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Journal articles on the topic 'Coordination Sites'

Author: Grafiati

Published: 7 September 2023

Last updated: 26 July 2025

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1

Wytko, Jennifer A., and Jean Weiss. "Arranging coordination sites around cyclotriveratrylene." Journal of Inclusion Phenomena and Molecular Recognition in Chemistry 19, no. 1-4 (1994): 207–25. http://dx.doi.org/10.1007/bf00708983.

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2

Hunter, Gregory A., and Gloria C. Ferreira. "Metal ion coordination sites in ferrochelatase." Coordination Chemistry Reviews 460 (June 2022): 214464. http://dx.doi.org/10.1016/j.ccr.2022.214464.

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3

Ben Othman, Amel, Young Hoon Lee, Keisuke Ohto, Rym Abidi, Yang Kim, and Jacques Vicens. "Multi-calixarenes with multidentate coordination sites." Journal of Inclusion Phenomena and Macrocyclic Chemistry 62, no. 1-2 (2008): 187–91. http://dx.doi.org/10.1007/s10847-008-9455-z.

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4

Neu, J. P., P. Di Martino-Fumo, B. Oelkers, et al. "Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes." Dalton Transactions 47, no. 29 (2018): 9643–56. http://dx.doi.org/10.1039/c8dt01523f.

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5

Hawthorne, F. C., and L. A. Groat. "The crystal structure and chemical composition of cumengéite." Mineralogical Magazine 50, no. 355 (1986): 157–62. http://dx.doi.org/10.1180/minmag.1986.050.355.21.

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AbstractThe crystal structure of cumengéite, Pb21Cu20Cl42(OH)40, tetragonal, a= 15.065(2), c= 24.436(5) Å, V = 5546(2) Å3, space group I4/mmm, Z = 2, has been solved by direct methods and refined by least-squares to an R index of 7.1 % for 1158 observed (I > 2.5σ I) reflections. The cumengéite structure shows a very diverse range of cation coordinations. There are five distinct Pb sites with the following coordination polyhedra: octahedron, square antiprism, augmented trigonal prism, a very distorted biaugmented trigonal prism and a fairly regular biaugmented trigonal prism, the latter bein

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6

Aidote, François, Urbain Amah Kuevi, Assongba Gaston Kpotin, T. Alice Kpota-Houngue, G. Sylvain Atohoun, and Jean-Baptiste Mensah. "Quantum-Chemical Study of the Coordination of Some Biguanides and their N-Deprotonated Derivatives." Chemistry Research Journal 3, no. 6 (2018): 111–21. https://doi.org/10.5281/zenodo.13760536.

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The biguanides [HN=C(NR<sub>1</sub>R<sub>2</sub>)-NH-C(NR<sub>3</sub>R<sub>4</sub>)= NH] constitute an important family of molecules used as drugs in the treatment of diabetes. The five nitrogen atoms are potential coordination sites since they each carry a free electron pair. In the state of complexes, the therapeutic properties of the active molecules increase considerably. Recent experiments with Zinc complexes on diabetic animals have been very successful. The present work deals with the Quanto-Chemical Study of the Coordination of some Biguanides such as biguanide, metformin and butformin

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7

OSIPOV, A. A., K. A. TERESHCHENKO, D. A. SHIYAN, V. P. BONDARENKO, E. M. SABITOVA, and N. V. ULITIN. "KINETIC ANALYSIS OF THE GEL EFFECT IN RADICAL COORDINATION POLYMERIZATION OF METHYL METHACRYLATE IN THE PRESENCE OF ZIRCONOCENE DICHLORIDE." Herald of Technological University 27, no. 8 (2024): 57–66. https://doi.org/10.55421/1998-7072_2024_27_8_57.

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Using a kinetic model, an analyzis of the coordination active sites functioning in radical coordination methyl methacrylate polymerization in the presence of initiating system “benzoyl peroxide + zirconocene dichloride” at different methyl methacrylate conversions was carried out. The purpose of the work was to establish the reasons for the manifestation of the gel effect in this process despite the fact that, firstly, a significant role in it is played by coordination chain propagation, where the gel effect is not characteristic, and, secondly, there are reactions with reversible-deactivation

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8

Coluccia, Salvatore, and Leonardo Marchese. "Surface sites of microcrystals: Coordination and reactivity." Catalysis Today 41, no. 1-3 (1998): 229–38. http://dx.doi.org/10.1016/s0920-5861(98)00052-2.

