ace Synthesis and crystal structure of 1,3-bis(acetoxymethyl)-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene By journals.iucr.org Published On :: 2024-08-13 In the crystal structure of the title compound, C26H36N2O4, the tripodal molecule exists in a conformation in which the substituents attached to the central arene ring are arranged in an alternating order above and below the ring plane. The heterocyclic unit is inclined at an angle of 79.6 (1)° with respect to the plane of the benzene ring. In the crystal, the molecules are connected via N—H⋯O bonds, forming infinite supramolecular strands. Interstrand association involves weak C—H⋯O and C—H⋯π interactions, with the pyridine ring acting as an acceptor in the latter case. Full Article text
ace Synthesis, crystal structure and Hirshfeld surface analysis of 1-[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2(1H)-one By journals.iucr.org Published On :: 2024-08-09 In the title molecule, C25H29N5O, the dihydroquinoxaline unit is not quite planar (r.m.s. deviation = 0.030 Å) as there is a dihedral angle of 2.69 (3)° between the mean planes of the constituent rings and the molecule adopts a hairpin conformation. In the crystal, the polar portions of the molecules are associated through C—H⋯O and C—H⋯N hydrogen bonds and C—H⋯π(ring) and C=O⋯π(ring) interactions, forming thick layers parallel to the bc plane and with the n-octyl groups on the outside surfaces. Full Article text
ace Crystal structure and Hirshfeld surface analysis of dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κN4)pyridine-κN]palladium(II) dimethylformamide monosolvate By journals.iucr.org Published On :: 2024-08-16 This study presents the synthesis, characterization and Hirshfeld surface analysis of the title mononuclear complex, [PdCl2(C12H14N4)]·C3H7NO. The compound crystalizes in the P21/c space group of the monoclinic system. The asymmetric unit contains one neutral complex Pd(HLc-Pe)Cl2 [HLc-Pe is 2-(3-cyclopentyl-1,2,4-triazol-5-yl)pyridine] and one molecule of DMF as a solvate. The Pd atom has a square-planar coordination. In the crystal, molecules are linked by intermolecular N—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to the bc plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 41.4%. The contribution of the N⋯H/H⋯N and H⋯O/O⋯H interactions is somewhat smaller, amounting to 12.4% and 5%, respectively. Full Article text
ace Synthesis, crystal structure and Hirshfeld surface analysis of [Cu(H2L)2(μ-Cl)CuCl3]·H2O [H2L = 2-hydroxy-N'-(propan-2-ylidene)benzohydrazide] By journals.iucr.org Published On :: 2024-08-20 The present study focuses on the synthesis and structural characterization of a novel dinuclear CuII complex, [trichloridocopper(II)]-μ-chlorido-{bis[2-hydroxy-N'-(propan-2-ylidene)benzohydrazide]copper(II)} monohydrate, [Cu2Cl4(C10H12N2O2)2]·H2O or [Cu(H2L)2(μ-Cl)CuCl3]·H2O [H2L = 2-hydroxy-N'-(propan-2-ylidene)benzohydrazide]. The complex crystallizes in the monoclinic space group P21/n with one molecule of water, which forms interactions with the ligands. The first copper ion is penta-coordinated to two benzohydrazine-derived ligands via two nitrogen and two oxygen atoms, and one bridging chloride, which is also coordinated by the second copper ion alongside three terminal chlorines in a distorted tetrahedral geometry. The arrangement around the first copper ion exhibits a distorted geometry intermediate between trigonal bipyramidal and square pyramidal. In the crystal, chains are formed via intermolecular interactions along the a-axis direction, with subsequent layers constructed through hydrogen-bonding interactions parallel to the ac plane, and through slipped π–π stacking interactions parallel to the ab plane, resulting in a three-dimensional network. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis. Residual electron density from disordered methanol molecules in the void space could not be reasonably modelled, thus a solvent mask was applied. Full Article text
ace Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one By journals.iucr.org Published On :: 2024-08-30 This study presents the synthesis, characterization and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one, C19H18Br2N2O. In the title compound, the pyrrolidine ring adopts a distorted envelope configuration. In the crystal, molecules are linked by intermolecular N—H⋯O, C—H⋯O and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, pairs of molecules along the c axis are connected by C—H⋯π interactions. According to a Hirshfeld surface study, H⋯H (36.9%), Br⋯H/H⋯Br (28.2%) and C⋯H/H⋯C (24.3%) interactions are the most significant contributors to the crystal packing. Full Article text
ace Synthesis, crystal structure and Hirshfeld surface analysis of a new copper(II) complex based on diethyl 2,2'-(4H-1,2,4-triazole-3,5-diyl)diacetate By journals.iucr.org Published On :: 2024-08-30 The title compound, bis[μ-2,2'-(4H-1,2,4-triazole-3,5-diyl)diacetato]bis[diaquacopper(II)] dihydrate, [Cu2(C6H5N3O4)2(H2O)4]·2H2O, is a dinuclear octahedral CuII triazole-based complex. The central copper atoms are hexa-coordinated by two nitrogen atoms in the equatorial positions, two equatorial oxygen atoms of two carboxylate substituents in position 3 and 5 of the 1,2,4-triazole ring, and two axial oxygen atoms of two water molecules. Two additional solvent water molecules are linked to the title molecule by O—H⋯N and O⋯H—O hydrogen bonds. The crystal structure is built up from the parallel packing of discrete supramolecular chains running along the a-axis direction. Hirshfeld surface analysis suggests that the most important contributions to the surface contacts are from H⋯O/O⋯H (53.5%), H⋯H (28.1%), O⋯O (6.3%) and H⋯C/C⋯H (6.2%) interactions. The crystal studied was twinned by a twofold rotation around [100]. Full Article text
ace Crystal structure, Hirshfeld surface analysis, DFT and the molecular docking studies of 3-(2-chloroacetyl)-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one By journals.iucr.org Published On :: 2024-08-30 In the title compound, C33H29ClN2O2, the two piperidine rings of the diazabicyclo moiety adopt distorted-chair conformations. Intermolecular C—H⋯π interactions are mainly responsible for the crystal packing. The intermolecular interactions were quantified and analysed using Hirshfeld surface analysis, revealing that H⋯H interactions contribute most to the crystal packing (52.3%). The molecular structure was further optimized by density functional theory (DFT) at the B3LYP/6–31 G(d,p) level and is compared with the experimentally determined molecular structure in the solid state. Full Article text
ace Crystal structure, Hirshfeld surface analysis, DFT optimized molecular structure and the molecular docking studies of 1-[2-(cyanosulfanyl)acetyl]-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one By journals.iucr.org Published On :: 2024-09-12 The two molecules in the asymmetric unit of the title compound, C23H24N2O2S, have a structural overlap with an r.m.s. deviation of 0.82 Å. The piperidine rings adopt a distorted boat conformation. Intra- and intermolecular C—H⋯O hydrogen bonds are responsible for the cohesion of the crystal packing. The intermolecular interactions were quantified and analysed using Hirshfeld surface analysis. The molecular structure optimized by density functional theory (DFT) at the B3LYP/6–311++G(d,p)level is compared with the experimentally determined molecular structure in the solid state. Full Article text
