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Here, we report a facile route to the synthesizing of a new donor-acceptor complex, L3, using 4-{[(anthracen-9-yl)meth-yl] amino}-benzoic acid, L2, as donor moiety with anthraquinone as an acceptor moiety. The formation of donor-acceptor complex L3 was facilitated via H-bonding and characterized by single-crystal X-ray diffraction. The X-ray diffraction results confirmed the synthesized donor-acceptor complex L3 crystal belongs to the triclinic system possessing the P-1 space group. The complex L3 was also characterized by other spectral techniques, viz., FTIR and UV absorption spectroscopy, which confirmed the formation of new bonds between donor L2 moiety and acceptor anthraquinone molecule. The crystallinity and thermal stability of the newly synthesized complex L3 was confirmed by powdered XRD and TGA analysis and theoretical studies; Hirshfeld surface analysis was performed to define the type of interactions occurring in the complex L3. Interestingly, theoretical results were successfully corroborated with experimental results of FTIR and UV absorption. The density functional theory (DFT) calculations were employed for HOMO to LUMO; the energy gap (∆E) was calculated to be 3.6463 eV. The complex L3 was employed as a photocatalyst for the degradation of MB dye and was found to be quite efficient. The results showed MB dye degraded about 90% in 200 min and followed the pseudo-first-order kinetic with rate constant k = 0.0111 min and R = 0.9596. Additionally, molecular docking reveals that the lowest binding energy was -10.8 Kcal/mol which indicates that the L3 complex may be further studied for its biological applications.

BackgroundCalcium pyrophosphate dihydrate (CaPPD) deposition disease is a illness with a wide range of manifestations from acute gout-like episodic arthritis to an accentuated osteoarthritis picture. A common feature is the deposition of CaPPD crystals in tissues. Middle ear involvement is a rare manifestation of the disease, described in a few case reports.ObjectivesMiddle ear involvement is a rare manifestation of the disease, described in a few case reports.MethodsHistological examination of operating specimen.HRCT.Results71-year-old man, athlete (tennis, cycling) underwent a partial menisectomy in 2008 for acute knee blockade, in October 2022 he suffered polytrauma after a traffic injury. Het is treated for arterial hypertension. He has never had inflammatory arthritis, joint problems he had only in connection with sports injuries.Last 12 months he has observed a gradually progressing hearing loss, mild dizziness and tinnitus. HRCT of a scull base demonstrated a left-sided osteoma with fixation to the malleus. Tumor mass was removed by surgery. Histology proved calcium pyrophosphate dihydrate crystals in the operating material.We have not demonstrated hyperparathyroidism, hypomagnesemia, or any other primary disease associated with CaPPD deposition. During subsequent X-ray examination, we found the chondrocalcinosis of the menisci of both knees.ConclusionDeposits of calcium pyrophosphate in the middle ear region are a rare manifestation of the calcium pyrophosphate dihydrate deposition disease. Clinically, progressive hearing loss may occur, morphologically resemble osteoma and may not be associated with other clinical signs of the underlying disease.Reference[1]Serrano MG et al: J Royal Soc Med open 2020;11:1-4Acknowledgements:NIL.Disclosure of InterestsNone Declared.

Hailstone structures have been studied for over a century, but so far mainly by manual optical means. This paper presents new texture and microstructure data (i.e. crystal lattice orientations, grain sizes and shapes) measured with an Automatic Ice Texture Analyzer, which gives access to high spatial and angular resolutions. The hailstones show two main characteristics: (1) they are structured with several concentric layers composed of alternating fine equiaxed grains and coarse elongated and radially oriented grains, and (2) they show two texture types with c-axes oriented either parallel or perpendicular to the radial direction. Such textures are compared with the ones observed in lake S1 and S2 ices, respectively. The S1 texture type (with c-axes parallel to the columnar crystals that grew in the radial direction) may result from epitaxial growth from a polycrystalline embryo, while the S2 texture (c-axes in the plane perpendicular to the column direction) may result from the growth from an embryo made of a few crystals with mainly one crystallographic orientation. Our novel high-resolution maps and measurements of both microstructure and texture may help to shed new light on the long-term discussion on the growth mechanisms of large hailstones.

