Crystal Structure and Hirshfeld Surface Analysis of Bis(3-thienoyl) Disulfide

The spectroscopic characterization (¹H, ¹³C{¹H} NMR, UV–Vis) and single-crystal X-ray diffraction (scXRD) analysis accomplished by inspection of the Hirshfeld surface of bis(3-thienoyl) disulfide (1) is described. The title compound 1 crystallizes in the monoclinic space group P2₁/n. The unit cell parameters are a?=?7.9959(3) Å, b?=?6.4348(3) Å, c?=?22.4924(9) Å, β?=?100.108(4)°, V?=?1139.32(8) ų, Z?=?4, R_gt(F)?=?0.0278, wR_ref(F²)?=?0.0667. The packing of 1 is dominated by S?O and S?S interactions, giving a 2D layer structure parallel to (101). The X‐ray crystal structure analysis revealed the packing of 1 is dominated by S?O and S?S interactions, giving a 2D layer structure parallel to (101). The intermolecular interactions in 1 were analyzed using the Hirshfeld surface method including 2D fingerprint plots and enrichment ratios (E), which shows that the most favored intermolecular contacts are the O?H and C?S indicated by E values above 1.30. The interaction energies between molecular pairs revealed the importance of the weak O?H and C?S interactions in stabilizing the molecular structure of 1.

Graphic Abstract

Single crystal X-ray structure analysis, DFT calculations and Hirshfeld surface analysis to identify intermolecular interactions within the solid state structure of bis(3-thienoyl) disulfide (1).

     

Stereoselective synthesis of helical dihydrodipyrrolophenanthroline and hindrance hexa tert‐butyl carboxylatodipyrrolophenanthroline from reaction between 1,10‐phenanthroline and dialkyl acetylenedicarboxylates

High hindrance Hexa tert‐butoxy carbonyl dipyrrolophenanthroline and helical dihydropyrrolophen‐anthroline compounds were prepared from reactions between di tert‐butyl acetylenedicarboxylate and 1,10‐phenanthroline in polar solvents media.     

Large-Signal Performance of the Serially Cascaded Electroabsorption Modulator

Large signal analysis of the serially cascaded electroabsorption modulator driven by a multisinusoidal RF signal is presented. The special case of a two-tone equal-amplitude RF signal is considered in detail, and the results are compared with previously published results.     

Large Signal Analysis of Multiquantum Well Electroabsorption Modulators

Large signal analysis of the multiple-quantum-well electroabsorption modulators driven by a mutisinusoidal RF signal is presented. The special case of a two-tone equal-amplitude RF signal is considered in detail and the results are compared with previously published results.     

Compound A Increases Cell Infiltration in Target Organs of Acute Graft-versus-Host Disease (aGVHD) in a Mouse Model

Systemic steroids are used to treat acute graft-versus-host disease (aGVHD) caused by allogenic bone marrow transplantation (allo-BMT); however, their prolonged use results in complications. Hence, new agents for treating aGVHD are required. Recently, a new compound A (CpdA), with anti-inflammatory activity and reduced side effects compared to steroids, has been identified. Here, we aimed to determine whether CpdA can improve the outcome of aGVHD when administered after transplantation in a mouse model (C57BL/6 in B6D2F1). After conditioning with 9Gy total body irradiation, mice were infused with bone marrow (BM) cells and splenocytes from either syngeneic (B6D2F1) or allogeneic (C57BL/6) donors. The animals were subsequently treated (3 days/week) with 7.5 mg/kg CpdA from day +15 to day +28; the controls received 0.9% NaCl. Thereafter, the incidence and severity of aGVHD in aGVHD target organs were analyzed. Survival and clinical scores did not differ significantly; however, CpdA-treated animals showed high cell infiltration in the target organs. In bulk mixed lymphocyte reactions, CpdA treatment reduced the cell proliferation and expression of inflammatory cytokines and chemokines compared to controls, whereas levels of TNF, IL-23, chemokines, and chemokine receptors increased. CpdA significantly reduced proliferation in vitro but increased T cell infiltration in target organs.     

Preconcentration of trace nickel with the ion pair of disodium 1-nitroso-2-naphthol-3,6-disulfonate and tetradecyldimethylbenzylammonium chloride on microcrystalline naphthalene or by the column method and determination by third derivative spectrophotometry

Nickel is quantitatively retained by disodium 1-nitroso-2-naphthol-3,6-disulfonate (nitroso-R salt) and tetradecyldimethylbenzylammonium chloride (TDBA(+)Cl(-)) on microcrystalline naphthalene in the pH range 5.4-12.1 from large volumes of aqueous solutions of various alloys and biological samples. After filtration, the solid mass consisting of the nickel complex and naphthalene was dissolved with 5 ml of dimethylformamide (DMF) and the metal was determined by third derivative spectrophotometry. Nickel complex can alternatively be quantitatively adsorbed on tetradecyldimethylbenzylammonium-naphthalene adsorbent packed in a column and determined similarly. The detection limit is 10 ppb (signal to noise ratio 2) and the calibration curve is linear from 30 to 5.4x10(3) ppb in dimethylformamide solution with a correlation coefficient of 0.9997 by measuring the distance d(3)A/dlambda(3) between lambda(1) (537 nm) and lambda(2) (507 nm). Eight replicated determinations of 2.5 mug of nickel in 5 ml of dimethylformamide solution gave a mean intensity (peak-to-peak signal between lambda(1) and lambda(2)) of 0.339 with a relative standard deviation of +/-0.87%. The sensitivity of the method is 0.677 ml/mug found from the slope (d(3)A/dnm(3)) of the calibration curve. Various parameters such as the effect of pH, volume of aqueous phase and interference of a number of metal ions on the determination of nickel has been studied in detail to optimize the conditions for nickel determination in various alloys and biological samples.     

Polymer‐supported palladium: A hybrid system for multifunctional catalytic application

Polymer‐supported palladium was synthesized by applying a single‐step wet chemical synthesis route and the resultant composite material was characterized by means of various techniques. Infrared and UV–visible spectra provided information on the chemical structure of the polymer. Microscopy techniques showed the general morphology of the polymer. The oxidation state of palladium was determined using the X‐ray photoelectron spectroscopy method. The synthesized material was applied as a heterogeneous catalyst for the Heck coupling reaction and also as an electrocatalyst for the oxidation of cysteine.     

Synthesis of 3-aminoisoxazolmethylnaphthols via one-pot three-component reaction under solvent-free conditions

A one-pot three-component condensation reaction of 3-amino-5-methylisoxazole, aryl aldehyde and 2-naphthol to afford the corresponding 3-amino isoxazolmethylnaphthols in good to excellent yields. The remarkable features of this new procedure are high conversions, clean reaction condition, short reaction time, nonhazardous and environmentally friendly reaction condition, inexpensive and easily commercially availability of the catalyst and simple work-up procedures.