Article
Agricultural Engineering
Misa Mojca Cajnko, Jost Oblak, Miha Grilc, Blaz Likozar
Summary: Enzymes play a crucial role in lignin valorization, with different enzymes involved in various elementary reaction mechanisms. Degradation of lignin depends on enzyme activity and the interaction with proteins in ways that target specific covalent bonds in lignin. Various factors influence enzymatic activity, which must be taken into consideration for optimal functionality and synthesis yields.
BIORESOURCE TECHNOLOGY
(2021)
Review
Chemistry, Physical
Shanjun Mao, Zhe Wang, Qian Luo, Bing Lu, Yong Wang
Summary: Selective hydrogenation is an important reaction process for producing high-value chemicals. This Review focuses on the geometric and electronic structures of catalysts, as well as the adsorption and activation modes of reactants, reaction kinetics, structural sensitivity, and methods for geometric and electronic regulation. It also discusses distinctive concepts for catalyst design, aiming to contribute to the development of high-efficiency hydrogenation catalysts.
Article
Chemistry, Physical
Anna C. Doner, Judit Zador, Brandon Rotavera
Summary: Alkyl-substituted oxetanes are cyclic ethers formed via uni-molecular reactions of QOOH radicals produced via a six-membered transition state in the preceding isomerization step of organic peroxy radicals, ROO. Accounting for subsequent oxidation of cyclic ethers is important in order to accurately determine rates for QOOH -* products.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Environmental Sciences
Xiaoqing Wu, Qifeng Hou, Jiabin Huang, Jiajue Chai, Feng Zhang
Summary: In this study, the reaction kinetics of styrene + OH were extensively studied using high-level quantum chemical methods combined with RRKM/master equation simulations. The total rate coefficient for styrene + OH was calculated to be 1.7 x 10-11 cm3 molecule-1 s-1 at 300 K, 1 atm. The main products were identified as add beta (88.2%), add5 (6.9%), add alpha (1.9%) and add3 (1.7%), with an estimated atmospheric lifetime of 8.0 hours for styrene.
Article
Materials Science, Multidisciplinary
Hyeokgi Choi, Yoonchul Sohn
Summary: Interfacial reactions between liquid Ga and solid Au were investigated, and a single intermetallic phase (AuGa2) was observed at all temperatures. The growth of AuGa2 was mainly driven by supercooled liquid Ga and occurred at the preformed AuGa2/Au interface.
Article
Geochemistry & Geophysics
M. G. Franke, B. C. Schmidt, R. Stalder, B. Joachim-Mrosko
Summary: Reaction rims in metamorphic and metasomatic rocks contain important information that can be used to understand their history. This study focused on the influence of volatiles, particularly water, on reaction rim growth. The experiments showed that water acts as a catalyst and a minimum fluid threshold is needed for the initiation of metamorphic reactions. Reaction rims can be used as sensitive geohygrometers to monitor variations in water content at grain boundaries. Additionally, the effect of water on relative layer thicknesses can be utilized as a new physico-chemical gauge to distinguish between water-undersaturated and water-saturated conditions during metamorphic events.
CONTRIBUTIONS TO MINERALOGY AND PETROLOGY
(2023)
Article
Chemistry, Multidisciplinary
Javier Cabello-Garcia, Wooli Bae, Guy-Bart Stan, Thomas E. Ouldridge
Summary: The use of templates for sequence-controlled assemblies, particularly in long polymers, is a well-established method. However, the transient template recognition interactions during the biogenesis of sequence-controlled polymers can disrupt the equilibrium, leading to the production of far-from-equilibrium output. Handhold-mediated strand displacement (HMSD) is proposed as an alternative mechanism to generate out-of-equilibrium products by decoupling drive and specificity in DNA-based reactions.
Review
Chemistry, Multidisciplinary
Joyeeta Lodh, Shounik Paul, He Sun, Luyang Song, Wolfgang Schoefberger, Soumyajit Roy
Summary: While electrochemistry involves basic oxidation and reduction reactions, it becomes more complicated in real organic electrochemical reactions. The principles used in electrochemical reactions have been derived from physical organic chemistry and have influenced other organic/inorganic reactions. This review focuses on two main themes: the optimization factors in electrochemical reactions including electrodes, supporting electrolytes, and cell design, and the studies conducted in this field over the past 10 years. Electrochemical reactions can serve as a versatile tool for synthesizing important reactions by modifying the constant electrolysis current.
FRONTIERS IN CHEMISTRY
(2023)
Article
Chemistry, Physical
Guangming Cao, Jundie Hu, Jiafu Qu, Jiaqi Jin, Xiaogang Yang
Summary: This study elucidates the rate-law relationship of multiple-charge reactions using microkinetics calculation and steady-state approximation, exploring the charge transfer process in multiple-step reactions.
Article
Geosciences, Multidisciplinary
Kyle P. Larson, Sudip Shrestha, John M. Cottle, Carl Guilmette, T. Alex Johnson, H. Daniel Gibson, Felix Gervais
Summary: This study re-examined historical specimens from Monashee complex in the Canadian Cordillera and provided new insights into the distribution of rare earth elements between garnet and monazite during metamorphism. The findings confirmed previous interpretations and showed that trace elements in monazite can be reliable markers of metamorphic reactions.
