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Orthogonal halogen and hydrogen bonds involving a peptide bond model†Electronic supplementary information (ESI) available: Experimental part, DSC, IR spectroscopic and crystallographic data. CCDC 899779-899785. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4ce01514bClick here for additional data file.Click here for additional data file.

ABSTRACT: The peptide bond model N-methylacetamide self-assembles with a range of dihalotetrafluorobenzenes forming co-crystals that all show the occurrence of orthogonal hydrogen and halogen bonds.

SUBMITTER: Vasylyeva V

PROVIDER: S-EPMC4317971 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Mechanistic insights into hydroacylation with non-chelating aldehydes†Electronic supplementary information (ESI) available: Materials and methods, reaction procedures, characterization data. CCDC 1012849. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc02026jClick here for additional data file.

Project description:The combination of a small-bite-angle diphosphine bis(dicyclohexylphosphino)methane (dcpm) and [Rh(cod)OMe]2 catalyses the hydroacylation of 2-vinylphenols with a wide range of non-chelating aldehydes. Here we present a detailed experimental study that elucidates the factors contributing to the broad aldehyde scope and high reactivity. A variety of catalytically relevant intermediates were isolated and a [Rh(dcpm)(vinylphenolate)] complex was identified as the major catalytically relevant species. A variety of off-cycle intermediates were also identified that can re-enter the catalytic cycle by substrate- or 1,5-cyclooctadiene-mediated pathways. Saturation kinetics with respect to the 2-vinylphenol were observed, and this may contribute to the high selectivity for hydroacylation over aldehyde decarbonylation. A series of deuterium labelling experiments and Hammett studies support the oxidative addition of Rh to the aldehyde C-H bond as an irreversible and turnover-limiting step. The small bite angle of dcpm is crucial for lowering the barrier of this step and providing excellent reactivity with a variety of aldehydes.

| S-EPMC4285142 | biostudies-literature

Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework†Electronic supplementary information (ESI) available: Atomic coordinates and lattice parameter data. CCDC 1016797. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4ce01572jClick here for additional data file.

Project description:The metal-organic framework copper(i) tricyanomethanide, Cu(tcm), undergoes a ferroelastic transition on cooling below Tf = 240 K. Thermal expansion measurements reveal an order-of-magnitude variation in framework flexibility across Tf. The low-temperature phase α-Cu(tcm) exhibits colossal positive and negative thermal expansion that is the strongest ever reported for a framework material. On exposure to acetonitrile, Cu(tcm) undergoes a reconstructive solid-phase transition to acetonitrilocopper(i) tricyanomethanide. This transition can be reversed by heating under vacuum. Infrared spectroscopy measurements are sensitive to the phase change, suggesting that Cu(tcm) may find application in solid-phase acetonitrile sensing.

| S-EPMC4304274 | biostudies-literature

Modular chiral gold(i) phosphite complexes†Electronic supplementary information (ESI) available: Experimental results and NMR data. CCDC 933751 (L11(AuCl)), 933752 (L12(AuCl)a), 933753 (L9(AuCl)), 933754 (L10(AuCl)), 933756 (L8(AuCl)), 933757 (L12(AuCl)e). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c3cy00250kClick here for additional data file.Click here for additional data file.

Project description:Chiral gold(i) phosphite complexes are readily prepared modularly from 3,3'-bis(triphenylsilyl)-1,1'-bi-2-naphthol. These chiral gold(i) phosphite complexes are very reactive precatalysts for the [4+2] cycloaddition of aryl-substituted 1,6-enynes with enantiomeric ratios ranging from 86 : 14 up to 94 : 6.

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Membrane flow patterns in multicomponent giant vesicles induced by alternating electric fields†Electronic supplementary information (ESI) available: Vesicle preparation procedure, numerical calculations and confocal microscopy movies of domain motion. See DOI: 10.1039/b811876kClick here for additional data file.Click here for additional data file.Click here for additional data file.Click here for additional data file.Click here for additional data file.

