Partial Oxidation of Bio-methane over Nickel Supported on MgO-ZrO2 Solid Solutions [0.03%]
负载于镁锆固溶体上的镍催化生物甲烷部分氧化制备合成气
Yvan J O Asencios,Nevzat Yigit,Thomas Wicht et al.
Yvan J O Asencios et al.
Syngas can be produced from biomethane via Partial Oxidation of Methane (POM), being an attractive route since it is ecofriendly and sustainable. In this work, catalysts of Ni supported on MgO-ZrO2 solid solutions, prepared by a one-step po...
Kinetic and Computational Studies of CO Oxidation and PROX on Cu/CeO2 Nanospheres [0.03%]
铜/氧化铈纳米球上CO氧化及PROX的动力学和计算研究
Parinya Tangpakonsab,Alexander Genest,Jingxia Yang et al.
Parinya Tangpakonsab et al.
As supported CuO is well-known for low temperature activity, CuO/CeO2 nanosphere catalysts were synthesized and tested for CO oxidation and preferential oxidation of CO (PROX) in excess H2. For the first reaction, ignition was observed at 9...
Mechanistic Study of Tungsten Bipyridyl Tetracarbonyl Electrocatalysts for CO2 Fixation: Exploring the Roles of Explicit Proton Sources and Substituent Effects [0.03%]
电催化固定二氧化碳的钨双吡啶四羰基电催化剂的作用机理研究：显式质子源和取代基效应的影响
Xiaohui Li,Julien A Panetier
Xiaohui Li
Tungsten bipyridyl tetracarbonyl complexes were shown to reduce CO2 to CO in acetonitrile [Chem. Sci., 2014, 5, 1894-1900]. Here, we employ density functional theory (DFT) calculations to investigate the electronic structure and reactivity ...
Analysis of the Scale of Global Human Needs and Opportunities for Sustainable Catalytic Technologies [0.03%]
全球人类需求规模分析及可持续催化技术机遇探讨
Teona Taseska,Wanqing Yu,Madeleine K Wilsey et al.
Teona Taseska et al.
We analyzed the enormous scale of global human needs, their carbon footprint, and how they are connected to energy availability. We established that most challenges related to resource security and sustainability can be solved by providing ...
Nanomaterial Constructs for Catalytic Applications in Biomedicine: Nanobiocatalysts and Nanozymes [0.03%]
用于生物医学催化应用的纳米材料结构：纳米生物催化剂和纳米酶
Angel M Villalba-Rodríguez,Lidia Yaritza Martínez-Zamudio,Saúl Antonio Hernández Martínez et al.
Angel M Villalba-Rodríguez et al.
Nanomaterials possess superior advantages due to their special geometries, higher surface area, and unique mechanical, optical, and physicochemical properties. Their characteristics make them great contributors to the development of many te...
Dominic Augustine,S V Sowmya,Neethi Gujjar et al.
Dominic Augustine et al.
Oral cancer is a result of diverse interactions in the tumor microenvironment (TME), genetic alterations along with associated risk factors such as lifestyle and microbial infections. Various modalities are employed in the diagnosis and the...
Role of Polarons in Single-Atom Catalysts: Case Study of Me1 [Au1, Pt1, and Rh1] on TiO2(110) [0.03%]
单原子催化剂中极化子的作用：TiO2(110)上Me1[Au1，Pt1和Rh1]的案例研究
Panukorn Sombut,Lena Puntscher,Marlene Atzmueller et al.
Panukorn Sombut et al.
The local environment of metal-oxide supported single-atom catalysts plays a decisive role in the surface reactivity and related catalytic properties. The study of such systems is complicated by the presence of point defects on the surface,...
Modeling Catalysis in Allosteric Enzymes: Capturing Conformational Consequences [0.03%]
allosteric酶催化模型的建立及构象变化的捕捉
Heidi Klem,Martin McCullagh,Robert S Paton
Heidi Klem
Greater understanding of enzymatic mechanisms aids the discovery of new targets for biologics, the development of biocatalytic transformations, and de novo enzyme design. Methods using quantum mechanical (QM) potentials, such as Density Fun...
Jorge Noé Díaz de León Hernández,José Guadalupe Pacheco Sosa,Carolina Solis Maldonado
Jorge Noé Díaz de León Hernández
Computational Study of Key Mechanistic Details for a Proposed Copper (I)-Mediated Deconstructive Fluorination of N-Protected Cyclic Amines [0.03%]
铜(I)介导的N保护环胺去构建式氟化的关键机理细节的计算研究
Alexey L Kaledin,Jose B Roque,Richmond Sarpong et al.
Alexey L Kaledin et al.
Using calculations, we show that a proposed Cu(I)-mediated deconstructive fluorination of N-benzoylated cyclic amines with Selectfluor® is feasible and may proceed through: (a) substrate coordination to a Cu(I) salt, (b) iminium ion format...