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Journal articles on the topic 'Coordination Sites'

Author: Grafiati

Published: 7 September 2023

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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 (May 14, 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, Y. Sun, A. Neuba, M. Gerhards, and W. R. Thiel. "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 (March 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 being only half-occupied; there are two distinct Cu sites with octahedral and square pyramidal coordination respectively. The coordination polyhedra share elements to form prominent columns or rods of polyhedra parallel to the c-axis and centred on the 4-fold axes of the unit cell. These rods form a body-centred array, and link by sharing elements of their coordination polyhedra.

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6

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

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7

Balić-Žunić, Tonči. "The crystal structure of the new mineral dyrnaesite-(La),Na8CeIVREE2(PO4)6." Mineralogical Magazine 81, no. 1 (February 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 = 1/2 cv. The distinct Ce4+ site in dyrnaesite-(La) has smaller coordination with shorter bond lengths than the other REE site in the same structure or the REE sites in vitusite-(Ce). It is adjacent to the predominately vacant Na site, which in its turn has the largest coordination of all Na sites in the structure. REE sites, or Na sites in a [010] row (similar to [100] in vitusite(Ce)) assume two types of coordinations with and without mirror symmetry and two different configurations of surrounding PO4 tetrahedra. This summarizes the topological difference to vitusite-(Ce) where the corresponding coordinations are similar in the same row and intermediate in character to the two types in dyrnaesite-(La).

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8

Kökçam-Demir, Ülkü, Anna Goldman, Leili Esrafili, Maniya Gharib, Ali Morsali, Oliver Weingart, and Christoph Janiak. "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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9

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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10

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 (May 11, 2009): 4985–89. http://dx.doi.org/10.1002/chem.200802730.

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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, Maureen Damitz, Marielena Lara, Carol Mansfield, Adriana Matiz, et al. "Community-Based Care Coordination." Health Promotion Practice 12, no. 6_suppl_1 (November 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 workers (CHWs) to provide care coordination, whereas one site used five school-based asthma nurses. This school-based site had the highest caseload (82.5 per year), but program duration was 3 months with 4 calls or visits. Other sites averaged fewer cases (35 to 61 per CHW per year), but families received more (7 to 17) calls or visits over a year. Retention was 43% to 93% at 6 months and 24% to 75% at 12 months. Pre–post cross-site data document changes in asthma management behaviors and outcomes. After program participation, 93% to 100% of caregivers had confidence in controlling their child’s asthma, 85% to 92% had taken steps to reduce triggers, 69% to 100% had obtained an asthma action plan, and 46% to 100% of those with moderate to severe asthma reported appropriate use of controller medication. Emergency department visits for asthma decreased by 36% to 63%, and asthma-related hospitalizations declined by 26% to 78%. More than three fourths had fewer school absences. In conclusion, MCAN community-based care coordination programs improved management behaviors and decreased morbidity across all sites.

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13

Huang, Shu-yuan, Jin-yuan Li, Jian-qiang Li, Wen-yuan Xu, Ming-biao Luo, Yan Zhu, and Feng Luo. "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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14

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

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15

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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16

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

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17

Franzosa, Emily, Morgan Traylor, Vivian Guerrero Aquino, Kimberly Judon, Ashley Schwartzkopf, Brian Dixon, and Kenneth Boockvar. "Care Team Members’ Perceptions of an Informatics Intervention to Improve Geriatric Care Across Multiple sites." Innovation in Aging 4, Supplement_1 (December 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 the Consolidated Framework for Implementation Research (CFIR) to examine 1) goals and expectations for notifications and transitional care; 2) barriers to effective use of notifications and coordination; and 3) suggestions for improvement. Overall, care team members were positive about the intervention, noting it cut down on time searching for outside medical records and that care coordination visits were helpful in answering patients’ questions and clarifying discharge instructions. However, some providers were not aware of the alerts, found the HIE interface challenging to use, or were concerned that expanding the program would create workflow issues. Suggestions for improvements included sharing information about newly prescribed medications, lab and radiological tests, and progress alerts during the episode of care; and including non-VA providers to facilitate care coordination. Social workers also asked to be included on alerts to improve follow-up. Our findings suggest HIE can be a useful tool for coordinating care across sites, provided information can be easily shared between all care team members and HIE interfaces are streamlined to reduce additional work.