ace Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-dihydro-2H-benzimidazol-2-iminium 3-carboxy-4-hydroxybenzenesulfonate By journals.iucr.org Published On :: 2024-09-06 The asymmetric unit of the title salt, C7H8N3+·C7H5O6S−, comprises two 1,3-dihydro-2H-benzimidazol-2-iminium cations and two 2-hydroxy-5-sulfobenzoate anions (Z' = 2). In the crystal, the molecules interact through N—H⋯O, O—H⋯O hydrogen bonds and C—O⋯π contacts. The hydrogen-bonding interactions lead to the formation of layers parallel to (overline{1}01). Hirshfeld surface analysis revealed that H⋯H contacts contribute to most of the crystal packing with 38.9%, followed by H⋯O contacts with 36.2%. Full Article text
ace Synthesis, crystal structure and Hirshfeld surface analysis of 4'-cyano-[1,1'-biphenyl]-4-yl 3-(benzyloxy)benzoate By journals.iucr.org Published On :: 2024-09-12 In the title compound, C27H19O3N, the dihedral angle between the aromatic rings of the biphenyl unit is 38.14 (2)° and the C—O—C—C torsion angle in the benzyloxy benzene fragment is 179.1 (2)°. In the crystal, the molecules are linked by weak C—H⋯O interactions forming S(9) chains propagating along [010]. The most important contributions to the Hirshfeld surface arise from H⋯H (32.4%) and C⋯H/H⋯C (37.0%) contacts. Full Article text
ace Crystal structure, Hirshfeld surface analysis, and calculations of intermolecular interaction energies and energy frameworks of 1-[(1-hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-(1-methylethenyl)-benzimidazol-2-one By journals.iucr.org Published On :: 2024-09-30 The benzimidazole moiety in the title molecule, C19H25N5O, is almost planar and oriented nearly perpendicular to the triazole ring. In the crystal, C—H⋯O hydrogen bonds link the molecules into a network structure. There are no π–π interactions present but two weak C—H⋯π(ring) interactions are observed. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (62.0%), H⋯C/C⋯H (16.1%), H⋯N/N⋯H (13.7%) and H⋯O/O⋯H (7.5%) interactions. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the stabilization is dominated via the dispersion energy contributions in the title compound. Full Article text
ace Crystal structure and Hirshfeld surface analysis of (E)-N-(2-styrylphenyl)benzenesulfonamide By journals.iucr.org Published On :: 2024-09-20 The crystal structure of the title compound C20H17NO2S features hydrogen-bonding and C—H⋯π interactions. Hirshfeld surface analysis revealed that H⋯H, C⋯H/H⋯C and O⋯H/H⋯O interactions make a major contribution to the crystal packing. Docking studies were carried out to determine the binding affinity and interaction profile of the title compound with EGFR kinase, a member of the ErbB family of receptor tyrosine kinases, which is crucial for processes such as cell proliferation and differentiation. The title compound shows a strong binding affinity with EGFR kinase, with the most favourable conformation having a binding energy of −8.27 kcal mol−1 and a predicted IC50 of 870.34 nM, indicating its potential as a promising candidate for targeted lung cancer therapy. Full Article text
ace Synthesis, crystal structure and Hirshfeld surface analysis of (2-amino-1-methylbenzimidazole-κN3)aquabis(4-oxopent-2-en-2-olato-κ2O,O')nickel(II) ethanol monosolvate By journals.iucr.org Published On :: 2024-10-22 The molecule of the title compound, [Ni(C5H7O2)2(C8H9N3)(H2O)]·C2H5OH, has triclinic (Poverline{1}) symmetry. This compound is of interest for its antimicrobial properties. The asymmetric unit comprises two independent complex molecules, which are linked by N—H⋯O and O—H⋯O hydrogen bonds along [111]. Hirshfeld surface analysis indicates that 71.7% of intermolecular interactions come from H⋯H contacts, 17.7% from C⋯H/H⋯C contacts and 7.6% from O⋯H/H⋯O contacts, with the remaining contribution coming from N⋯H/H⋯N, C⋯N/N⋯C, C⋯C and O⋯O contacts. Full Article text
ace Synthesis, non-spherical structure refinement and Hirshfeld surface analysis of racemic 2,2'-diisobutoxy-1,1'-binaphthalene By journals.iucr.org Published On :: 2024-09-24 In the racemic title compound, C28H30O2, the naphthyl ring systems subtend a dihedral angle of 68.59 (1)° and the molecular conformation is consolidated by a pair of intramolecular C—H⋯π contacts. The crystal packing features a weak C—H⋯π contact and van der Waals forces. A Hirshfeld surface analysis of the crystal structure reveals that the most significant contributions are from H⋯H (73.2%) and C⋯H/H⋯C (21.2%) contacts. Full Article text
ace Crystal structure and Hirshfeld surface analysis of trichlorido(1,10-phenanthroline-κ2N,N')phenyltin(IV) By journals.iucr.org Published On :: 2024-09-24 The title compound, [Sn(C6H5)Cl3(C12H8N2)], which was obtained by the reaction between 1,10-phenanthroline and phenyltin trichloride in methanol, exhibits intramolecular hydrogen-bonding interactions involving the chlorine and hydrogen atoms. Crystal cohesion is ensured by intermolecular C—H⋯Cl hydrogen bonds, as well as Y—X⋯π and π-stacking interactions involving three different aromatic rings with centroid–centroid distances of 3.6605 (13), 3.9327 (14) and 3.6938 (12) Å]. Hirshfeld surface analysis and the associated two-dimensional fingerprint plots reveal significant contributions from H⋯H (30.7%), Cl⋯H/H⋯Cl (32.4%), and C⋯H/H⋯C (24.0%) contacts to the crystal packing while the C⋯C (6.2%), C⋯Cl/Cl⋯C (4.1%), and N⋯H/H⋯N (1.7%) interactions make smaller contributions. Full Article text
ace Crystal structure and Hirshfeld surface analysis of {2-[bis(pyridin-2-ylmethyl)amino]ethane-1-thiolato}chloridocadmium(II) By journals.iucr.org Published On :: 2024-09-30 The title compound, [Cd(C14H16N3S)Cl] or [CdLCl] (1), where LH = 2-[bis(pyridin-2-ylmethyl)amino]ethane-1-thiol, was prepared and structurally characterized. The Cd2+ complex crystallizes in P21/c with a distorted trigonal–bipyramidal metal coordination geometry. Supramolecular interactions in 1 include parallel offset face-to-face interactions between inversion-related pyridyl rings and potential hydrogen bonds with chlorine or sulfur as the acceptor. Additional cooperative pyridyl–pyridyl interactions with roughly 45° tilt angles and centroid–centroid distances of less than 5.5 Å likely also contribute to the overall solid-state stability. Hirshfeld surface analysis indicates that H⋯H (51.2%), Cl⋯H/H⋯Cl (13.9%), C⋯H/H⋯C (12.3%) and S⋯H/H⋯S (11.8%) interactions are dominant in the solid state. Full Article text
