Article
Chemistry, Multidisciplinary
Jian Jiang, Kaiyu He, Xue Cai, Hong Yu, Minghui Zuo, Guan Yun, Tao Yun, Yue Ma, Zitong Zhang, Yunling Liu, Zhenlu Wang
Summary: A novel covalent organic framework (COF) (Tp-BI-COF) was successfully synthesized through a cascade of ketimine condensation followed by aldimine condensation. Tp-BI-COF showed high stability towards acid, organic solvent, and boiling water, and exhibited photochromic properties after irradiation with a xenon lamp. The stable COF with aligned one-dimensional nanochannels provided nitrogen sites on pore walls, which confined and stabilized H3PO4 in the channel via hydrogen-bonding interactions. After loading with H3PO4, the material showed excellent anhydrous proton conductivity.
Article
Chemistry, Physical
Wen-Qian Zhang, Hong-Cheng Shen
Summary: All-carbon quaternary stereocenters are important components of natural products and bioactive compounds, and a nickel and chiral amine cooperative catalysis has been disclosed to enable highly enantioselective allylic alkylation reactions. This method allows for the synthesis of diverse compounds with excellent enantioselectivity, and has been demonstrated in the synthesis of key chiral building blocks for bioactive compounds such as (+)-eptazocine and (-)-aphanorphine.
Article
Chemistry, Physical
Mai M. Khalaf, Hany M. Abd El-Lateef, Mohamed Gouda, Fatma N. Sayed, Gehad G. Mohamed, Ahmed M. Abu-Dief
Summary: A series of novel imine metal chelates with different metal ions were prepared and characterized using various analytical techniques in this study, and their properties in terms of anti-pathogenic and anticancer activities were investigated. By molecular docking, the binding of these chelates to breast cancer-related receptors was discovered.
Article
Chemistry, Physical
Mingyuan Li, Zhengguo Cai, Moris S. Eisen
Summary: A new family of [N,N]-type bidentate aldimine imidazolidin-2-imine/guanidine ligands and their nickel complexes were synthesized and characterized. These nickel catalysts exhibited high activity for norbornene polymerization and copolymerization with 1-alkenes, producing various norbornene-based high-molecular-weight cyclic olefin copolymers. The nickel complexes also showed tolerance towards polar monomers, promoting the direct copolymerization of norbornene and methyl 10-undecenoate.
JOURNAL OF CATALYSIS
(2023)
Article
Crystallography
Magdalena Siedzielnik, Dimitrios A. Pantazis, Jakub Bruniecki, Kinga Kaniewska-Laskowska, Anna Dolega
Summary: Three novel Ni complexes with a Schiff base ligand were described, with the coordination mode altered due to the presence of a methoxy substituent. Partial hydrolysis of the ligand was observed during synthesis, and DFT calculated structures of similar complexes were compared to account for this phenomenon.
Article
Chemistry, Multidisciplinary
Hyo-Jun Lee, Keiji Maruoka
Summary: This article provides detailed insights into the applications of four types of amino Tf-amide catalysts in asymmetric transformations, including stereoselective reactions catalyzed by enamine intermediates, asymmetric direct Mannich reactions catalyzed by aliphatic Tf-amides, asymmetric direct aldol reactions and conjugate additions catalyzed by primary-amino aliphatic Tf-amides, and asymmetric transformations catalyzed by modified amino aromatic Tf-amides.