Observation of thin sections of the WAIS (West Antarctic Ice Sheet) Divide ice core in cross-polarized light reveals a wealth of microstructures and textural characteristics indicative of strain and recovery in an anisotropic crystalline substance undergoing high-temperature plastic deformation. The appearance of abundant subgrain domains—relatively strain-free regions inside crystals (grains) surrounded by walls of dislocations across which small structural orientation changes occur—is particularly noticeable in the depth range associated with the brittle ice (∼650–1300 m). Here we describe a subgrain texture, not previously reported in ice, that resembles chessboard-pattern subgrains in β-quartz. This chessboard texture at WAIS Divide is strongly associated with the presence of bubbles. We hypothesize that chessboard-subgrain development may affect grain-size evolution, the fracture of ice cores recovered from the brittle ice zone and perhaps grain-boundary sliding as well.

The present work intended to report the synthesis of newly designed donor-acceptor complexes of the pyrimidine-based system namely TAPHIA 1 and TAPHIA 2 , which are symphonized to give the NLO properties. The methodologies adopted for both complexes were different and hence influenced their geometrical properties. The synthesized complexes were characterized using different techniques including SCXRD, FTIR, UV, PXRD, and TGA to confirm their formation. The SCXRD analysis revealed that TAPHIA 1 was crystallized in the Pca2 1 space group in an orthorhombic system while TAPHIA 2 was crystallized in the P2 1 /c space group in a monoclinic system. The third-order NLO properties of both complexes were explored using the Z-Scan technique by employing a continuous wave (CW) diode laser of 520 nm. The third-order NLO parameters including nonlinear refractive index (n 2 ), nonlinear absorption coefficient (β) and nonlinear optical susceptibility (χ (3) ) were calculated at different powers; 40, 50 and 60 mW at fixed solution concentration (10 mM) for both the complexes. Moreover, the experimental properties including NLO, FTIR, and UV were well corroborated with theoretical results obtained at the B3LYP-D3/6-31++G(d,p) level of theory. The analysis of the theoretical and experimental properties of both complexes suggests that TAPHIA 2 is a better applicant to be employed in optical devices than TAPHIA 1 due to the enhanced ability of internal charge transfer. Graphical Abstract Symphonizing effect of NLO properties exhibited by two newly synthesized donor acceptor complexes namely TAPHIA 1 and TAPHIA 2. The NLO potential of the two newly reported organic complexes were influenced by their structural properties and charge transfer ability, made them good applicants to be employed in optoelectronic field.

Sea-ice pore microstructure constrains ice transport properties, affecting fluid flow relevant to oil-in-ice transport and biogeochemical processes. Motivated by a lack of pore microstructural data, in particular for granular ice and across the seasonal cycle, throat size, tortuosity, connectivity, and other microstructural variables were derived from X-ray computed tomography for brine-filled pores in seasonal landfast ice off northern Alaska. Data were obtained for granular and columnar ice during the ice growth, transition, and melt season. While granular ice exhibits a more heterogeneous pore space than columnar ice, pore and throat size distributions are comparable. The greater tortuosity of pores in granular (1.2 < τg < 1.7) compared to columnar ice (1.0 < τc < 1.1) compounded with a less interconnected pore space translates into lower permeability for granular ice during the growth season for a given porosity. The microstructural data explain findings of granular ice hindering vertical oil-in-ice transport during ice growth and transition stage. With granular ice more frequent in the changing Arctic, data from studies such as this are needed to inform improved modeling of porosity-permeability relationships.

Here we use polarimetric measurements from an Autonomous phase-sensitive Radio-Echo Sounder (ApRES) to investigate ice fabric within Whillans Ice Stream, West Antarctica. The survey traverse is bounded at one end by the suture zone with the Mercer Ice Stream and at the other end by a basal ‘sticky spot’. Our data analysis employs a phase-based polarimetric coherence method to estimate horizontal ice fabric properties: the fabric orientation and the magnitude of the horizontal fabric asymmetry. We infer an azimuthal rotation in the prevailing horizontal c-axis between the near-surface (z ≈ 10–50 m) and deeper ice (z ≈ 170–360 m), with the near-surface orientated closer to perpendicular to flow and deeper ice closer to parallel. In the near-surface, the fabric asymmetry increases toward the center of Whillans Ice Stream which is consistent with the surface compression direction. By contrast, the fabric orientation in deeper ice is not aligned with the surface compression direction but is consistent with englacial ice reacting to longitudinal compression associated with basal resistance from the nearby sticky spot.