ace Synthesis, crystal structure and Hirshfeld surface analysis of sulfamethoxazolium methylsulfate monohydrate By journals.iucr.org Published On :: 2024-09-24 The molecular salt sulfamethoxazolium {or 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilinium methyl sulfate monohydrate}, C10H12N3O3S+·CH3O4S−·H2O, was prepared by the reaction of sulfamethoxazole and H2SO4 in methanol and crystallized from methanol–ether–water. Protonation takes place at the nitrogen atom of the primary amino group. In the crystal, N—H⋯O hydrogen bonds (water and methylsulfate anion) and intermolecular N—H⋯N interactions involving the sulfonamide and isoxazole nitrogen atoms, link the components into a tri-dimensional network, additional cohesion being provided by face-to-face π–π interactions between the phenyl rings of adjacent molecules. A Hirshfeld surface analysis was used to verify the contributions of the different intermolecular interactions, showing that the three most important contributions for the crystal packing are from H⋯O (54.1%), H⋯H (29.2%) and H⋯N (5.0%) interactions. Full Article text
ace Crystal structure and Hirshfeld surface analyses, crystal voids, intermolecular interaction energies and energy frameworks of 3-benzyl-1-(3-bromopropyl)-5,5-diphenylimidazolidine-2,4-dione By journals.iucr.org Published On :: 2024-10-04 The title molecule, C25H23BrN2O2, adopts a cup shaped conformation with the distinctly ruffled imidazolidine ring as the base. In the crystal, weak C—H⋯O hydrogen bonds and C—H⋯π(ring) interactions form helical chains of molecules extending along the b-axis direction that are linked by additional weak C—H⋯π(ring) interactions across inversion centres. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (51.0%), C⋯H/H⋯C (21.3%), Br⋯H/H⋯Br (12.8%) and O⋯H/H⋯O (12.4%) interactions. The volume of the crystal voids and the percentage of free space were calculated to be 251.24 Å3 and 11.71%, respectively, showing that there is no large cavity in the crystal packing. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the stabilization is dominated by the dispersion energy. Full Article text
ace Crystal structure and Hirshfeld surface analysis of (nitrato-κ2O,O')(1,4,7,10-tetraazacyclododecane-κ4N)nickel(II) nitrate By journals.iucr.org Published On :: 2024-10-11 The crystal structure of the title compound, [Ni(C8H20N4)(NO3)]NO3, at room temperature, has monoclinic (P21/n) symmetry. The structure displays intermolecular hydrogen bonding. The nickel displays a distorted bipyramidal geometry with the symmetric bidentate bonded nitrate occupying an equatorial site. The 1,4,7,10-tetraazacyclododecane (cyclen) backbone has the [4,8] configuration, with three nitrogen-bound H atoms directed above the plane of the nitrogen atoms towards the offset nickel atom with the fourth nitrogen-bound hydrogen directed below from the plane of the nitrogen atoms. The nitrate anion O atoms are seen to hydrogen bond to the H atoms bound to the N atoms of the ligand. Full Article text
ace Synthesis, structures and Hirshfeld surface analyses of 2-hydroxy-N'-methylacetohydrazide and 2-hydroxy-N-methylacetohydrazide By journals.iucr.org Published On :: 2024-10-15 The structures of the title compounds 2-hydroxy-N'-methylacetohydrazide, 1, and 2-hydroxy-N-methylacetohydrazide, 2, both C3H8N2O2, as regioisomers differ in the position of the methyl group relative to the N atoms in 2-hydroxy-acetohydrazide. In the structure of 1, the 2-hydroxy-acetohydrazide core [OH—C—C(=O)—NH—NH] is almost planar and the methyl group is rotated relative to this plane. As opposed to 1, in the structure of 2 all non-hydrogen atoms lie in the same plane. The hydroxyl and carbonyl groups in structures 1 and 2 are in trans and cis positions, respectively. The methyl amino group and carbonyl group are in the cis position relative to the C—N bond in structure 1, while the amino group and carbonyl group are in the trans position relative to the C—N bond in stucture 2. In the crystal, molecules of 1 are linked by N—H⋯O and O—H⋯N intermolecular hydrogen bonds, forming layers parallel to the ab crystallographic plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 55.3%. The contribution of the H⋯O/O⋯H interaction is somewhat smaller, amounting to 30.8%. In the crystal, as a result of the intermolecular O—H⋯O hydrogen bonds, molecules of 2 form dimers, which are linked by N—H⋯O hydrogen bonds and a three-dimensional supramolecular network The major contributors to the Hirshfeld surface are H⋯H (58.5%) and H⋯O/O⋯H contacts (31.7%). Full Article text
ace The crystal structures determination and Hirshfeld surface analysis of N-(4-bromo-3-methoxyphenyl)- and N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}- derivatives of N-{[3-bromo-1-(phenylsulfonyl)-1H-indol- By journals.iucr.org Published On :: 2024-10-04 Two new phenylsulfonylindole derivatives, namely, N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide, C28H22Br2N2O5S2, (I), and N,N-bis{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}benzenesulfonamide, C36H27Br2N3O6S3, (II), reveal the impact of intramolecular π–π interactions of the indole moieties as a factor not only governing the conformation of N,N-bis(1H-indol-2-yl)methyl)amines, but also significantly influencing the crystal patterns. For I, the crystal packing is dominated by C—H⋯π and π–π bonding, with a particular significance of mutual indole–indole interactions. In the case of II, the molecules adopt short intramolecular π–π interactions between two nearly parallel indole ring systems [with the centroids of their pyrrole rings separated by 3.267 (2) Å] accompanied by a set of forced Br⋯O contacts. This provides suppression of similar interactions between the molecules, while the importance of weak C—H⋯O hydrogen bonding to the packing naturally increases. Short contacts of the latter type [C⋯O = 3.389 (6) Å] assemble pairs of molecules into centrosymmetric dimers with a cyclic R22(13) ring motif. These findings are consistent with the results of a Hirshfeld surface analysis and together they suggest a tool for modulating the supramolecular behavior of phenylsulfonylated indoles. Full Article text
ace Crystal structure, Hirshfeld surface analysis, and DFT and molecular docking studies of 6-cyanonaphthalen-2-yl 4-(benzyloxy)benzoate By journals.iucr.org Published On :: 2024-10-22 In the title compound, C25H17NO3, the torsion angle associated with the phenyl benzoate group is −173.7 (2)° and that for the benzyloxy group is −174.8 (2)° establishing an anti-type conformation. The dihedral angles between the ten-membered cyanonaphthalene ring and the aromatic ring of the phenyl benzoate and the benzyloxy fragments are 40.70 (10) and 87.51 (11)°, respectively, whereas the dihedral angle between the aromatic phenyl benzoate and the benzyloxy fragments is 72.30 (13)°. In the crystal, the molecules are linked by weak C—H⋯O interactions forming S(4) chains propagating parallel to [010]. The packing is consolidated by three C—H⋯π interactions and two π–π stacking interactions between the aromatic rings of naphthalene and phenyl benzoate with centroid-to-centroid distances of 3.9698 (15) and 3.8568 (15) Å, respectively. Intermolecular interactions were quantified using Hirshfeld surface analysis. The molecular structure was further optimized by density functional theory (DFT) at the B3LYP/6–311+ G(d,p) level, revealing that the energy gap between HOMO and LUMO is 3.17 eV. Molecular docking studies were carried out for the title compound as a ligand and SARS-Covid-2(PDB ID:7QF0) protein as a receptor giving a binding affinity of −9.5 kcal mol−1. Full Article text