Article
Chemistry, Inorganic & Nuclear
Patrick J. Desrochers, Ali Abdulrahim, Katherine R. Demaree, Joseph A. Fortner, Jamie D. Freeman, Makenzie Provorse Long, Madison E. Martin, Carlos J. Gomez-Garcia, Nikolay Gerasimchuk
Summary: The optical, structural, and magnetic properties of iron(II,III) sandwich complexes, Fe(Tp ')2n+ (Tp ' = bis(3,5-dimethylpyrazolyl)benzotriazolylborate), are described. The intensely colored FeII(Tp ')2 (orange) and FeIII(Tp ')2+ (purple) show strong MLCT bands. Geometric isomerism for M(Tp ')2 is established crystallographically in the racemate of chiral cis-Fe(Tp ')2. For the first time, paramagnetic 11B NMR describes solution-phase low-spin (LS, S 0) to high-spin (HS, S = 2) crossover behavior in Fe(Tp ')2. Thermochemical parameters for solution-phase SCO of Fe(Tp ')2 demonstrate the endothermic LS to HS conversion and entropic preference of the HS state. Entropy changes for both Fe(Tp ')2 isomers are significantly larger than for the majority of iron scorpionate SCO systems. Solid-state magnetic and thermochemical measurements show cis-Fe(Tp ')2 to be thermally stable up to 520 K, allowing experimental investigation of a solid-state SCO magnetic hysteresis of over 45 K. A large solution vs solid-state SCO difference was observed: cis-Fe(Tp ')2 shows Tc Pe. 270 K (solution) and Tc Pe. 385 K (solid), with the remarkably wide Delta Tc Pe. 115 K; trans-Fe(Tp ')2 shows Tc Pe. 278 K (solution) and Tc Pe. 372 K (solid). Solid-state Tc values are among the highest seen for iron(II) molecular systems. The large solution/solid Delta Tc difference is explained by anchoring intermolecular interactions in the solid state that prevent thermal expansion of the LS iron(II) coordination sphere in its transition to the HS state. DFT calculations, validated against LS cis-Fe(Tp ')2 crystallography and LS to HS SCO thermochemical parameters, demonstrate the role the benzotriazole rings play in its structural and optical properties. The Lewis basicity of M(Tp ')2 is shown with the structural characterization of the air-stable tin(II) adduct [cis-Fe(Tp ')2-SnCl2]; tin(II) coordination does not alter the iron(II) spin state. The Tp ' chelate adds functionality (asymmetry, chirality, chemical reactivity) to the array of iron SCO materials for potential incorporation into nanoscale magnetic switches and spintronic devices.
INORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Daniele Sadutto, Paolo Guglielmi, Simone Carradori, Daniela Secci, Roberto Cirilli
Summary: The study investigates the tautomerization process of the imine moiety of the isoxazoline ring in the presence of a basic catalyst. The results can be used to control the stereointegrity of pharmacologically active compounds and guide the synthesis towards the desired tautomer.
Article
Engineering, Multidisciplinary
Michael Hackney, Alex James, Michael J. Plank
Summary: Classical fisheries biology aims to optimize fisheries-level outcomes by controlling fishing effort, but when multiple fishing entities can autonomously determine their own effort, the optimal action for one entity depends on the actions of others. We utilize stochastic optimization tools to address this iterated stochastic game and derive optimal policies for different scenarios.
APPLIED MATHEMATICAL MODELLING
(2021)
Article
Engineering, Electrical & Electronic
Atefeh Hassanpour, Emad Roghanian
Summary: This paper presents a two-stage stochastic programming formulation for yearly generation maintenance scheduling, considering the unreliability of power generators and the possibility of unit failures to maximize the net profit of generation companies. The decisions made in two stages, based on the Nash Equilibrium theory, involve independent generation amounts and load allocations.
INTERNATIONAL JOURNAL OF ELECTRICAL POWER & ENERGY SYSTEMS
(2021)
Article
Chemistry, Multidisciplinary
Eeva Heliovaara, Henri Liljeqvist, Mikko Muuronen, Aleksi Eronen, Karina Moslova, Timo Repo
Summary: The development of new, environmentally benign dissolution methods for metallic gold is driven by needs in the circular economy. A quantitative dissolution of gold in organic solution under mild conditions is achieved by using hydrogen peroxide as an oxidant and two thiol ligands working in a cooperative manner. This ligand-exchange mechanism allows to drastically reduce thiol consumption and may lead to more effective gold dissolution methods in the future.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Hui-Jie Pan, Gangfeng Huang, Matthew D. Wodrich, Farzaneh Fadaei Tirani, Kenichi Ataka, Seigo Shima, Xile Hu
Summary: The study discusses the reconstitution of [Mn]-hydrogenases using Mn-I complexes, highlighting the importance of internal base or pro-base in catalysis. The results confirm the essential role of metal-ligand cooperation for H-2 activation and indicate differences in the mode of cooperation between active [Mn]-hydrogenases and native [Fe]-hydrogenase. This work demonstrates the possibility of reconstituting active artificial hydrogenases using synthetic complexes.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Huan Li, Xuefeng Liu
Summary: The research demonstrates that dynamic imine surfactants can be constructed in water through the formation of dynamic imine bonds, leading to the creation of dynamic combinatorial libraries. Different amphiphilic DIS have varying effects on stabilizing emulsions, with SBBA-HA (or SBBA-BA) DIS being suitable for stable emulsions while SBBA-OA (or SBBA-DA) DIS is not.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Construction & Building Technology
Sonja M. Russo, Jana Voegl, Patrick Hirsch
Summary: This research provides guidance on designing urban logistics hubs for cooperative use by different courier-, express and parcel service providers. Using qualitative and quantitative data, a linear optimization model is established to maximize the utility of hub space utilization. The results reveal conflicting and common goals among stakeholders involved in the study.
