is proposed. The algorithm firstly considers the time allocated to each ship, and then sequences the ships by heuristic rule combining greed with insertion, finally determines the ships partitioning to the port and standard side. Emulating example with different problems’ scale and time constraints shows that the proposed heuristic algorithm is superior to some other algorithms.

Geometric Nonlinear Static Aeroelastic Characteristics Analysis of High-Aspect-Ratio Wing with Large Deformation

Junli Wang,Jinyang Li,Shuai Lei,Zhigui Ren,Yayin He 한국항공우주학회 2022 International Journal of Aeronautical and Space Sc Vol.23 No.2

To explore the geometric nonlinearity of high-aspect-ratio wing due to large deformation, the aerodynamics were solved by Navier–Stokes governing equation based on the loose coupling method of CFD/CSD. Considering the large displacement stiffness matrix of wing structure, the Newton–Raphson method is used to solve the nonlinear elastic deformation of the structure. A geometrically nonlinear static aeroelastic coupling calculation program is developed. During the coupling process, an improved elastic approximation method was used to update the aerodynamic mesh, and the data exchange on the coupling interface was realized by a fixed-volume interpolation method. The reliability of the proposed method was verified by HIRENASD wing model. Finally, the effects of geometric nonlinear static aeroelasticity on longitudinal aerodynamic characteristics and stability of swept wing with high aspect ratio at different angles of attack are studied using this method. The results show that the lift direction of a high-aspect-ratio wing is significantly deformed under the influence of aerodynamic loads. The effective angle of attack of the wing decreases with the whole deformation, and the degree of decrease increases from the root to the tip. The significant flexural and torsional deformation will change the lift coefficient and drag coefficient of the wing and reduce the margin of the static stability of the wing.

Utilization of cane molasses for docosahexaenoic acid production by Schizochytrium sp. CCTCC M209059

He Huang,Lu-Jing Ren,Juan Li,Yuan-Wei Hu,Xiao-Jun Ji 한국화학공학회 2013 Korean Journal of Chemical Engineering Vol.30 No.4

Cane molasses (CM), an agro-industrial by-product, was first examined for docosahexaenoic acid (DHA)production by Schizochytrium sp. Cell dry weight as 21.94 g/L at treated CM cultivation was similar to that at pure glucose (26.7 g/L) cultivation. Batch fermentation at different initial CM concentration showed that DHA percentage could reach 47.51% at 10 g/L CM but only 37.90% at 70 g/L CM. By analyzing the fermentation process, monosodium glutamate might be a positive agent for effective DHA production. Finally, monosodium glutamate and malic acid were introduced to the fed-batch fermentation for effective DHA production.

Mathematical Simulation of Spray Forming Process

( Jun Fei Fan ),( Yin Zhang ),( San Bing Ren ),( You Duo He ),( Hai Rong Le ) 한국액체미립화학회 2005 한국액체미립화학회 학술강연회 논문집 Vol.2005 No.-

In this paper, an integrated approach for modeling the entire spray forming process is presented and the program for the simulation is written by hand. The whole spray forming process can be divided into four calculate process and the basis for the analysis is classical k-ε turbulence model which used to simulate the flow field of gas formed in the chamber. The other three mathematical models are atomization model,deposition model and solidification model. In the atomization model coupled the flow field of gas and formation、velocity and location of droplet. By means of integrate above mathematical model the process of spraying forming was simulated in detail.

Statistics-based Optimization of Extracellular Polysaccharide Production from Hirsutella sinensis using a Fermentation Process and In vitro Immunomodulatory Activity

Liang He,Jun-Wen Cheng,Yan-Bin Wang,Hai-Bo Li,Hua Qian,Wei-Qi Li,Xue-Yong Ren 한국식품과학회 2014 Food Science and Biotechnology Vol.23 No.2

A 3 factor, 3 level Box-Behnken factorialdesign combined with response surface methodology wasused to optimize the fermentation process for production ofextracellular polysaccharide (EPS) from Hirsutella sinensis. The 3 independent variables were temperature (X1), initialpH (X2), and the glucose concentration (X3). Experimentaldata were fitted to a 2nd order polynomial equation usingmultiple regression. The optimal fermentation conditionsof the production of EPS were a temperature of 18.21oC,an initial pH of 5.81, and a glucose concentration of 7.39g/L. The maximum predicted EPS production of 2.41 g/Lwas close to the actual experimental EPS yield (2.42±0.038%), demonstrating the model validity. EPS from H. sinensis had a direct in vitro immuno-stimulating activityusing murine macrophage RAW264.7 cells, and stimulatedrelease of several major cytokines (IL-1β, NF-κB, TNF-α,and iNOS) in a dose-dependent manner.