ace Crystal structure of an acetonitrile solvate of 2-(3,4,5-triphenylphenyl)acetic acid By journals.iucr.org Published On :: 2024-10-24 Crystal growth of 2-(3,4,5-triphenylphenyl)acetic acid (1) from acetonitrile yields a monosolvate, C26H20O2·CH3CN, of the space group P1. In the crystal, the title molecule adopts a conformation in which the three phenyl rings are arranged in a paddlewheel-like fashion around the central arene ring and the carboxyl residue is oriented nearly perpendicular to the plane of this benzene ring. Inversion-symmetric dimers of O—H⋯O-bonded molecules of 1 represent the basic supramolecular entities of the crystal structure. These dimeric molecular units are further linked by C—H⋯O=C bonds to form one-dimensional supramolecular aggregates running along the crystallographic [111] direction. Weak Caryl—H⋯N interactions occur between the molecules of 1 and acetonitrile. Full Article text
ace Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chlorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl}-N-phenylacetamide By journals.iucr.org Published On :: 2024-10-31 In the title molecule, C20H18ClN3O2, the 2-chlorophenyl group is disordered to a small extent [occupancies 0.875 (2)/0.125 (2)]. The phenylacetamide moiety is nearly planar due to a weak, intramolecular C—H⋯O hydrogen bond. In the crystal, N—H⋯O hydrogen bonds and π-stacking interactions between pyridazine and phenyl rings form helical chains of molecules in the b-axis direction, which are linked by C—H⋯O hydrogen bonds and C—H⋯π(ring) interactions. A Hirshfeld surface analysis was performed, which showed that H⋯H, C⋯H/H⋯C and O⋯H/H⋯O interactions to dominate the intermolecular contacts in the crystal. Full Article text
ace Crystal structure and Hirshfeld surface analysis of the salt 2-iodoethylammonium iodide – a possible side product upon synthesis of hybrid perovskites By journals.iucr.org Published On :: 2024-10-31 The title organic–inorganic hybrid salt, C2H7IN+·I−, is isotypic with its bromine analog, C2H7BrN+·Br− [Semenikhin et al. (2024). Acta Cryst. E80, 738–741]. Its asymmetric unit consists of one 2-iodoethylammonium cation and one iodide anion. The NH3+ group of the organic cation forms weak hydrogen bonds with four neighboring iodide anions, leading to the formation of supramolecular layers propagating parallel to the bc plane. Hirshfeld surface analysis reveals that the most important contribution to the crystal packing is from N—H⋯I interactions (63.8%). The crystal under investigation was twinned by a 180° rotation around [001]. Full Article text
ace Crystal structure and Hirshfeld surface analysis of bis(benzoylacetonato)(ethanol)dioxidouranium(VI) By journals.iucr.org Published On :: 2024-11-05 A new uranium metal–organic complex salt, [U(C10H9O2)2O2(C2H6O)], with benzoyl acetone, namely, bis(benzoylacetonato)(ethanol)dioxidouranium(VI), was synthesized. The compound has monoclinic P21/n symmetry. The geometry of the seven-coordinate U atom is pentagonal bipyramidal, with the uranyl oxygen atoms in apical positions. In the complex, the ligands bind to the metal through oxygen atoms. Additional weak O—H⋯O contacts between the cations and anions consolidate the three-dimensional arrangement of the structure. On the Hirshfeld surface, the largest contributions come from the short contacts such as van der Waals forces, including H⋯H, O⋯H and C⋯H. Interactions including C⋯C and O⋯C contacts were also observed; however, their contribution to the overall cohesion of the crystal structure is minor. A packing analysis was performed to check the strength of the crystal packing. Full Article text
ace Tripling of the scattering vector range of X-ray reflectivity on liquid surfaces using a double-crystal deflector By journals.iucr.org Published On :: 2024-02-16 The maximum range of perpendicular momentum transfer (qz) has been tripled for X-ray scattering from liquid surfaces when using a double-crystal deflector setup to tilt the incident X-ray beam. This is achieved by employing a higher-energy X-ray beam to access Miller indices of reflecting crystal atomic planes that are three times higher than usual. The deviation from the exact Bragg angle condition induced by misalignment between the X-ray beam axis and the main rotation axis of the double-crystal deflector is calculated, and a fast and straightforward procedure to align them is deduced. An experimental method of measuring scattering intensity along the qz direction on liquid surfaces up to qz = 7 Å−1 is presented, with liquid copper serving as a reference system for benchmarking purposes. Full Article text
ace Unlocking the surface chemistry of ionic minerals: a high-throughput pipeline for modeling realistic interfaces By journals.iucr.org Published On :: 2024-03-15 A systematic procedure is introduced for modeling charge-neutral non-polar surfaces of ionic minerals containing polyatomic anions. By integrating distance- and charge-based clustering to identify chemical species within the mineral bulk, our pipeline, PolyCleaver, renders a variety of theoretically viable surface terminations. As a demonstrative example, this approach was applied to forsterite (Mg2SiO4), unveiling a rich interface landscape based on interactions with formaldehyde, a relevant multifaceted molecule, and more particularly in prebiotic chemistry. This high-throughput method, going beyond techniques traditionally applied in the modeling of minerals, offers new insights into the potential catalytic properties of diverse surfaces, enabling a broader exploration of synthetic pathways in complex mineral systems. Full Article text
ace FLEXR GUI: a graphical user interface for multi-conformer modeling of proteins By journals.iucr.org Published On :: 2024-03-27 Proteins are well known `shapeshifters' which change conformation to function. In crystallography, multiple conformational states are often present within the crystal and the resulting electron-density map. Yet, explicitly incorporating alternative states into models to disentangle multi-conformer ensembles is challenging. We previously reported the tool FLEXR, which, within a few minutes, automatically separates conformational signal from noise and builds the corresponding, often missing, structural features into a multi-conformer model. To make the method widely accessible for routine multi-conformer building as part of the computational toolkit for macromolecular crystallography, we present a graphical user interface (GUI) for FLEXR, designed as a plugin for Coot 1. The GUI implementation seamlessly connects FLEXR models with the existing suite of validation and modeling tools available in Coot. We envision that FLEXR will aid crystallographers by increasing access to a multi-conformer modeling method that will ultimately lead to a better representation of protein conformational heterogeneity in the Protein Data Bank. In turn, deeper insights into the protein conformational landscape may inform biology or provide new opportunities for ligand design. The code is open source and freely available on GitHub at https://github.com/TheFischerLab/FLEXR-GUI. Full Article text