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9

Balić-Žunić, Tonči. "The crystal structure of the new mineral dyrnaesite-(La),Na8CeIVREE2(PO4)6." Mineralogical Magazine 81, no. 1 (2017): 199–208. http://dx.doi.org/10.1180/minmag.2016.080.096.

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AbstractDyrnaesite-(La), Na7.89(Ce0.94Ca0.06)∑1.00(La1.14Ce0.40Pr0.10Nd0.24Ca0.12)∑2.00(PO4)6 is orthorhombic, Pnma, a = 18.4662(7), b= 16.0106(5), c = 7.0274(2) Å, V = 2077.7(1) Å3, Z = 4. The crystal structure is related to the group of Na3REE(XO4)2 compounds (with X = P, V, As), based on the aphthitalite/glaserite structural type. Dyrnaesite is distinct in having ordered Na vacancies, and a rare-earth element (REE) site occupied preferentially by Ce4+. This also distinguishes it from closely related vitusite-(Ce) [Na3REE(PO4)2]. The relation of their unit cells is: ad= bv, bd = 3av, cd = 1/

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10

Kökçam-Demir, Ülkü, Anna Goldman, Leili Esrafili, et al. "Coordinatively unsaturated metal sites (open metal sites) in metal–organic frameworks: design and applications." Chemical Society Reviews 49, no. 9 (2020): 2751–98. http://dx.doi.org/10.1039/c9cs00609e.

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The defined synthesis of OMS in MOFs is the basis for targeted functionalization through grafting, the coordination of weakly binding species and increased (supramolecular) interactions with guest molecules.

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11

Daniel, A. Gerard, and Nicholas P. Farrell. "The dynamics of zinc sites in proteins: electronic basis for coordination sphere expansion at structural sites." Metallomics 6, no. 12 (2014): 2230–41. http://dx.doi.org/10.1039/c4mt00213j.

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12

Findley, Sally, Michael Rosenthal, Tyra Bryant-Stephens, et al. "Community-Based Care Coordination." Health Promotion Practice 12, no. 6_suppl_1 (2011): 52S—62S. http://dx.doi.org/10.1177/1524839911404231.

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Care coordination programs have been used to address chronic illnesses, including childhood asthma, but primarily via practice-based models. An alternative approach employs community-based care coordinators who bridge gaps between families, health care providers, and support services. Merck Childhood Asthma Network, Inc. (MCAN) sites developed community-based care coordination approaches for childhood asthma. Using a community-based care coordination logic model, programs at each site are described along with program operational statistics. Four sites used three to four community health worker

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13

Carlise, Joseph R., and Marcus Weck. "Side-chain functionalized polymers containing bipyridine coordination sites: Polymerization and metal-coordination studies." Journal of Polymer Science Part A: Polymer Chemistry 42, no. 12 (2004): 2973–84. http://dx.doi.org/10.1002/pola.20134.

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14

Sakamoto, Hirotoshi, Ryotaro Matsuda, Sareeya Bureekaew, Daisuke Tanaka, and Susumu Kitagawa. "A Porous Coordination Polymer with Accessible Metal Sites and its Complementary Coordination Action." Chemistry - A European Journal 15, no. 20 (2009): 4985–89. http://dx.doi.org/10.1002/chem.200802730.

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15

Huang, Shu-yuan, Jin-yuan Li, Jian-qiang Li, et al. "Exceptional temperature-dependent coordination sites from acylamide groups." Dalton Transactions 43, no. 14 (2014): 5260. http://dx.doi.org/10.1039/c3dt53123f.

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16

Weber, Joachim, Sean T. Hammond, Susan Wilke-Mounts, and Alan E. Senior. "Mg2+Coordination in Catalytic Sites of F1-ATPase†." Biochemistry 37, no. 2 (1998): 608–14. http://dx.doi.org/10.1021/bi972370e.

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17

Xia, Xin, Richard J. Oldman, and C. Richard A. Catlow. "Zirconium dioxide topological surfaces with low coordination sites." Journal of Materials Chemistry 21, no. 38 (2011): 14549. http://dx.doi.org/10.1039/c1jm11751c.

