Developing Eco-Friendly and Cost-Effective Porous Adsorbent for Carbon Dioxide Capture

To address the issue of global warming and climate change issues, recent research efforts have highlighted opportunities for capturing and electrochemically converting carbon dioxide (CO₂). Despite metal doped polymers receiving widespread attention in this respect, the structures hitherto reported lack in ease of synthesis with scale up feasibility. In this study, a series of mesoporous metal-doped polymers (MRFs) with tunable metal functionality and hierarchical porosity were successfully synthesized using a one-step copolymerization of resorcinol and formaldehyde with Polyethyleneimine (PEI) under solvothermal conditions. The effect of PEI and metal doping concentrations were observed on physical properties and adsorption results. The results confirmed the role of PEI on the mesoporosity of the polymer networks and high surface area in addition to enhanced CO₂ capture capacity. The resulting Cobalt doped material shows excellent thermal stability and promising CO₂ capture performance, with equilibrium adsorption of 2.3 mmol CO₂/g at 0 °C and 1 bar for at a surface area 675.62 m²/g. This mesoporous polymer, with its ease of synthesis is a promising candidate for promising for CO₂ capture and possible subsequent electrochemical conversion.     

Facile Synthesis of Phosphaamidines and Phosphaamidinates using Nitrilium Ions as an Imine Synthon

Readily accessible nitrilium triflates are convenient imine building blocks for the expedient synthesis of a novel class of 1,3‐P,N ligands as demonstrated for the reaction with primary phosphanes. This procedure allows variation of all substituents. X‐ray crystal structures are reported for nitrilium ions, phosphaamidines, and three phosphaamidinate complexes. The lithium phosphaamidinate is N coordinated and its reaction with [AuCl(tht)] (tht=tetrahydrothiophene) gives a unique P‐bridged gold trimer, while a P,N‐bidentate complex results from [{RhCl(cod)}₂]. The nitrilium ion methodology allows extension of the 1,3‐P,N motive to bis(imino)phosphanes, which are the neutral phosphorus analogues of the valuable β‐diketiminate ligand.     

Density functionals with asymptotic-potential corrections are required for the simulation of spectroscopic properties of materials

Five effects of correction of the asymptotic potential error in density functionals are identified that significantly improve calculated properties of molecular excited states involving charge-transfer character. Newly developed materials-science computational methods are used to demonstrate how these effects manifest in materials spectroscopy. Connection is made considering chlorophyll-a as a paradigm for molecular spectroscopy, 22 iconic materials as paradigms for 3D materials spectroscopy, and the V_N⁻ defect in hexagonal boron nitride as an example of the spectroscopy of defects in 2D materials pertaining to nanophotonics. Defects can equally be thought of as being “molecular” and “materials” in nature and hence bridge the relms of molecular and materials spectroscopies. It is concluded that the density functional HSE06, currently considered as the standard for accurate calculations of materials spectroscopy, should be replaced, in most instances, by the computationally similar but asymptotically corrected CAM-B3LYP functional, with some specific functionals for materials-use only providing further improvements.

Spectroscopic transitions in materials that involve charge transfer require asymptotically corrected density functionals. As most transitions do have some charge transfer character, use of such methods are generally warranted.     

Syntheses of (-)-oleocanthal, a natural NSAID found in extra virgin olive oil, the (-)-deacetoxy-oleuropein aglycone, and related analogues

Phenolic compounds extracted from extra virgin olive oil have attracted considerable recent attention. One of the components, (-)-oleocanthal (1), an inhibitor of the COX-1 and COX-2 enzymes, possesses similar potency as the NSAID ibuprofen. In this, a full account, we disclose the first- and now second-generation syntheses of both enantiomers of the oleocanthals, as well as the first synthesis of the closely related (-)-deacetoxy-oleuropein aglycone and a series of related analogues for structure activity studies. To demonstrate the utility of the second-generation synthesis, multigram quantities of (-)-oleocanthal were prepared in 10 steps (14% overall yield) from commercially available D-lyxose.     