ace Laue microdiffraction on polycrystalline samples above 1500 K achieved with the QMAX-µLaue furnace By journals.iucr.org Published On :: 2024-03-31 X-ray Laue microdiffraction aims to characterize microstructural and mechanical fields in polycrystalline specimens at the sub-micrometre scale with a strain resolution of ∼10−4. Here, a new and unique Laue microdiffraction setup and alignment procedure is presented, allowing measurements at temperatures as high as 1500 K, with the objective to extend the technique for the study of crystalline phase transitions and associated strain-field evolution that occur at high temperatures. A method is provided to measure the real temperature encountered by the specimen, which can be critical for precise phase-transition studies, as well as a strategy to calibrate the setup geometry to account for the sample and furnace dilation using a standard α-alumina single crystal. A first application to phase transitions in a polycrystalline specimen of pure zirconia is provided as an illustrative example. Full Article text
ace Reconstructing the reflectivity of liquid surfaces from grazing incidence X-ray off-specular scattering data By journals.iucr.org Published On :: 2024-05-17 The capillary wave model of a liquid surface predicts both the X-ray specular reflection and the diffuse scattering around it. A quantitative method is presented to obtain the X-ray reflectivity (XRR) from a liquid surface through the diffuse scattering data around the specular reflection measured using a grazing incidence X-ray off-specular scattering (GIXOS) geometry at a fixed horizontal offset angle with respect to the plane of incidence. With this approach the entire Qz-dependent reflectivity profile can be obtained at a single, fixed incident angle. This permits a much faster acquisition of the profile than with conventional reflectometry, where the incident angle must be scanned point by point to obtain a Qz-dependent profile. The XRR derived from the GIXOS-measured diffuse scattering, referred to in this paper as pseudo-reflectivity, provides a larger Qz range compared with the reflectivity measured by conventional reflectometry. Transforming the GIXOS-measured diffuse scattering profile to pseudo-XRR opens up the GIXOS method to widely available specular XRR analysis software tools. Here the GIXOS-derived pseudo-XRR is compared with the XRR measured by specular reflectometry from two simple vapor–liquid interfaces at different surface tension, and from a hexadecyltrimethylammonium bromide monolayer on a water surface. For the simple liquids, excellent agreement (beyond 11 orders of magnitude in signal) is found between the two methods, supporting the approach of using GIXOS-measured diffuse scattering to derive reflectivities. Pseudo-XRR obtained at different horizontal offset angles with respect to the plane of incidence yields indistinguishable results, and this supports the robustness of the GIXOS-XRR approach. The pseudo-XRR method can be extended to soft thin films on a liquid surface, and criteria are established for the applicability of the approach. Full Article text
ace Accurate space-group prediction from composition By journals.iucr.org Published On :: 2024-06-18 Predicting crystal symmetry simply from chemical composition has remained challenging. Several machine-learning approaches can be employed, but the predictive value of popular crystallographic databases is relatively modest due to the paucity of data and uneven distribution across the 230 space groups. In this work, virtually all crystallographic information available to science has been compiled and used to train and test multiple machine-learning models. Composition-driven random-forest classification relying on a large set of descriptors showed the best performance. The predictive models for crystal system, Bravais lattice, point group and space group of inorganic compounds are made publicly available as easy-to-use software downloadable from https://gitlab.com/vishsoft/cosy. Full Article text
ace Deconstructing 3D growth rates from transmission microscopy images of facetted crystals as captured in situ within supersaturated aqueous solutions By journals.iucr.org Published On :: 2024-09-25 Here, a morphologically based approach is used for the in situ characterization of 3D growth rates of facetted crystals from the solution phase. Crystal images of single crystals of the β-form of l-glutamic acid are captured in situ during their growth at a relative supersaturation of 1.05 using transmission optical microscopy. The crystal growth rates estimated for both the {101} capping and {021} prismatic faces through image processing are consistent with those determined using reflection light mode [Jiang, Ma, Hazlehurst, Ilett, Jackson, Hogg & Roberts (2024). Cryst. Growth Des. 24, 3277–3288]. The growth rate in the {010} face is, for the first time, estimated from the shadow widths of the {021} prismatic faces and found to be typically about half that of the {021} prismatic faces. Analysis of the 3D shape during growth reveals that the initial needle-like crystal morphology develops during the growth process to become more tabular, associated with the Zingg factor evolving from 2.9 to 1.7 (>1). The change in relative solution supersaturation during the growth process is estimated from calculations of the crystal volume, offering an alternative approach to determine this dynamically from visual observations. Full Article text
ace Mirakl partners with Mangopay to accelerate development of European marketplaces By thepaypers.com Published On :: Tue, 12 Nov 2024 13:09:00 +0100 Mirakl has announced its partnership with Full Article
ace Fintech for Marketplaces and Platforms Report 2024 By thepaypers.com Published On :: Tue, 28 May 2024 07:24:00 +0100 The 1st edition of the Fintech for Marketplaces and Platforms Report covers essential ecommerce trends and future perspectives. Full Article
ace FilmWeek: ‘A Quiet Place Part II,’ ‘Cruella,’ ‘Moby Doc’ And More By www.scpr.org Published On :: Fri, 28 May 2021 11:00:00 -0700 Millicent Simmonds, Noah Jupe and Emily Blunt return in “A Quiet Place, Part II.”; Credit: Paramount Pictures FilmWeek MarqueeLarry Mantle and KPCC film critics Lael Loewenstein, Christy Lemire and Charles Solomon review this weekend’s new movie releases on streaming and on demand platforms.This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