SUSTAINABLE CITIES AND SOCIETY
(2021)
Article
Chemistry, Physical
Yuqi Yu, Arnau Rue Casamajo, William Finnigan, Christian Schnepel, Rhys Barker, Charlotte Morrill, Rachel S. Heath, Leonardo De Maria, Nicholas J. Turner, Nigel S. Scrutton
Summary: Biocatalysis plays a crucial role in the discovery, development, and manufacturing of pharmaceuticals. A structure-based computational workflow called IREDFisher has been developed to prioritize protein sequences based on predicted activities, reducing the need for resource-intensive laboratory-based screening. IREDFisher successfully identified highly active imine reductases for various reactions, significantly reducing the number of samples that need to be tested in vitro. With a user-friendly web interface, IREDFisher enables rapid discovery of biocatalysts with minimal time and resource expenditure.
Article
Chemistry, Inorganic & Nuclear
Truman C. Wambach, Michael D. Fryzuk
INORGANIC CHEMISTRY
(2015)
Article
Chemistry, Multidisciplinary
D. C. Aluthge, J. M. Ahn, P. Mehrkhodavandi
Article
Chemistry, Inorganic & Nuclear
T. C. Wambach, C. Lenczyk, B. O. Patrick, M. D. Fryzuk
DALTON TRANSACTIONS
(2016)
Article
Chemistry, Inorganic & Nuclear
Vincent T. Annibale, Thomas G. Ostapowicz, Stefan Westhues, Truman C. Wambach, Michael D. Fryzuk
DALTON TRANSACTIONS
(2016)
Article
Chemistry, Multidisciplinary
Jun Myun Ahn, Jonas C. Peters, Gregory C. Fu
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2017)
Article
Chemistry, Multidisciplinary
Jun Myun Ahn, Tanvi S. Ratani, Kareem I. Hannoun, Gregory C. Fu, Jonas C. Peters
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2017)
Article
Chemistry, Physical
Benjamin A. Suslick, Allegra L. Liberman-Martin, Truman C. Wambach, T. Don Tilley
Article
Chemistry, Inorganic & Nuclear
Ting Zhu, Truman C. Wambach, Michael D. Fryzuk
INORGANIC CHEMISTRY
(2011)
Article
Chemistry, Inorganic & Nuclear
Dinesh C. Aluthge, Ellen X. Yan, Jun Myun Ahn, Parisa Mehrkhodavandi
INORGANIC CHEMISTRY
(2014)
Article
Chemistry, Multidisciplinary
Joel A. Kelly, Kevin E. Shopsowitz, Jun Myun Ahn, Wadood Y. Hamad, Mark J. MacLachlan
Article
Materials Science, Multidisciplinary
Joel A. Kelly, C. P. Kyle Manchee, Susan Cheng, Jun Myun Ahn, Kevin E. Shopsowitz, Wadood Y. Hamad, Mark J. MacLachlan
JOURNAL OF MATERIALS CHEMISTRY C
(2014)
Article
Chemistry, Multidisciplinary
Heejun Lee, Jun Myun Ahn, Paul H. Oyala, Cooper Citek, Haolin Yin, Gregory C. Fu, Jonas C. Peters
Summary: Photoinduced, copper-catalyzed couplings of nitrogen nucleophiles with alkyl electrophiles have been shown to be an attractive approach for achieving enantioselective C-N bond formations. This study provides mechanistic insight into a previously reported photoinduced, copper-catalyzed enantioconvergent C-N coupling. Experimental and computational results support the proposed intermediates and their chemical stability and competence in producing the desired C-N coupling product with enantioselectivity.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Multidisciplinary Sciences
Holden W. H. Lai, Francesco M. Benedetti, Jun Myun Ahn, Ashley M. Robinson, Yingge Wang, Ingo Pinnau, Zachary P. Smith, Yan Xia
Summary: A class of hydrocarbon ladder polymers with high selectivity and high permeability has been discovered, which shows great potential for industrial gas separations and exhibits desirable mechanical and thermal properties.