Light-induced rearrangement from macrocyclic to bicyclic lactam: A case study of N-chlorinated laurolactam by Zubčić Gabrijel, Pavić Kristina, You Jiangyang, Vrček Valerije, Portada Tomislav, Bešić Erim, Šakić Davor

“…This study explores the Hofmann-Löffler-Freytag (HLF) reaction mechanism and products as a potential late-stage functionalisation strategy for facile conversion of macrocyclic to bicyclic ring. …”
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Modeling flame acceleration in H2 turbulent combustion: Strategies to reduce computational cost by A. Dahmani, R.A. Otón-Martínez, F. Nicolás-Pérez, F.J.S. Velasco, O. de Francisco

“…The present study summarizes the investigations conducted to identify and assess reliable modeling strategies for reducing computational cost for the simulations of hydrogen turbulent combustion in nuclear accident scenarios which consider the flame acceleration, with a primary focus on the use of LES coupled with Artificially Thickened Flame Model (TFM) using a detailed chemical reaction mechanism. For this purpose, the LES-TFM model was benchmarked against experimental data of flame acceleration in a tube for lean mixtures. …”
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Experimental Study on Mechanical Properties of Fly Ash Stabilized with Cement by Shengquan Zhou, Yongfei Zhang, Dawei Zhou, Weijian Wang, Dongwei Li, Zhaibang Ke

“…In order to figure out the effect of dynamic and static load on the mechanical properties exhibited by the cement-fly ash and the reaction mechanism of cement-fly ash, a combination of the unconfined compressive test, impact test, scanning electron microscopy (SEM), and X-ray diffraction (XRD) method was adopted in this study to investigate the cement-fly ash test samples. …”
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Bifunctional Tailoring of Platinum Surfaces with Earth Abundant Iron Oxide Nanowires for Boosted Formic Acid Electro-Oxidation by Bilquis Ali Al-Qodami, Heba H. Farrag, Sayed Youssef Sayed, Nageh K. Allam, Bahgat E. El-Anadouli, Ahmad M. Mohammad

“…The electrochemical impedance spectra could correlate the charge transfer resistances for FAO over the inspected set of catalysts to explore the role of FeOx in mediating the reaction mechanism.…”
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Solar Hydrogen Production Coupled with the Degradation of a Dye Pollutant Using TiO2 Modified with Platinum and Nafion by Jungwon Kim, Yiseul Park, Hyunwoong Park

“…With Pt/TiO2/Nf employed at [RhB]=20 μM (0.6 μmol), approximately 70 μmol of H2 was produced and RhB and its intermediates were completely removed over a 12 h period. A detailed reaction mechanism was discussed.…”
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Electrochemical Behavior of Quinoxalin-2-one Derivatives at Mercury Electrodes and Its Analytical Use by Milan Zimpl, Jana Skopalova, David Jirovsky, Petr Bartak, Tomas Navratil, Jana Sedonikova, Milan Kotoucek

“…A positive mesomeric effect of the nonprotonized amino group in the position 7 of the derivative III accelerates the semiquinone reduction yielding a single current wave. The suggested reaction mechanism was verified by means of direct current polarography, differential pulse, cyclic and elimination voltammetry, and coulometry with subsequent GC/MS analysis. …”
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Highly-efficient flame-retarding unsaturated polyester resin via the designation of an expansive flame retardant by Ying-Ming Li, Shuang-Lin Hu, Hang-Ping Fang, Yao Deng, Chang-De Yang

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Sustainable application of waste gangue mortar in coal mine tunnel support by Yang Liu, Luming Zhu, Xijun Liang, Jintao He, Guiwen Suo, Haoran Wu, Bin Li, Zimu Wang

“…The study examined how apparent density, compressive strength, flexural strength, and fiber reinforcement affect performance, while investigating the hydration reaction mechanism. The results show that compared with ordinary mortar, the apparent density and compressive strength of coal gangue-basalt fiber cementitious mortar are reduced, but its flexural strength is improved. …”
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The Hydrolysis of Carbonyl Sulfide at Low Temperature: A Review by Shunzheng Zhao, Honghong Yi, Xiaolong Tang, Shanxue Jiang, Fengyu Gao, Bowen Zhang, Yanran Zuo, Zhixiang Wang

“…Catalytic hydrolysis technology of carbonyl sulfide (COS) at low temperature was reviewed, including the development of catalysts, reaction kinetics, and reaction mechanism of COS hydrolysis. It was indicated that the catalysts are mainly involved metal oxide and activated carbon. …”
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Effects of nitrogen vacancy sites of oxynitride support on the catalytic activity for ammonia decomposition by Kazuki Miyashita, Kiya Ogasawara, Masayoshi Miyazaki, Hitoshi Abe, Yasuhiro Niwa, Hideki Kato, Hideo Hosono, Masaaki Kitano

“…Thus, the ammonia decomposition reaction is facilitated by a vacancy-mediated reaction mechanism.…”
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Detailed Photoisomerization Dynamics of a Green Fluorescent Protein Chromophore Based Molecular Switch by Chen-Wei Jiang, Ai-Ping Fang, Di Zhao, Hong-Rong Li, Rui-Hua Xie, Fu-Li Li