ace The Cosby Show at 30: Changing the face of black America By www.scpr.org Published On :: Fri, 19 Sep 2014 14:39:08 -0700 The original cast of The Cosby Show. ; Credit: Frank Carroll/Associated Press Thirty years ago, on September 20,"The Cosby Show" debuted on NBC and went on to dominate our screens for almost a decade. The award-winning sitcom introduced us to the Huxtables, an upper-middle class black family made up of Heathcliff, Clair and their five children. Plus a cast of ugly sweaters. "The Cosby Show" covered familiar territory; from children getting body piercings, bad boyfriends and maintaining a long term relationship as parents with professional lives. Speaking to Take Two's Alex Cohen, Mark Anthony Neal, professor of African and African American Studies at Duke University said "The Cosby Show" broke down racial stereotypes. "It really was the first program to present not just a middle class, or upper-middle class black family, but a professional family. Clair and Heathcliff Huxtable were educated, they had advanced degrees. It was an image we hadn't seen before." From 1985 to 1990, "The Cosby Show" held the number one spot in the TV ratings war, appealing to audiences across color lines. Black viewers in particular welcomed a broader representation of African American life on screen, building on the success of shows such as "The Jeffersons", "Sanford and Son" and "Good Times". "Bill Cosby was very honest about the fact that when he conceived the character of Heathcliff Huxtable, he was looking for images that countered, say, Fred Sanford who was a junk dealer, or James Evans, Jr. in 'Good Times' who was always struggling to find a job. Bill Cosby wanted to bring a different view of the black family into the mix." Despite its popularity, some people took issue with how "The Cosby Show" tackled race issues. "It's not that black Americans didn't enjoy the show, but there were criticisms because it didn't explore the broader world of African Americans." says Professor Neal. "The Huxtable family became a stand in for the successes of the civil rights movement. It became the rationale that if the Huxtables can do it, why can't other African Americans do it?" Today's media landscape is very different to the one "The Cosby Show" existed in. For this reason, says Professor Neal, its success has been difficult to replicate. "Right after it went off the air, cable TV takes hold and we get this niche programming. Many African American programs ended up on Fox, UPN and the WB, so there was no incentive for the major networks to do any Cosby-like programming with a black family at the center." With the debut of ABC's "Blackish" on September 24, it's hoped this will go some way to fill the Cosby-shaped void. In the meantime there's always YouTube and re-runs. Just be thankful Heathcliff's ugly sweaters are a thing of the past. Full Article
ace Food writer Russ Parsons brings Rabe a pie (not in the face) for the Off-Ramp finale By www.scpr.org Published On :: Wed, 28 Jun 2017 13:01:07 -0700 Former LA Times food writer Russ Parsons offers John Rabe a piece of pie, in John's Mercedes; Credit: John Rabe/KPCC John Rabe | Off-Ramp®Semi-retired, former LA Times food writer Russ Parsons appeared often on Off-Ramp over the years, helping to explain the city’s communities through their food, as well as giving solid cooking advice. For the final edition of Off-Ramp, John picked up Russ at Jongewaard's Bake-N-Broil, a Long Beach institution. Parsons brought John an olallieberry pie (a cross of 'Black Logan' blackberries and youngberries), whilst the inimitable Parsons -- author of "How to Pick a Peach: The Search for Flavor from Farm to Table" and "How to Read a French Fry: And Other Stories of Intriguing Kitchen Science" -- opted for the coconut cream. Listen to the audio for John and Russ' observations on how food brings the disparate cultures of Los Angeles together, and to hear about which part of hosting Off-Ramp is as humbling for John as it is for Parsons when readers tell him they cook his food at Thanksgiving. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
ace The 'Human Error' That's Snarling The New York City Mayor's Race By www.scpr.org Published On :: Wed, 30 Jun 2021 12:40:11 -0700 Joe Hernandez | NPRThe closely-watched New York City mayoral primary election tumbled into chaos this week as the NYC Board of Elections announced it had released incorrect preliminary results on Tuesday. City officials admitted they failed to remove 135,000 test ballots from the election management system before starting to count the real votes from Election Day and early voting, skewing the results. "The Board apologizes for the error and has taken immediate measures to ensure the most accurate up to date results are reported," the agency tweeted. The error is complicated by the fact that New York City is using ranked-choice voting, in which each round of vote counting hinges on the results from the previous round. Some of the top candidates vying to lead the country's largest city blasted the board's mistake as they — and about 8.5 million other New Yorkers — awaited the results of a revised tally expected to be released on Wednesday. Ranked-choice voting, explained Instead of choosing just one candidate to vote for, New York City voters in last week's election were able to rank their top five candidates in order of preference. It was the first time in decades New York used ranked-choice voting, which city voters overwhelmingly approved in a 2019 ballot measure. NPR's Domenico Montanaro explained how the process works: "If someone gets 50% plus one after all the first-choice votes are counted, then the election is over and that candidate wins. "But if no one gets 50% plus one, it's on to Round 2. "The person with the lowest number of first-place votes is eliminated, and that candidate's voters' second choices get redistributed as votes for other candidates. "This reallocation of votes goes on until someone reaches 50% plus one." If just two candidates remain at the end, the candidate with the most votes wins. What happened this week On Tuesday, the city Board of Elections released the first ranked-choice voting reports from the election. With only first-preference votes counted as of election night, Brooklyn Borough President Eric Adams boasted a nine-point lead over attorney Maya Wiley. Those first reported ranked-choice results shrank Adam's lead to just two points ahead of former Sanitation Commissioner Kathryn Garcia, Gothamist reported. But just hours later, the board tweeted that it had become aware of a "discrepancy" in the ranked-choice voting results and pulled them from its website. In a follow-up apology, the board acknowledged that it had erroneously left 135,000 test votes in its election system, producing "additional records" that likely impacted an accurate tally. "At this point it really seems like an issue of human error," WNYC reporter Brigid Bergin told NPR's Morning Edition. "The board does conduct a lot of pre-election testing to make sure their systems are working and, obviously, that was even more important this time, because it was the first time they were using this new ranked-choice voting system," she added. Bergin said the board is expected to release a corrected ranked-choice voting report Wednesday, but it will still be preliminary and it won't include 124,000 absentee ballots. How the candidates are reacting All of the mayoral contenders expressed frustration with the board's blunder. "Today's mistake by the Board of Elections was unfortunate," Adams tweeted Tuesday. "It is critical that New Yorkers are confident in their electoral system, especially as we rank votes in a citywide election for the first time." Garcia, who was fleetingly thrust into second place by the incorrect ranked-choice voting report, called for a more thorough accounting of what went wrong. "The Board of Elections' release of incorrect ranked choice votes is deeply troubling and requires a much more transparent and complete explanation. Every