Deciphering the localisation of solid and dissolved impurities on the micron-scale in glacial ice remains a challenge, but is critical to understand the integrity of ice core records and internal deformation. Here we report on the state-of-the-art in microstructural impurity research by highlighting recent progress in bringing together cryo-Raman spectroscopy and laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). We show the potential of both methods and discuss possibilities to improve inter-method approaches aiming for a more holistic understanding of the evolution of impurity localisation throughout the ice column, including post-depositional processes. In this framework, we elaborate on future research priorities such as LA-ICP-MS imaging on firn samples and integrating a large cryo-cell with imaging capabilities.

We have mapped the full crystallographic orientation of sea ice using electron backscatter diffraction (EBSD). This is the first time EBSD has been used to study sea ice. Platelet ice is a feature of sea ice near ice shelves. Ice crystals accumulate as an unconsolidated sub-ice platelet layer beneath the columnar ice (CI), where they are subsumed by the advancing sea–ice interface to form incorporated platelet ice (PI). As is well known, in CI the crystal preferred orientation comprises dominantly horizontal c-axes, while PI has c-axes varying between horizontal and vertical. For the first time, this study shows the a-axes of CI and PI are not random. Misorientation analysis has been used to illuminate the possible drivers of these alignments. In CI the misorientation angle distribution from random pairs and neighbour pairs of grains are indistinguishable, indicating the distributions are a consequence of crystal preferred orientation. Geometric selection during growth will develop the a-axis alignment in CI if ice growth in water is fastest parallel to the a-axis, as has previously been hypothesised. In contrast, in PI random-pair and neighbour-pair misorientation distributions are significantly different, suggesting mechanical rotation of crystals at grain boundaries as the most likely explanation.

Spontaneous S-alkylation of methimazole (1) with 1,2-dichloroethane (DCE) into 1,2-bis[(1-methyl-1H-imidazole-2-yl)thio]ethane (2), that we have described recently, opened the question about its formation pathway(s). Results of the synthetic, NMR spectroscopic, crystallographic and computational studies suggest that, under given conditions, 2 is obtained by direct attack of 1 on the chloroethyl derivative 2-[(chloroethyl)thio]-1-methyl-1H-imidazole (3), rather than through the isolated stable thiiranium ion isomer, i.e., 7-methyl-2H, 3H, 7H-imidazo[2,1-b]thiazol-4-ium chloride (4a, orthorhombic, space group Pnma), or in analogy with similar reactions, through postulated, but unproven intermediate thiiranium ion 5. Furthermore, in the reaction with 1, 4a prefers isomerization to the N-chloroethyl derivative, 1-chloroethyl-2,3-dihydro-3-methyl-1H-imidazole-2-thione (7), rather than alkylation to 2, while 7 further reacts with 1 to form 3-methyl-1-[(1-methyl-imidazole-2-yl)thioethyl]-1H-imidazole-2-thione (8, monoclinic, space group P 21/c). Additionally, during the isomerization of 3, the postulated intermediate thiiranium ion 5 was not detected by chromatographic and spectroscopic methods, nor by trapping with AgBF4. However, trapping resulted in the formation of the silver complex of compound 3, i.e., bis-2-[(chloroethyl)thio]-1-methyl-1H-imidazole-silver(I)tetrafluoroborate (6, monoclinic, space group P 21/c), which cyclized upon heating at 80 °C to 7-methyl-2H, 3H, 7H-imidazo[2,1-b]thiazol-4-ium tetrafluoroborate (4b, monoclinic, space group P 21/c). Finally, we observed thermal isomerization of both 2 and 2,3-dihydro-3-methyl-1-[(1-methyl-1H-imidazole-2-yl)thioethyl]-1H-imidazole-2-thione (8), into 1,2-bis(2,3-dihydro-3-methyl-1H-imidazole-2-thione-1-yl)ethane (9), which confirmed their structures.