Inframolecular acid–base and coordination properties towards Na+ and Mg2+ of myo-inositol 1,3,4,5,6-pentakisphosphate: a structural approach to biologically relevant species† †Electronic supplementary information (ESI) available: Application of the Cluster Expansion Method (Table S1); 31P NMR spectra (Fig. S1); Structural details of Ins(1,3,4,5,6)P 5–Mg2+ interaction (Fig. S2); Comparative fit of alternative chemical models for the Ins(1,3,4,5,6)P 5–Na+ system (Fig. S3). See DOI: 10.1039/c2dt31807e Click here for additional data file.

Inframolecular acid – base and coordination properties towards Na + and Mg 2 + of myo - inositol 1 , 3 , 4 , 5 , 6 - pentakisphosphate : a structural approach to biologically relevant species †

The myo-inositol phosphates (InsPs) are specific signalling metabolites ubiquitous in eukaryotic cells. Although Ins(1,3,4,5,6)P5 is the second most abundant member of the InsPs family, its certain biological roles are far from being elucidated, in part due to the large number of species formed by Ins(1,3,4,5,6)P5 in the presence of metal ions. In light of this, we have strived in the past to m...

Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution† †Electronic supplementary information (ESI) available: Tables containing crystallographic data and structure refinements for Na[V(L)2]·2H2O(cr) (CCDC 1413557) (Table S1) and Na[VO2(HL)](cr) (CCDC 1418830) (Table S2), concentrations of the solution samples for NMR (Table S3), 13C NMR spectra of V(v)/glutaroimide-dioxime complexes in H2 17O (Fig. S1), ESI-MS spectra of V(v)/glutaroimide-dioxime complexes in 17O-enriched H2O diluted and sprayed in methanol (Fig. S2), and EPR spectra of Na[V(L)2]·2H2O(s) at 4 K and 300 K (Fig. S3). CCDC 1413557–1418830. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc03958d Click here for additional data file. Click here for additional data file.

1Chemical Sciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720, USA 2Department of Chemistry, University of California – Berkeley, Berkeley, CA 94720, USA 3Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720, USA 4National Security Directorate, Pacific Northwest National Laboratory, 902 Battelle Blvd., Rich...

Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion† †Electronic supplementary information (ESI) available: Preparation and physical characterization data of 1P and 2M, additional structural description, UV-Vis and CD spectra (Fig. S1–S7), crystallographic refinement details for 1P and 2M (Table S1), selected bond distances and angles for 1P and 2M (Tables S2–S5), ESI(+)-MS and ESI(+)-MSMS spectra (Fig. S8–S11 and Schemes S1 and S2) and PXRD (Fig. S12). CCDC 1046609 and 1046610. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc01089f Click here for additional data file. Click here for additional data file.

Very bright mechanoluminescence and remarkable mechanochromism using a tetraphenylethene derivative with aggregation-induced emission† †Electronic supplementary information (ESI) available: Details of the synthesis; structural information for the compound (NMR, IR, and mass spectra); Tables S1–S5; Fig. S1–S11. CCDC 1037840 and 1057432. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc00466g Click here for additional data file. Click here for additional data file. Click here for additional data file. Click here for additional data file.

PCFM Lab, GD HPPC Lab, Guangdong Eng High-performance Organic and Polymer P Laboratory of Opto-electronic Material and Chemical Engineering, Sun Yet-sen Univers [email protected]; [email protected] 20 84112222; Tel: +86 20 84112712 State Key Laboratory of Optoelectronic Mat and Engineering, Sun Yat-sen University, Gu Shenzhen China Star Optoelectronics Techn TCL Corporate Research, Guangdon...

Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2 O,O′-Fe† †Electronic supplementary information (ESI) available: Characterization data for 3 and 5. CCDC 1492006 and 1492007. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc03450k Click here for additional data file. Click here for additional data file.

Experimental Section Figure S1. 1H NMR spectrum of {Na(12-C-4)2}{(PNP)Ni-η-COO-κC} (3). Figure S2. 13C NMR spectrum of {Na(12-C-4)2}{(PNP)Ni-η-COO-κC} (3). Figure S3. 31P NMR spectrum of {Na(12-C-4)2}{(PNP)Ni-η-COO-κC} (3). Figure S4. 1H NMR spectrum of (PNP)Ni-μ-CO2-κC:κO,O’-Fe(PNP) (5). Figure S5. Solid-state structure of 3. Table S1. Selected bond distances and angles for 3. Figure S6. Solid...