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18

Meyer, Franc, та Hans Pritzkow. "Bridging β-Lactam Coordination at Dinuclear Zinc Sites". European Journal of Inorganic Chemistry 2005, № 12 (2005): 2346–51. http://dx.doi.org/10.1002/ejic.200401032.

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19

Bae, Jinhee, Eun Ji Lee, and Nak Cheon Jeong. "Metal coordination and metal activation abilities of commonly unreactive chloromethanes toward metal–organic frameworks." Chemical Communications 54, no. 50 (2018): 6458–71. http://dx.doi.org/10.1039/c8cc02348d.

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The commonly inert chloromethanes, dichloromethane and trichloromethane, can exchange other solvents bonded at open coordination sites in metal–organic frameworks, providing a new route to activate the open coordination sites for subsequent use in applications.

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20

Franzosa, Emily, Morgan Traylor, Vivian Guerrero Aquino, et al. "Care Team Members’ Perceptions of an Informatics Intervention to Improve Geriatric Care Across Multiple sites." Innovation in Aging 4, Supplement_1 (2020): 519. http://dx.doi.org/10.1093/geroni/igaa057.1675.

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Abstract Electronic health information exchange (HIE) may improve care for geriatric patients receiving care across multiple sites by reducing test duplication, medication prescribing errors, and adverse events. This project evaluated the implementation of an HIE intervention at two VA medical centers offering VA providers real-time notification of non-VA inpatient or ED use, followed by post-hospital geriatric care coordination. We interviewed 23 providers (physicians, nurses, social workers and other care team staff) about their experiences with the program. Interviews were analyzed using th

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21

Li, Min, Minmin Wang, Dongyuan Liu, et al. "Atomically-dispersed NiN₄–Cl active sites with axial Ni–Cl coordination for accelerating electrocatalytic hydrogen evolution." Journal of Materials Chemistry A 10, no. 11 (2022): 6007–15. http://dx.doi.org/10.1039/d1ta08287f.

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The NiN4–Cl SAs/N–C electrocatalyst consisting of NiN4–Cl active sites with axial Ni–Cl coordination was synthesized. The axial Cl-coordination modulates the electronic configuration of Ni–N4 sites and enhances the interaction of Ni–H efficiently.

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22

Edington, Sean C., Andrea Gonzalez, Thomas R. Middendorf, D. Brent Halling, Richard W. Aldrich, and Carlos R. Baiz. "Coordination to lanthanide ions distorts binding site conformation in calmodulin." Proceedings of the National Academy of Sciences 115, no. 14 (2018): E3126—E3134. http://dx.doi.org/10.1073/pnas.1722042115.

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The Ca2+-sensing protein calmodulin (CaM) is a popular model of biological ion binding since it is both experimentally tractable and essential to survival in all eukaryotic cells. CaM modulates hundreds of target proteins and is sensitive to complex patterns of Ca2+ exposure, indicating that it functions as a sophisticated dynamic transducer rather than a simple on/off switch. Many details of this transduction function are not well understood. Fourier transform infrared (FTIR) spectroscopy, ultrafast 2D infrared (2D IR) spectroscopy, and electronic structure calculations were used to probe int

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23

Prabhakara Rao, Koya. "Coordination preferred open metal sites containing porous coordination polymers for selective gas/solvent adsorption." Materials Today: Proceedings 19 (2019): 2604–8. http://dx.doi.org/10.1016/j.matpr.2019.10.095.

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24

Huang, Mengxue, Ruimin Ding, Lifang Chen, et al. "(Digital Presentation) Structure-Activity Relationship of M-N-C Electrocatalysts Synthesized Using a General Solution-Phase Coordination Approach." ECS Meeting Abstracts MA2023-01, no. 38 (2023): 2294. http://dx.doi.org/10.1149/ma2023-01382294mtgabs.