GEOSCIENCE FRONTIERS
(2022)
Article
Engineering, Environmental
Hao Li, Xin Xu, Xue Liu, Zhen Yao, Kun Cao
Summary: The research investigated the kinetics of 1,3-butadiene dimerization under high temperature and high pressure using a microchannel reactor. The study found that the dimerization reaction produced VCH and COD, with COD only forming under high temperature conditions. By fitting experimental data, apparent kinetic parameters for the dimerization under high pressure were obtained, showing that the reaction rate constants in the liquid phase were greater than in the gas phase.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Yang Chao, Akash Krishna, Muthusamy Subramaniam, Dong-Dong Liang, Sidharam P. Pujari, Andrew C-H Sue, Guanna Li, Fedor M. Miloserdov, Han Zuilhof
Summary: The SuFEx reaction between sulfonimidoyl fluorides and phenols, sulfonimidates, exhibits dynamic covalent chemistry with other phenols. This enantiospecific reaction can be completed at room temperature within minutes and with high yields, making it useful for asymmetric synthesis and sustainable polymer production. Its broad scope further extends the applications of SuFEx and related click chemistries.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Geochemistry & Geophysics
Joshua D. Vaughan-Hammon, Lorenzo G. Candioti, Thibault Duretz, Stefan M. Schmalholz
Summary: In this study, numerical models were used to investigate the metamorphic facies evolution during orogenesis in the western European Alps. The results showed that syn-convergent exhumation of high-grade metamorphic rocks is feasible, and the calculated metamorphic facies distribution agrees with observations in the Western Alps.
GEOCHEMISTRY GEOPHYSICS GEOSYSTEMS
(2022)
Article
Engineering, Multidisciplinary
A. Morozov, A. B. Freidin, W. H. Mueller
Summary: This paper investigates the influence of mechanical stresses on the equilibrium, propagation, and stability of chemical reaction fronts in solids. A localized chemical reaction between diffusing and solid constituents is considered. The concept of the chemical affinity tensor is used to quantify the effect of mechanical stresses and strains on the chemical reaction rate and front velocity. The study introduces the notions of stress-affected and stress-induced chemical reactions and extends the linear stability analysis procedure for stress-induced phase transformations to chemical reactions in elastic solids. Numerical simulations of stable and unstable reaction fronts are performed.
INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE
(2023)
Article
Nanoscience & Nanotechnology
Huilan Li, Wenying Xue, Lina Wang, Tianxi Liu
Summary: The study introduces soluble lithium polysulfide of Li2S8 as a redox mediator to enhance the reversible oxidation efficiency of a freestanding fibrous SPAN cathode, improving the initial Coulombic efficiency and performance of Li-S batteries.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Geology
Freya R. George, Fred Gaidies
JOURNAL OF METAMORPHIC GEOLOGY
(2020)
Article
Geology
M. E. McMechan, K. G. Root, P. S. Simony, D. R. M. Pattison
Summary: Research shows that the Cariboo, northern Selkirk, Purcell, and Rocky Mountains are directly linked to the adjacent North American craton without discernible strike-slip or oblique displacement, confirming their geological connection.
Article
Geology
Fred Gaidies, Yannick E. Morneau, Duane C. Petts, Simon E. Jackson, Alex Zagorevski, Jim J. Ryan
Summary: The simulation of garnet crystallization in the MnNCKFMASHT model system revealed widespread Barrovian-type metamorphism and examined the nucleation and growth processes of garnet, combining multiple data sources and analytical techniques for in-depth investigation.
JOURNAL OF METAMORPHIC GEOLOGY
(2021)
Article
Geology
Fred Gaidies, Freya R. George
Summary: By studying the compositional growth zoning geometry of garnet porphyroblasts in a mica schist, researchers gained insights into the growth rates of individual crystals, departure from equilibrium, and interface mobility. The study found that garnet growth exhibited size-dependent patterns at macroscopic scales, with smaller crystals experiencing decreased growth rates. Additionally, the presence of abundant graphite in the rock matrix may have hindered the mobility of the garnet-matrix interface.
Article
Multidisciplinary Sciences
Alexandra B. Nagurney, Mark J. Caddick, David R. M. Pattison, F. Marc Michel
Summary: The study reveals that garnet crystals are preferentially nucleated on muscovite, leading to oriented relationships between the two minerals. These results highlight the importance of epitaxial nucleation in metamorphic processes and its implications for mineral crystallization and energetics of metamorphic reactions.
SCIENTIFIC REPORTS
(2021)
Article
Geochemistry & Geophysics
Jacob B. Forshaw, David R. M. Pattison
Summary: Fe3+ and XFe3+ are key parameters in phase equilibrium modeling but can only be estimated using certain techniques. Analyses of XFe3+ in different minerals show variations, influenced by the type of Fe-oxide present in the rocks.