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18

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 (March 15, 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 interactions between bound metal ions (Ca2+ and several trivalent lanthanide ions) and the carboxylate groups in CaM’s EF-hand ion-coordinating sites. Since Tb3+ is commonly used as a luminescent Ca2+ analog in studies of protein−ion binding, it is important to characterize distinctions between the coordination of Ca2+ and the lanthanides in CaM. Although functional assays indicate that Tb3+ fully activates many Ca2+-dependent proteins, our FTIR spectra indicate that Tb3+, La3+, and Lu3+ disrupt the bidentate coordination geometry characteristic of the CaM binding sites’ strongly conserved position 12 glutamate residue. The 2D IR spectra indicate that, relative to the Ca2+-bound form, lanthanide-bound CaM exhibits greater conformational flexibility and larger structural fluctuations within its binding sites. Time-dependent 2D IR lineshapes indicate that binding sites in Ca2+−CaM occupy well-defined configurations, whereas binding sites in lanthanide-bound-CaM are more disordered. Overall, the results show that binding to lanthanide ions significantly alters the conformation and dynamics of CaM’s binding sites.

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19

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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20

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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21

Li, Min, Minmin Wang, Dongyuan Liu, Yuan Pan, Shoujie Liu, Kaian Sun, Yanju Chen, 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

Kitagawa, S., and S. Furukawa. "Porous coordination polymers having guest-accessible functional organic sites." Acta Crystallographica Section A Foundations of Crystallography 64, a1 (August 23, 2008): C104. http://dx.doi.org/10.1107/s0108767308096682.

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23

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 (January 28, 2014): 1207–15. http://dx.doi.org/10.1021/jp408689x.

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24

Lu, Bingzhang, Qiming Liu, and Shaowei Chen. "Electrocatalysis of Single-Atom Sites: Impacts of Atomic Coordination." ACS Catalysis 10, no. 14 (June 11, 2020): 7584–618. http://dx.doi.org/10.1021/acscatal.0c01950.

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25

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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26

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 (June 1993): 4449–56. http://dx.doi.org/10.1021/ja00064a005.

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27

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

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28

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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29

Boniecki, Michal T., and Susan A. Martinis. "Coordination of tRNA Synthetase Active Sites for Chemical Fidelity." Journal of Biological Chemistry 287, no. 14 (February 13, 2012): 11285–89. http://dx.doi.org/10.1074/jbc.c111.325795.

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30

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 (August 1989): 224. http://dx.doi.org/10.1016/0162-0134(89)84229-1.

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31

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 (January 1996): 3706–8. http://dx.doi.org/10.1021/ic951305v.

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32

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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33

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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34

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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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 (March 10, 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 synthesizing structure-diverse metallacages. Our results provide a typical example and a general method for the design and synthesis of metallacages.

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36

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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37

Fernandez-Palacio, Francisco, Marco Saccone, Arri Priimagi, Giancarlo Terraneo, Tullio Pilati, Pierangelo Metrangolo, and Giuseppe Resnati. "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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38

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 (March 12, 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 and the presented electrocatalytic performance was discussed. The main challenges that need to be addressed for the asymmetric atomic catalysts in the HER are summarized. Finally, some insights into the development of high−quality asymmetric atomic catalysts are included.

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39

Yoshimura, Takashi, Kojiro Nagata, Tatsuki Shiroyama, Yasushi Kino, Tsutomu Takayama, Tsutomu Sekine, and Atsushi Shinohara. "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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40

Lamberts, Kevin, and Ulli Englert. "Crystal structures of coordination polymers from CaI2and proline." Acta Crystallographica Section E Crystallographic Communications 71, no. 6 (May 23, 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 with Ca2+cations heterochiral chains of the one-dimensional polymercatena-poly[[diaquadi-μ2-DL-proline-calcium] diiodide], {[Ca(C5H9NO2)2(H2O)2]I2}n, (2). The centrosymmetric structure is built by one Ca2+cation that is bridged towards its symmetry equivalents by two zwitterionic proline molecules. In both structures, the iodide ions remain non-coordinating and hydrogen bonds are formed between these counter-anions, the amino groups, coordinating and co-crystallized water molecules. While the overall composition of (1) and (2) is in line with other structures from calcium halides and amino acids, the diversity of the carboxylate coordination geometry is quite surprising.