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Metal- and nitrogen-doped carbon (M-N-C) catalysts have great potential in heterogeneous catalysis. They are used to catalyze various crucial electrochemical reactions, such as the oxygen reduction reaction (ORR), the hydrogen evolution reaction (HER), the oxygen evolution reaction (OER), and the CO2 reduction reaction (CO2RR).1-4 The nitrogen-coordinated metal sites (MNx) have been considered the main active sites in these M-N-C catalysts. However, the synthesis of MNx moieties often undergoes a high-temperature heat-treatment step, resulting in low site density. On the other side, the coordi

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25

Shinozaki, Y., I. Yoshikawa, K. Araki, K. Sugawa, and J. Otsuki. "Control of higher-order structures of zinc chlorophyll coordination polymers." CrystEngComm 16, no. 39 (2014): 9155–57. http://dx.doi.org/10.1039/c4ce00861h.

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26

Kitagawa, S., and S. Furukawa. "Porous coordination polymers having guest-accessible functional organic sites." Acta Crystallographica Section A Foundations of Crystallography 64, a1 (2008): C104. http://dx.doi.org/10.1107/s0108767308096682.

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27

Gruber, Mathias, Per Greisen, Caroline M. Junker, and Claus Hélix-Nielsen. "Phosphorus Binding Sites in Proteins: Structural Preorganization and Coordination." Journal of Physical Chemistry B 118, no. 5 (2014): 1207–15. http://dx.doi.org/10.1021/jp408689x.

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28

Lu, Bingzhang, Qiming Liu, and Shaowei Chen. "Electrocatalysis of Single-Atom Sites: Impacts of Atomic Coordination." ACS Catalysis 10, no. 14 (2020): 7584–618. http://dx.doi.org/10.1021/acscatal.0c01950.

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29

Solola, Lukman A., Patrick J. Carroll, and Eric J. Schelter. "Cationic cerium(IV) complexes with multiple open coordination sites." Journal of Organometallic Chemistry 857 (February 2018): 5–9. http://dx.doi.org/10.1016/j.jorganchem.2017.10.017.

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30

Wade, Warren S., Jong S. Koh, Nianhe Han, Denise M. Hoekstra, and Richard A. Lerner. "Engineering metal coordination sites into the antibody light chain." Journal of the American Chemical Society 115, no. 11 (1993): 4449–56. http://dx.doi.org/10.1021/ja00064a005.

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31

Gramage-Doria, Rafael, Dominique Armspach, and Dominique Matt. "Metallated cavitands (calixarenes, resorcinarenes, cyclodextrins) with internal coordination sites." Coordination Chemistry Reviews 257, no. 3-4 (2013): 776–816. http://dx.doi.org/10.1016/j.ccr.2012.10.006.

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32

Tashiro, Shohei. "Chemistry of Coordinatively Unsaturated Sites in Porous Coordination Polymers." Bulletin of Japan Society of Coordination Chemistry 60 (2012): 32–34. http://dx.doi.org/10.4019/bjscc.60.32.

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33

Boniecki, Michal T., and Susan A. Martinis. "Coordination of tRNA Synthetase Active Sites for Chemical Fidelity." Journal of Biological Chemistry 287, no. 14 (2012): 11285–89. http://dx.doi.org/10.1074/jbc.c111.325795.

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34

Turner, M. A., S. P. J. Albracht, W. L. Driessen, and J. Reedijk. "Nickel coordination compounds as models for hydrogenase active sites." Journal of Inorganic Biochemistry 36, no. 3-4 (1989): 224. http://dx.doi.org/10.1016/0162-0134(89)84229-1.

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35

Zhao, Yibo, Yunfeng Lu, Ao Liu, Zhi-Yuan Zhang, Chunju Li, and Andrew C. H. Sue. "Macrocycle with Equatorial Coordination Sites Provides New Opportunity for Structure-Diverse Metallacages." Molecules 28, no. 6 (2023): 2537. http://dx.doi.org/10.3390/molecules28062537.

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Reported here is the synthesis of a macrocycle with equatorial coordination sites for the construction of self-assembled metallacages. The macrocycle is prepared via a post-modification on the equator of biphen[n]arene. Utilizing this macrocycle as a ligand, three prismatic cages and one octahedral cage were synthesized by regulating the geometric structures and coordination number of metal acceptors. The multi-cavity configuration of prismatic cage was revealed by single-crystal structure. We prove that a macrocycle with equatorial coordination sites can be an excellent building block for syn

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36

Frogley, Benjamin J., and Anthony F. Hill. "Metal coordination to bipyridyl carbynes." Dalton Transactions 49, no. 10 (2020): 3272–83. http://dx.doi.org/10.1039/c9dt04744a.