Project description:Alternating electric (AC) fields induce circular patterns of lipid transport in membranes of giant vesicles. The flow is visualized by fluorescently labelled lipid domains.

| S-EPMC2898647 | biostudies-literature

Terminal dysprosium and holmium organoimides† † Electronic supplementary information (ESI) available. CCDC 2312212–2312226. For ESI and crystallographic data in CIF or other electronic format see DOI: https://doi.org/10.1039/d3sc06584g

Project description: Not available

| S-EPMC10915843 | biostudies-literature

Regulating luminescence thermal enhancement in negative thermal expansion metal–organic frameworks† † Electronic supplementary information (ESI) available: Experimental and additional characterization. CCDC 2246487–2246501. For ESI and crystallographic data in CIF or other electronic format see DOI: https://doi.org/10.1039/d3sc06710f

Project description: Not available

| S-EPMC10915847 | biostudies-literature

Focusing of mammalian cells under an ultrahigh pH gradient created by unidirectional electropulsation in a confined microchamber†Electronic supplementary information (ESI) available: Figures S1-S5 and videos S1-S2. See DOI: 10.1039/c4sc00319eClick here for additional data file.Click here for additional data file.Click here for additional data file.

Project description:The transport and manipulation of cells in microfluidic structures are often critically required in cellular analysis. Cells typically make consistent movement in a dc electric field in a single direction, due to their electrophoretic mobility or electroosmotic flow or the combination of the two. Here we demonstrate that mammalian cells focus to the middle of a closed microfluidic chamber under the application of unidirectional direct current pulses. With experimental and computational data, we show that under the pulses electrochemical reactions take place in the confined microscale space and create an ultrahigh and nonlinear pH gradient (∼2 orders of magnitude higher than the ones in protein isoelectric focusing) at the middle of the chamber. The varying local pH affects the cell surface charge and the electrophoretic mobility, leading to focusing in free solution. Our approach provides a new and simple method for focusing and concentrating mammalian cells at the microscale.

| S-EPMC4348711 | biostudies-literature

General acid-mediated aminolactone formation using unactivated alkenes† † Electronic supplementary information (ESI) available. CCDC 2222954. For ESI and crystallographic data in CIF or other electronic format see DOI: https://doi.org/10.1039/d3sc04073a

Project description: Not available

| S-EPMC10566462 | biostudies-literature

Nitrogen-to-functionalized carbon atom transmutation of pyridine† † Electronic supplementary information (ESI) available. CCDC 2334460. For ESI and crystallographic data in CIF or other electronic format see DOI: https://doi.org/10.1039/d4sc04413d

Project description: Not available

| S-EPMC11372446 | biostudies-literature

A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex† † Electronic supplementary information (ESI) available: Detailed synthetic procedures and additional characterization data. X-ray crystallographic data has been deposited. CCDC 2207616–2207618. For ESI and crystallographic data in CIF or other electronic format see DOI: https://doi.org/10.1039/d3sc00171g

Project description:A room temperature stable complex formulated as Y(NHAr*)2 has been prepared, where Ar* = 2,6-(2,4,6-(iPr)3C6H2)C6H3, by KC8 reduction of ClY(NHAr*)2. Based on EPR evidence, Y(NHAr*)2 is an example of a d1 Y(ii) complex with significant delocalization of the unpaired electron density from the metal to the ligand. The isolation of molecular divalent metal complexes is challenging for rare earth elements such as yttrium. In fact, stabilization of the divalent state requires judicious ligand design that allows the metal center to be coordinatively saturated. Divalent rare earth elements tend to be reactive towards various substrates. Interestingly, Y(NHAr*)2 reacts as a radical donor towards tBuNC to generate an unusual yttrium isocyanide complex, CNY(NHAr*)2, based on spectroscopic evidence and single-crystal X-ray diffraction data. A room temperature stable Y(ii)bis(amide) has been prepared and fully characterized. The complex reacts with tert-butylisocyanide to make a rare example of a transition metal isocyanide, CN–Y(NHAr*)2.

| S-EPMC10132164 | biostudies-literature

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