ranked choice and absentee vote must be counted accurately so that all New Yorkers have faith in our democracy and our government," she tweeted. Progressive candidate Maya Wiley said this week's misstep was just the latest in a string of mistakes by the board. "This error by the Board of Elections is not just failure to count votes properly today, it is the result of generations of failures that have gone unaddressed," Wiley said. "Today, we have once again seen the mismanagement that has resulted in a lack of confidence in results, not because there is a flaw in our election laws, but because those who implement it have failed too many times." WNYC's Bergin said she thought the misstep would not cause voters to question the election results but that it may diminish the board's reputation in the eyes of the public. "This agency is really the last bastion of true patronage politics in New York," she said. "There's been a push to overhaul the agency, to give the staff more authority over political appointees. But ultimately that's all up to state lawmakers to do." Copyright 2021 NPR. To see more, visit https://www.npr.org. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
ace FilmWeek: ‘A Quiet Place Part II,’ ‘Cruella,’ ‘Moby Doc’ And More By www.scpr.org Published On :: Fri, 28 May 2021 09:16:49 -0700 Still of Emily Blunt and Noah Jupe in the film “A Quiet Place Part II.”; Credit: Paramount Pictures FilmWeekLarry Mantle and KPCC film critics Lael Loewenstein, Christy Lemire and Charles Solomon review this weekend’s new movie releases on streaming and on demand platforms. "A Quiet Place Part II," in wide release "Cruella," in wide release & Disney+ "Dog Gone Trouble," on Netflix "Pretty Guardian Sailor Moon Eternal The Movie," on Netflix June 3 "Moby Doc," In Select Theaters (check your local listings); VOD (including FandangoNow, iTunes, Vudu); Laemmle’s Virtual Cinema June 4 "Changing The Game," on Hulu June 1 "Port Authority," Cinelounge Sunset Hollywood; Laemmle’s Virtual Cinema; Digital/VOD (including Vudu, Google Play, FandangoNow) June 1 "Plan B," on Hulu "Borat Supplemental Reportings," on Amazon Prime Video "Dead Pigs," on Laemmle’s Virtual Cinema Our FilmWeek critics have been curating personal lists of their favorite TV shows and movies to binge-watch during self-quarantine. You can see recommendations from each of the critics and where you can watch them here. Guests: Christy Lemire, film critic for KPCC, RogerEbert.com and co-host of the ‘Breakfast All Day’ podcast; she tweets @christylemire Lael Loewenstein, film critic for KPCC and film columnist for the Santa Monica Daily Press; she tweets @LAELLO Charles Solomon, film critic for KPCC, Animation Scoop and Animation Magazine This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
ace AI Healthcare Co. With 'Bright' Outlook Closes Placement By www.streetwisereports.com Published On :: Thu, 31 Oct 2024 00:00:00 PST Source: Streetwise Reports 10/31/2024 Healthcare artificial intelligence (AI) company Treatment.com AI Inc. (TRUE:CSE; TREIF:OTCMKTS; 939:FRA) has closed a non-brokered private placement for aggregate gross proceeds of CA$1.95 million. Find out why one analyst says the stock is a Strong Buy and worth going overweight on.Healthcare artificial intelligence (AI) company Treatment.com AI Inc. (TRUE:CSE; TREIF:OTCMKTS; 939:FRA) announced that it has closed a non-brokered private placement for aggregate gross proceeds of CA$1.95 million. A total of 2,138,766 special warrants of the company were offered at CA$0.75 per special warrant with proceeds of CA$1.6 million. The company also said 466,666 units of the company were offered at CA$0.75 per unit for proceeds of CA$349,999.50. The company said it intends to use the proceeds for working capital purposes. "We are very encouraged by the support from our investors with their overwhelming response to the financing and the subsequent over-subscription," Chief Executive Officer Dr. Essam Hamza said. "This money will help expedite our aggressive growth plans over the next year." Technical Analyst Clive Maund noted on October 9* that the outlook for the company is "outstandingly bright" because it has "positioned itself to revolutionize the healthcare industry using AI and advanced machine learning technologies." The company "is set to transform the current archaic system so that no longer do patients have to sit for hours in waiting rooms to see a doctor or doctors, and doctors and other healthcare professionals have to suffer a crushing burden of often unnecessary patient visits and tedious repetitive bureaucracy," he wrote. "Treatment AI's platform will take care of most of it." Healthcare Professionals Worldwide Contribute to AI Engine Treatment.com AI said it is a company utilizing AI and best clinical practices with a goal to positively improve the healthcare sector and impact current inefficiencies and challenges. With the input of hundreds of healthcare professionals globally, Treatment.com AI said it has built a comprehensive, personalized healthcare AI engine called the Global Library of Medicine (GLM). With more than 10,000 expert medical reviews, the GLM is designed to provide tested clinical information and support to all healthcare professionals, as well as providing recommended tests (physical and lab), X-rays, and billing codes. According to the company, the GLM will help healthcare professionals (doctors, nurses, and pharmacists) reduce administrative burdens, creating more time for face-to-face patient appointments. "AI is set to expedite and streamline the healthcare industry, making it vastly more efficient for the benefit of both healthcare professionals and patients," Maund noted. The Catalyst: A 'Profound Transformation' in the Industry AI has an important role to play in the healthcare offerings of the future, a 2019 report from the National Center of Biomechanical Medicine listed in the National Library of Medicine said. "In the form of machine learning, it is the primary capability behind the development of precision medicine, widely agreed to be a sorely needed advance in care." Healthcare organizations are increasingly turning to the technology to address both clinical and administrative challenges. The combination of generative AI, as noted by Appinventiv in September, and operational tools like those developed by Treatment.com AI are driving this transformation. Generative AI is "catalyzing a profound transformation within the healthcare industry" by generating synthetic data, predicting patient outcomes, and optimizing treatment plans, all of which revolutionize clinical decision-making processes, Appinventiv reported. This aligns with Treatment.com AI's announced collaboration with SPRYT on September 17 whereby integrating SPRYT’s AI receptionist "Asa" with its GLM has the goal of enhancing patient access to healthcare while reducing administrative burdens. A CBC report from September 16 said real-world applications of AI in healthcare are already showing promising results. Dr. Muhammad Mamdani, co-author of a study on the topic, expressed optimism about AI's ability to "complement clinicians' own judgment and lead to better outcomes for fragile