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41

Zheng, Heping, Mahendra Chordia, David Cooper, Ivan Shabalin, Maksymilian Chruszcz, Peter Müller, George Sheldrick, and Wladek Minor. "Check your metal - not every density blob is a water molecule." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 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 chemistry; (2) agreement of experimental B-factors and occupancy; and (3) the composition and motif of the metal binding environment. Due to additional strain introduced by macromolecular backbones, the patterns of coordination of metal binding sites in metal-containing macromolecules are more complex and diverse than those found in inorganic or organometallic chemistry. These complications make a comprehensive library of "permitted" coordination chemistry in protein structures less feasible, and the usage of global parameters such as the bond valence method more practical, in the determination and validation of metal binding environments. Although they are relatively infrequent, there are also cases where the experimental B-factor or occupancy of a metal ion suggests careful examination. We have developed a web-based tool called CheckMyMetal [1](http://csgid.org/csgid/metal_sites/) for the quick validation of metal binding sites. Moreover, the acquired knowledge of the composition and spatial arrangement (motif) of the coordinating atoms around the metal ion may also help in the modeling of metal binding sites in macromolecular structures. All of the studies described herein were performed using the NEIGHBORHOOD SQL database [2], which connects information about all modeled non-solvent heterogeneous chemical motifs in PDB structure by vectors describing all contacts to neighboring residues and atoms. NEIGHBORHOOD has broad applications for the validation and data mining of ligand binding environments in the PDB.

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42

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 (July 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 determine aluminum coordination distributions for the resulting catalysts. Unsaturated aluminum sites (i.e., structural defects) correlated with increased activity at high temperatures while tetrahedrally-coordinated aluminum or BrØnsted acid sites correlated with activity at low temperatures.

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43

Liu, Bo, Hui-Fang Zhou, Lei Hou, Jian-Ping Wang, Yao-Yu Wang, and Zhonghua Zhu. "Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands." Inorganic Chemistry 55, no. 17 (August 11, 2016): 8871–80. http://dx.doi.org/10.1021/acs.inorgchem.6b01416.

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44

Drenchеv, Nikola, Oleg Lagunov, and Konstantin Hadjiivanov. "Coordination chemistry of Ca2+ sites in CaX zeolite: FTIR evidence of three coordination vacancies per cation." Microporous and Mesoporous Materials 362 (December 2023): 112768. http://dx.doi.org/10.1016/j.micromeso.2023.112768.

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45

Ma, Lu-Fang, Zhen-Zhen Shi, Fei-Fei Li, Jian Zhang, and Li-Ya Wang. "Coordination polymers with free Brønsted acid sites for selective catalysis." New Journal of Chemistry 39, no. 2 (2015): 810–12. http://dx.doi.org/10.1039/c4nj01898b.

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46

La Gatta, Salvatore, Linda Leone, Ornella Maglio, Maria De Fenza, Flavia Nastri, Vincenzo Pavone, Marco Chino, and Angela Lombardi. "Unravelling the Structure of the Tetrahedral Metal-Binding Site in METP3 through an Experimental and Computational Approach." Molecules 26, no. 17 (August 28, 2021): 5221. http://dx.doi.org/10.3390/molecules26175221.

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Abstract:

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 binding site, was redesigned in order to accommodate a Cys2His2 site. The binding properties of METP3 were determined toward different metal ions. Successful assembly of METP3 with Co(II), Zn(II) and Cd(II), in the expected 2:1 stoichiometry and tetrahedral geometry was proven by UV-visible spectroscopy. CD measurements on both the free and metal-bound forms revealed that the metal coordination drives the peptide chain to fold into a turned conformation. Finally, NMR data of the Zn(II)-METP3 complex, together with a retrostructural analysis of the Cys-X-X-His motif in metalloproteins, allowed us to define the model structure. All the results establish the suitability of the short METP sequence for accommodating tetrahedral metal binding sites, regardless of the first coordination ligands.

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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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Abstract:

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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Kim, Jeongryul, Dowook Ryu, Yoshihisa Sei, Kentaro Yamaguchi, and Kyo Han Ahn. "Tripodal oxazoline-based homochiral coordination cages with internal binding sites." Chemical Communications, no. 10 (2006): 1136. http://dx.doi.org/10.1039/b514697f.

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Kosa, Monica, Matthias Krack, Anthony K. Cheetham, and Michele Parrinello. "Modeling the Hydrogen Storage Materials with Exposed M2+ Coordination Sites." Journal of Physical Chemistry C 112, no. 42 (October 2008): 16171–73. http://dx.doi.org/10.1021/jp806394g.

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Tjörnhammar, Richard, and Olle Edholm. "Molecular dynamics simulations of Zn2+ coordination in protein binding sites." Journal of Chemical Physics 132, no. 20 (May 28, 2010): 205101. http://dx.doi.org/10.1063/1.3428381.

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