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A new synthetic approach to hetero-aryl substituted carbyne complexes has allowed the synthesis of bipyridyl functionalised carbynes and bis(carbynes) with three potential sites for metal coordination to either the two pyridyl donors or the WC bond.

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37

Deiters, Emmanuel, Véronique Bulach, and Mir Wais Hosseini. "Heterobimetallic coordination networks based on metallaporphyrins bearing four pyridine N-oxide groups as coordinating sites." Dalton Transactions, no. 37 (2007): 4126. http://dx.doi.org/10.1039/b708302e.

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38

Deiters, Emmanuel, Véronique Bulach, Nathalie Kyritsakas, and Mir Wais Hosseini. "Molecular tectonics: coordination networks based on porphyrins bearing pyridine N-oxide groups as coordinating sites." New Journal of Chemistry 29, no. 12 (2005): 1508. http://dx.doi.org/10.1039/b511049c.

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39

Belle, Catherine, Isabelle Gautier-Luneau, Jean-Louis Pierre, Corinne Scheer, and Eric Saint-Aman. "A Phenoxo-Bridged Diferric Complex with Two Different Coordination Numbers in Two Distinct Coordination Sites." Inorganic Chemistry 35, no. 12 (1996): 3706–8. http://dx.doi.org/10.1021/ic951305v.

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40

Zheng, Heping, Mahendra Chordia, David Cooper, et al. "Check your metal - not every density blob is a water molecule." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1483. http://dx.doi.org/10.1107/s2053273314085167.

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Metals play vital roles in both the mechanism and architecture of biological macromolecules, and are the most frequently encountered ligands (i.e. non-solvent heterogeneous chemical atoms) in the determination of macromolecular crystal structures. However, metal coordinating environments in protein structures are not always easy to check in routine validation procedures, resulting in an abundance of misidentified and/or suboptimally modeled metal ions in the Protein Data Bank (PDB). We present a solution to identify these problems in three distinct yet related aspects: (1) coordination chemist

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41

Wang, Li-Qiong, Christopher L. Aardahl, Kenneth G. Rappé, Diana N. Tran, Marisol A. Delgado, and Craig F. Habeger. "Solid-state 27Al Nuclear Magnetic Resonance Investigation of Plasma-facilitated NOx Reduction Catalysts." Journal of Materials Research 17, no. 7 (2002): 1843–48. http://dx.doi.org/10.1557/jmr.2002.0272.

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Aluminum coordination distribution for alumina catalysts supported on mesoporous silica was examined. It was shown that aluminum coordination correlates to activity of the catalysts for plasma-enhanced, selective catalytic reduction of NOx with propene. Catalysts were prepared by incorporating aluminum onto the surface of a mesoporous silica support via three different post-synthesis routes to produce varying aluminum coordination. Aluminum trichloride, sodium aluminate, and aluminum isopropoxide precursors were examined. High-resolution, solid state 27Al nuclear magnetic resonance was used to

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42

Ding, Junyang, Wenxian Liu, Shusheng Zhang, Jun Luo, and Xijun Liu. "A Mini Review: Recent Advances in Asymmetrically Coordinated Atom Sites for High-Efficiency Hydrogen Evolution Reaction." Energies 16, no. 6 (2023): 2664. http://dx.doi.org/10.3390/en16062664.

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Energy is the substance foundation of human society. Single−atom catalysts (SACs) have emerged as promising electrode materials in the energy field owing to their unique characteristics. It was demonstrated that the hydrogen evolution reaction (HER) performance of SACs relies on the metal−centric species and the corresponding local coordination engineering. Herein, the recent progress relating to asymmetric atomic catalysts for the HER is reviewed, including low coordination, heteroatomic coordination, and bimetallic coordination. In addition, the connection between the coordination structures

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43

Fernandez-Palacio, Francisco, Marco Saccone, Arri Priimagi, et al. "Coordination networks incorporating halogen-bond donor sites and azobenzene groups." CrystEngComm 18, no. 13 (2016): 2251–57. http://dx.doi.org/10.1039/c6ce00059b.