Intra-operative Rectal Washout with Saline Solution Can Effectively Prevent Anastomotic Recurrence: a Meta-analysis

Zhou, Can,Ren, Yu,Wang, Ke,Liu, Jie,He, Jian-Jun,Liu, Pei-Jun Asian Pacific Journal of Cancer Prevention 2013 Asian Pacific journal of cancer prevention Vol.14 No.12

Background and Objective: Rectal washout with saline solution may theoretically prevent anastomotic recurrence in patients with resectable rectal cancer, although exact clinical effects have not yet been determined. In order to derive a more precise estimation of the relationship, the present meta-analysis was performed. Method: Relevant studies were identified by a search of Medline, Embase and Google Website with no restrictions to September 1, 2013, and included in the systematic review and meta-analysis. Results: 5 trials (642 participants) were included to assess the association between rectal washout with saline solution and anastomotic recurrence. The rate of anastomotic recurrence (AR) was 6.23% (40/642), with the pooled OR derived from the five studies being 0.32 (95 % CI=0.15-0.70, P=0.004). The pooled OR derived from the TME and radical resection subgroups were 0.72 (95%CI=0.16-3.12, P=0.66) and 0.51 (95%CI=0.13-1.96, P=0.32), respectively. Conclusion: Results from this analysis show that intra-operative rectal washout with mere saline solution largely reduces the risk of anastomotic recurrences in patients with resectable rectal cancer.

Molecular detection and genetic diversity of bovine papillomavirus in dairy cows in Xinjiang, China

Qingling Meng,Chengcheng Ning,Lixia Wang,Yan Ren,Jie Li,Chencheng Xiao,Yanfang Li,Zhiyuan Li,Zhihao He,Xuepeng Cai,Jun Qiao 대한수의학회 2021 Journal of Veterinary Science Vol.22 No.4

Background: Bovine papillomatosis is a type of proliferative tumor disease of skin and mucosae caused by bovine papillomavirus (BPV). As a transboundary and emerging disease in cattle, it poses a potential threat to the dairy industry. Objectives: The aim of this study is to detect and clarify the genetic diversity of BPV circulating in dairy cows in Xinjiang, China. Methods: 122 papilloma skin lesions from 8 intensive dairy farms located in different regions of Xinjiang, China were detected by polymerase chain reaction. The genetic evolution relationships of various types of BPVs were analyzed by examining this phylogenetic tree. Results: Ten genotypes of BPV (BPV1, BPV2, BPV3, BPV6, BPV7, BPV8, BPV10, BPV11, BPV13, and BPV14) were detected and identified in dairy cows. These were the first reported detections of BPV13 and BPV14 in Xinjiang, Mixed infections were detected, and there were geographical differences in the distribution of the BPV genotypes. Notably, the BPV infection rate among young cattle (< 1-year-old) developed from the same supply of frozen sperm was higher than that of the other young cows naturally raised under the same environmental conditions. Conclusions: Genotyping based on the L1 gene of BPV showed that BPVs circulating in Xinjiang China displayed substantial genetic diversity. This study provided valuable data at the molecular epidemiology level, which is conducive to developing deep insights into the genetic diversity and pathogenic characteristics of BPVs in dairy cows.

Experimental study of TiO2 hollow microspheres removal on elemental mercury in simulated flue gas

Jiang Wu,Xian Li,Jian-Xing Ren,Xuemei Qi,Ping He,Bu Ni,Chong Zhang,Chengzhen Hu,Jun Zhou 한국공업화학회 2015 Journal of Industrial and Engineering Chemistry Vol.32 No.-

TiO2 hollow sphere was synthesized by hydrothermal method using trifluoroacetic acid (TFA) andTi(SO4)2 as raw materials, and it was applied to photocatalytic oxidization of elemental mercury (Hg0) inthe simulated flue gas. The prepared samples were well characterized by X-ray diffraction (XRD),scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectronspectroscopy (XPS), UV–vis diffuse reflectance spectra (UV-vis DRS) and nitrogen adsorption/desorption. The results showed that only anatase phase TiO2 hollow sphere was obtained. The average diameter ofTiO2 hollow spheres was about 800 nm and the shell thickness was about 200–400 nm. When M, themolar ratio of TFA to Ti(SO4)2, was higher than a certain value, the photocatalytic activity of preparedTiO2 hollow spheres began to reduce. When M = 2, addition TFA content was the best quantity, which gotthe best TiO2 hollow spheres and provided the most appropriate F decomposed from TFA during thesample preparation, which was helpful to its photocatalytic ability. In the experimental temperaturerange, the photocatalytic oxidation efficiency decreased with the increasing of reaction temperature, andthe intensity of UV irradiation had an important effect on the photocatalytic reaction. When UVirradiation intensity was 303.45 mW cm 2 and reaction temperature was 55 8C, TiO2 hollow spheresample prepared at M = 2 had the highest photocatalytic ability and the mercury removal efficiencyreached up to 82.75%.

Tenascin-C Produced by Oxidized LDL-Stimulated Macrophages Increases Foam Cell Formation through Toll-like Receptor-4

Rui Liu,Lihua Zhang,Yong He,Bo Li,Jun Liu,Yingang Ren,Wei Han,Xing Wang 한국분자세포생물학회 2012 Molecules and cells Vol.34 No.1

Atherosclerosis is a chronic inflammatory disease in which both innate and adaptive immunity are involved. Although there have been major advances in the involve-ment of toll-like receptor 4 (TLR4) and CD36 in the initiation and development of this disease, detailed mechanisms remain unknown. Here, we show that tenascin-C (TN-C) can stimulate foam cell formation and this can be inhibited by a TLR4-blocking antibody or CD36 gene silencing. Our results identify TN-C-TLR4 activation as a common molecular mechanism in oxLDL-stimulated foam cell formation and atherosclerosis. In addition, CD36 is the major scavenger receptor responsible for the TN-C-mediated foam cell formation. Taken together, we have identified that TN-C produced by oxLDL-stimulated macrophages increases foam cell formation through TLR4 and scavenger receptor CD36.