“…For both photoisomerization processes, rotation around the central C2=C3 bond is the dominant reaction mechanism. Deexcitation occurs at an avoided crossing near the S1/S0 conical intersection, which is near the midpoint of the rotation.…”
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Influence of the Activator Concentration and Solid/Liquid Ratio on the Strength and Shrinkage Characteristics of Alkali-Activated Slag Geopolymer Pastes by Zikai Xu, Jinchao Yue, Guanhong Pang, Ruixia Li, Peng Zhang, Shengtang Xu

“…For a better understanding of the reaction mechanism and microstructure of the geopolymer pastes, a multitechnique approach including scanning electron microscopy, X-ray diffraction, and Fourier transform infrared spectra was carried out. …”
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Porous Multiphase Microcharacteristics Research of New Cement-Based Grouting Material Concretion by Wei Xie, Junwu Xia, Linli Yu, Hongfei Chang

“…Four types of water-cement ratio (W/C ratio) NCG concretions were systematically researched on the solid-phase composition, microscopic morphology, nanoscale pore characteristics and micron-scale multiphase microscopic characteristics through SEM, TGA-DSC, BET, MIP, and 3D-XRM in combination with hydration reaction mechanism. The NCG concretion is characterized as a spatial network structure formed by dendritic or columnar ettringite (AFt) crystals, filled with calcium silicate hydrate gel (C–S–H) and aluminum gel (AH3). …”
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An artificial intelligence optimization of NOx conversion efficiency under dual catalytic mechanism reaction based on multi-objective gray wolf algorithm by Zhiqing Zhang, Zicheng He, Yuguo Wang, Feng Jiang, Weihuang Zhong, Bin Zhang, Yanshuai Ye, Zibin Yin, Dongli Tan

“…This model was trained based on the Langmuir-Hinshelwood and Eley-Rideal coupled mechanism for SCR reaction mechanism, and had good fitting effect on the heat transfer rate, catalytic efficiency and ammonia (NH3) slip rate of the catalytic reaction under loading conditions. …”
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Removal of lead from crude antimony by using NaPo3 as lead elimination reagent by Ye L.G., Tang C.B., Yang S.H., Chen Y.M., Zhang W.H.

“…In order to solve the shortcomings when removing lead from crude antimony in the traditional antimony smelting, a new process was provided using NaPO3 as lead elimination reagent to yield phosphate slag, and it was removed by floating on the surface of the liquid antimony. Reaction mechanism was clarified by using the TG-DTA and XRD techniques and single factor experiments of removal lead from crude antimony were engaged. …”
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Radical decomposition of hydrogen peroxide catalyzed by iodide for degradation of organic dyes by Naiara Miotto Menino, Paloma Truccolo Reato, Carolina Elisa Demaman Oro, Luciana Dornelles Venquiaruto, Rogério Marcos Dallago, Marcelo Luis Mignoni

“…The removal results proved that the anionic or cationic nature of the dye interferes with the reaction mechanism. For methylene blue, a cationic dye, a small portion of TOC was removed by oxidation (7.9 to 20.6%) and the remainder occurred by adsorption (79.4 and 92.1%). …”
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Study of Chemical Intermediates by Means of ATR-IR Spectroscopy and Hybrid Hard- and Soft-Modelling Multivariate Curve Resolution-Alternating Least Squares by Junxiu Ma, Juan Qi, Xinyu Gao, Chunhua Yan, Tianlong Zhang, Hongsheng Tang, Hua Li

“…3,5-Diamino-1,2,4-triazole (DAT) became a significant energetic materials intermediate, and the study of its reaction mechanism has fundamental significance in chemistry. …”
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Dynamic Prediction Research of Silicon Content in Hot Metal Driven by Big Data in Blast Furnace Smelting Process under Hadoop Cloud Platform by Yang Han, Jie Li, Xiao-Lei Yang, Wei-Xing Liu, Yu-Zhu Zhang

“…Finally, the historical production big data of No. 1 blast furnace in Tangshan Iron Works II was analyzed during 2015.12.01~2016.11.30 using the reaction mechanism, control mechanism, and gray correlation model in the process of blast furnace iron-making, an essential sample set with input x1k,x2k−3,x3k−3,…,x18k,x19k−1 and output Sik+1 is constructed, and the dynamic prediction model of the content of [Si] in molten iron and the dynamic prediction model of [Si] fluctuation in the molten iron are obtained on the Hadoop platform by means of the structure and parallelized SVM solving algorithm. …”
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Interaction of Fullerenes with Organosilanes in the Ionization Chamber of a Mass Spectrometer under Electron Impact and the Reaction of C60 with Tetraphenylsilane in Solution under... by Yury I. Lyakhovetsky, Elena A. Shilova, Alexandra P. Pleshkova, Alexander I. Belokon, Sergey O. Yakushin, Boris L. Tumanskii

“…C70 reacted with Me4Si analogously. A reaction mechanism involving homolytic dissociation of the silanes under electron impact to the corresponding organic radicals, which react further with C60 at the surface of the ionization chamber of the mass spectrometer to give the respective adducts, was offered. …”
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Novel architecture of ternary ZnO/PMA/AgI heterojunctions towards boosted visible-light photocatalytic destruction of antibiotics by Yossor R. Abdulmajeed, Saad H. Ammar, Nada D. Ali, Fatma D. Ali, A. Al-Farraji, Marwa A. Lafta

“…Accordingly, the reaction mechanism of LEV degradation over ZnO/PMA/AgI heterojunction has been elucidated and supported by active-species capturing studies, which confirm that •O2−, and in less degree h+ were the main reactive species in the reaction. …”
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