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44

Zhang, Kun, Gao-Peng Li, Vincent Montigaud, et al. "Tetranuclear dysprosium single-molecule magnets: tunable magnetic interactions and magnetization dynamics through modifying coordination number." Dalton Transactions 48, no. 6 (2019): 2135–41. http://dx.doi.org/10.1039/c8dt05004j.

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45

Kuwamura, Naoto, Yoshinari Kurioka, Nobuto Yoshinari, and Takumi Konno. "Heterogeneous catalytic water oxidation controlled by coordination geometries of copper(ii) centers with thiolato donors." Chemical Communications 54, no. 76 (2018): 10766–69. http://dx.doi.org/10.1039/c8cc06238b.

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Heterometallic coordination compounds containing a thiolato dicopper(ii) core increase heterogeneous electrocatalytic activities for water oxidation in proportion to the numbers of vacant dicopper(ii) coordination sites.

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46

Yoshimura, Takashi, Kojiro Nagata, Tatsuki Shiroyama, et al. "A luminescent dicyanidonitridotechnetium(v) core with tridentate ligand coordination sites." Dalton Transactions 47, no. 45 (2018): 16027–30. http://dx.doi.org/10.1039/c8dt02935k.

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47

La Gatta, Salvatore, Linda Leone, Ornella Maglio, et al. "Unravelling the Structure of the Tetrahedral Metal-Binding Site in METP3 through an Experimental and Computational Approach." Molecules 26, no. 17 (2021): 5221. http://dx.doi.org/10.3390/molecules26175221.

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Understanding the structural determinants for metal ion coordination in metalloproteins is a fundamental issue for designing metal binding sites with predetermined geometry and activity. In order to achieve this, we report in this paper the design, synthesis and metal binding properties of METP3, a homodimer made up of a small peptide, which self assembles in the presence of tetrahedrally coordinating metal ions. METP3 was obtained through a redesign approach, starting from the previously developed METP molecule. The undecapeptide sequence of METP, which dimerizes to house a Cys4 tetrahedral b

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48

Hosoya, Kazumasa, Ryo Sekiya та Shin-ichi Nishikiori. "A Hofmann pyridine complex: poly[tetra-μ-cyano-dipyridinemanganese(II)nickel(II)]". Acta Crystallographica Section E Structure Reports Online 62, № 7 (2006): m1627—m1629. http://dx.doi.org/10.1107/s1600536806022057.

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The title compound, [MnNi(CN)4(C5H5N)2], has a layered structure of a two-dimensional network complex Mn(py)2Ni(CN)4, in which linkages of cyanide between the equatorial coordination sites of octahedral MnII ions (site symmetry 2/m) and those of square planar NiII ions (site symmetry 2/m) form a square mesh network. Pyridine ligands (located on mirror planes) coordinate to the axial sites of the MnII ions from both sides of the network.

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49

Lamberts, Kevin, and Ulli Englert. "Crystal structures of coordination polymers from CaI2and proline." Acta Crystallographica Section E Crystallographic Communications 71, no. 6 (2015): 675–80. http://dx.doi.org/10.1107/s2056989015009597.

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Completing our reports concerning the reaction products from calcium halides and the amino acid proline, two different solids were found for the reaction of L- and DL-proline with CaI2. The enantiopure amino acid yields the one-dimensional coordination polymercatena-poly[[aqua-μ3-L-proline-tetra-μ2-L-proline-dicalcium] tetraiodide 1.7-hydrate], {[Ca2(C5H9NO2)5(H2O)]I4·1.7H2O}n, (1), with two independent Ca2+cations in characteristic seven- and eightfold coordination. Five symmetry-independent zwitterionic L-proline molecules bridge the metal sites into a cationic polymer. Racemic proline forms

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50

Snelgrove, Matthew P., and Michaele J. Hardie. "Coordination polymers with embedded recognition sites: lessons from cyclotriveratrylene-type ligands." CrystEngComm 23, no. 23 (2021): 4087–102. http://dx.doi.org/10.1039/d1ce00471a.

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Coordination polymers with molecular recognition sites are assembled using cyclotriveratrylene ligands. Many show differential guest-spaces with host and lattice sites available, however common host–guest and self-inclusion motifs can block sites.

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