CONTRIBUTIONS TO MINERALOGY AND PETROLOGY
(2021)
Article
Geosciences, Multidisciplinary
David R. M. Pattison, Shantal A. Goldsmith
Summary: The metamorphism of the Buchan block in northeast Scotland and its relation to the Barrovian domain to its west have been reassessed using mineral assemblages, microstructures, phase equilibrium modelling, and monazite U-Pb geochronology. The study revealed distinct metamorphic grade zones and different metamorphic field gradients corresponding to mineral assemblage sequences. Monazite U-Pb geochronology confirmed that gneisses in the Buchan block are metamorphosed Dalradian strata rather than older basement gneisses.
JOURNAL OF THE GEOLOGICAL SOCIETY
(2022)
Article
Zoology
Brigid E. Christison, Fred Gaidies, Silvia Pineda-Munoz, Alistair R. Evans, Marisa A. Gilbert, Danielle Fraser
Summary: This study investigates whether there was niche overlap in terms of diet between coexisting creodonts and carnivorans during the late Eocene. The results suggest that marked differences in body size likely facilitated niche partitioning between the two groups.
JOURNAL OF MAMMALOGY
(2022)
Article
Geology
Fred Gaidies, Olivier K. A. Heldwein, Maria Thereza A. G. Yogi, Jamie A. Cutts, Matthijs A. Smit, A. Hugh N. Rice
Summary: The equilibrium model was tested on Barrovian garnet-zone micaschists within the Kalak Nappe Complex, revealing that growth zoning in garnet is influenced by intracrystalline diffusion kinetics. The core of garnet does not retain its major element composition, reflecting the overgrowth composition. Systematic trends in lithological, geochemical, and Lu-Hf garnet whole-rock isotopic properties enable the identification of the Veidnes, Bekkarfjord, and Kolvik Nappes involved in the Caledonian Orogeny. Different stages of the Scandian phase during the Caledonian Orogeny, including wide-spread Barrovian-type metamorphism, have been identified based on pressure-temperature paths and metamorphic conditions.
JOURNAL OF METAMORPHIC GEOLOGY
(2022)
Article
Geochemistry & Geophysics
R. Soucy La Roche, S. C. Dyer, A. Zagorevski, J. M. Cottle, F. Gaidies
Summary: Using petrochronology, we studied the Florence Range metamorphic suite in the northern Canadian Cordillera and reconstructed the polyphase metamorphic evolution of the Yukon-Tanana terrane. Our findings reveal three metamorphic episodes spanning over 150 Myr, with the earliest event occurring around 270-240 Ma and the latest event around 120 Ma. The study highlights the importance of analyzing petrochronometers in their textural context for extracting valuable P-T-t information.
Article
Geosciences, Multidisciplinary
Nicole A. Rioseco, David R. M. Pattison, Alfredo Camacho
Summary: This study examines the tectonic features and rock composition of the Purcell anticlinorium and Kootenay arc in the Canadian Cordillera. The Purcell anticlinorium consists of Mesoproterozoic rocks, while the Kootenay arc is composed of Neoproterozoic to Paleozoic strata. The interface between the two domains has undergone different metamorphic and tectonic processes.
CANADIAN JOURNAL OF EARTH SCIENCES
(2022)
Article
Geology
Jacob B. Forshaw, David R. M. Pattison
Summary: Pelites are important rocks for understanding metamorphism due to their widespread occurrence and range of mineral assemblages at different pressure and temperature conditions. A global database of pelite analyses was compiled to determine average composition, examine composition variability, and assess grade-related geochemical changes. The study found that pelites show a decrease in volatile content and XFe3+ with increasing metamorphic grade. Rating: 8/10.
Article
Geology
Xu Chu, Ozan Akca, Fred Gaidies, Ivano Gennaro, Weiqiang Ji
Summary: The thermal histories of Himalayan leucogranites play a critical role in understanding the post-collisional geodynamics of the Himalayas. The study focuses on the Ramba Dome, which is located at the intersection of the Tethyan Himalayan leucogranite belt and the Yadong-Gulu Rift, and provides important insights into the thermal history of the aureole and the cessation of leucogranite magmatism.
JOURNAL OF METAMORPHIC GEOLOGY
(2023)
Article
Geology
F. Gaidies, T. Mccarron, A. D. Simpson, R. M. Easton, S. Glorie, B. Putlitz, K. Trebus
Summary: The Flinton Group in SE Ontario is a metasedimentary succession that provides insight into the tectono-thermal evolution of continental crust. The study reveals the composition and structural variations within garnet crystals in the Flinton Group metapelites. The nucleation of garnet on biotite and subsequent metamorphic events have been identified, shedding light on the geological history of the region.
JOURNAL OF METAMORPHIC GEOLOGY
(2023)
Article
Geology
Jacob B. Forshaw, David R. M. Pattison
Summary: Pelites are the most important rock type for interpreting metamorphism due to their widespread occurrence and range of mineral assemblages at different pressure and temperature conditions. A global database of pelites was compiled to determine their average composition, examine the variability in composition, and assess grade-related geochemical changes. The results show a decrease in volatile content and XFe3+ with increasing metamorphic grade, while SiO2, Al2O3, and A(Ms) values increase in specific metamorphic zones.