Spin-coupled wavefunctions

A method recently introduced for constructing spin-coupled wave-functions is extended to deal with the singlet and triplet states of four-electron systems. The approach is applied to LiH (¹Σ, ³Σ), Be (¹ S) and BeH⁺ (¹Σ) using a simple one-configuration model, in which the orbitals are expressed in elliptical coordinates.     

Peptide-small molecule hybrids via orthogonal deprotection-chemoselective conjugation to cysteine-anchored scaffolds. A model study

The feasibility of an orthogonal deprotection-conjugation protocol, holding the promise of libraries of functionally diverse chemical probes attached to cysteine-anchored peptide scaffolds, has been explored with a model system. The necessary tools for assembly of the hybrid libraries have been prepared and the tandem procedure optimized. S-alkylation and S-sulfenylation are featured as the chemoselective ligation reactions. [reaction: see text]     

Search for the scalar top quark in pp collisions at square root[s] = 1.8 TeV

We have performed a search for scalar top quark (stop) pair production in the inclusive electron-muon-missing transverse energy final state, using a sample of pp events corresponding to 108.3 pb(-1) of data collected with the D0 detector at Fermilab. The search is done in the framework of the minimal supersymmetric standard model assuming that the sneutrino is the lightest supersymmetric particle. For the dominant decays of the lightest stop, t-->b chi+1 and t-->blnu, no evidence for signal is found. We derive cross-section limits as a function of stop ( t ), chargino ( chi+1), and sneutrino ( nu) masses.     

The use of thin-layer chromatography in the analysis of lubricating oils

Summary A report is given on the application of thin-layer chromatography to the analysis of additives in lubricating oils. The separation and identification of antioxidants, phenates, sulphonates, zinc dialkyl dithiophosphates and polymeric additives is described. A measurement of additive depletion in used oils is possible by comparison of corresponding chromatograms.

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Zusammenfassung Es wird über die Verwendung der Dünnschicht-Chromatographie bei der Analyse der Additive von Schmierölen berichtet. Die Abtrennung und Identifizierung von Antioxydantien, Phenolaten, Sulfonaten, Zinkdialkyldithiophosphaten und polymeren Additiven wird beschrieben. Eine Messung der Abnahme der Additivkonzentration in gebrauchten Ölen ist durch Vergleich entsprechender Chromatogramme möglich.

     

Comparison of small-angle p and pp elastic scattering at 52.8 GeV center-of-mass energy at the CERN intersecting storage rings

Proton-antiproton and proton-proton elastic scattering have been measured in the four-momentum transfer range 0.001|t|0.06 GeV² for center-of-mass energy 52.8 GeV at the CERN Intersecting Storage Rings (ISR). Using the known pp total cross section, a simultaneous fit to the p and pp differential cross sections yields the p total cross section; in addition, we obtain the ratio of the real-to-imaginary part of the forward nuclear-scattering amplitude and the nuclear-slope parameter for both p and pp. Our results show conclusively that the p total cross section is rising at ISR energies and lend support to conventional theories in which the difference between the p and pp total cross section vanishes at very high energy.     

X-ray structure of trichloro-oxo-(N-pyridylmethylene-N′-salicyloylhydrazine-NO)molybdenum(V) · acetonitrile (1/1). An example of isomerization by complexation

Summary The synthesis, i.r. spectrum and x-ray crystal structure of the title, complex are described, Crystals are monoclinic space groupP 2₁/n, witha = 19.901(7),b = 13.163(8),c = 7.273(6) A, = 90.58(5)° Z = 4, The structure was solved from diffractometer data by direct methods and refined by least-squares techniques toR = 0.053 for 923 independent reflections. The complex has a distortedmer-octahedral geometry [Mo-O = 1,70(1), 2.15(1), Mo-Cl = 2.340(7), 1.352(7), 2.280(7), Mo-N = 2.19(2) A], The starting ligand Hsip, which is in theE configuration when free and in a number of metal complexes where it is terdentate, assumes here theZ configuration and is hiclentate.