patients." According to a report by Markets and Markets, the global AI in healthcare market in total was valued at US$20.9 billion this year and will reach an estimated US$148.4 billion by 2029, a compound annual growth rate (CAGR) of 48.1%. "The growth of AI in the healthcare market is driven by the generation of large and complex healthcare datasets, the pressing need to reduce healthcare costs, improving computing power and declining hardware costs, and the rising number of partnerships and collaborations among different domains in the healthcare sector, and growing need for improvised healthcare services due to imbalance between healthcare workforce and patients," the report said. Analyst: A 'Genuine Breakout Soon' for Stock Maund said its stock charts are also looking "very positive indeed" for the company. Of particular note is the big upleg late in June and early in July on persistent heavy volume, which broke the price clear above the May high and drove volume indicators steeply higher," the analyst noted. [OWNERSHIP_CHART-10594] "This is very bullish price/volume action, especially as the volume indicators have not just held up but have actually advanced as the price has reacted back in a normal manner from the early July high to arrive at a support level where it has stabilized above the 200-day moving average in readiness for renewed advance, so the correction looks like a large bull Pennant that, as it is now closing up, promises renewed advance soon," continued Maund, who said holders should stay long and rated the stock a Strong Buy that "is thought worth going overweight on." "The June-July rally must be classed as a 'preliminary' breakout," he noted. "But that said, the exceptionally bullish price/volume action of recent months does promise a genuine breakout soon that looks set to lead to a sustained and substantial uptrend." Ownership and Share Structure According to Sedi.ca, insiders own approximately 8% of Treatment.com AI. Retail investors own the remaining 92%. The company has 48.84 million outstanding common shares and has 41.3 million free float traded shares. As of October 31, the market cap is approximately CA$31.75 million. Over the past 52 weeks, the company traded between CA$0.355 and CA$1.11 per share. Sign up for our FREE newsletter at: www.streetwisereports.com/get-newsImportant Disclosures: Treatment.com AI has a consulting relationship with Street Smart an affiliate of Streetwise Reports. Street Smart Clients pay a monthly consulting fee between US$8,000 and US$20,000. As of the date of this article, officers and/or employees of Streetwise Reports LLC (including members of their household) own securities of Treatment.com AI. Steve Sobek wrote this article for Streetwise Reports LLC and provides services to Streetwise Reports as an employee. This article does not constitute investment advice and is not a solicitation for any investment. Streetwise Reports does not render general or specific investment advice and the information on Streetwise Reports should not be considered a recommendation to buy or sell any security. Each reader is encouraged to consult with his or her personal financial adviser and perform their own comprehensive investment research. By opening this page, each reader accepts and agrees to Streetwise Reports' terms of use and full legal disclaimer. Streetwise Reports does not endorse or recommend the business, products, services or securities of any company. This article does not constitute medical advice. Officers, employees and contributors to Streetwise Reports are not licensed medical professionals. Readers should always contact their healthcare professionals for medical advice. For additional disclosures, please click here. * Disclosure for quotes from the Clive Maund source October 9, 2024 For the quote (sourced on October 9, 2024), the Company has paid Street Smart, an affiliate of Streetwise Reports, US$1,500. Author Certification and Compensation: [Clive Maund of clivemaund.com] is being compensated as an independent contractor by Street Smart, an affiliate of Streetwise Reports, for writing the article quoted. Maund received his UK Technical Analysts’ Diploma in 1989. The recommendations and opinions expressed in the article accurately reflect the personal, independent, and objective views of the author regarding any and all of the designated securities discussed. No part of the compensation received by the author was, is, or will be directly or indirectly related to the specific recommendations or views expressed. Clivemaund.com Disclosures The quoted article represents the opinion and analysis of Mr. Maund, based on data available to him, at the time of writing. Mr. Maund's opinions are his own, and are not a recommendation or an offer to buy or sell securities. As trading and investing in any financial markets may involve serious risk of loss, Mr. Maund recommends that you consult with a qualified investment advisor, one licensed by appropriate regulatory agencies in your legal jurisdiction and do your own due diligence and research when making any kind of a transaction with financial ramifications. Although a qualified and experienced stock market analyst, Clive Maund is not a Registered Securities Advisor. Therefore Mr. Maund's opinions on the market and stocks cannot be only be construed as a recommendation or solicitation to buy and sell securities. ( Companies Mentioned: TRUE:CSE; TREIF:OTCMKTS;939:FRA, ) Full Article
ace The 5 Biggest Pains IT Faces with Telecommuting and How to Solve Them By www.itsecurity.com Published On :: Wed, 25 Nov 2009 20:44:34 +0000 On-Demand Webinar > >> Watch Now! SPONSORED BY: HP Imaging and Printing GroupBy 2013, there will be 10 million telecommuters in the U.S., according to research firm IDC¹. Watch this FREE... Full Article
ace Jr. Miner Set to Resume Pursuit of Placer Gold-Bearing Channel By www.streetwisereports.com Published On :: Thu, 07 Nov 2024 00:00:00 PST Omineca Mining and Metals Ltd. (OMM:TSX.V; OMMSF:OTCMKTS) announced it is set to restart mining and gravel extraction at its Wingdam placer gold project in British Columbia's historic Cariboo Mining District. Read why one expert thinks its new methods are a key to possible success. Full Article OMM:TSX.V; OMMSF:OTCMKTS
ace Search Efforts Remain Paused In Surfside As Officials Race To Prepare Demolition By www.scpr.org Published On :: Sun, 04 Jul 2021 13:00:11 -0700 An American flag flies from a crane on July 4th next to the Champlain Towers South condo building, where scores of victims remain missing more than a week after it partially collapsed.; Credit: Lynne Sladky/AP Dave Mistich | NPRPreparations continue in Surfside, Fla. for the demolition of a portion of the Champlain Towers South still standing after much of the building collapsed in the early morning hours on June 24. Miami-Dade County Mayor Daniella Levine Cava told reporters on Sunday that bringing down the remainder of the collapsed condominium in a controlled fashion is crucial to the safety of search and rescue teams. Those teams have paused their work so demolition can take place. Levine Cava said officials are still unsure of a specific time that the demolition will occur. "Our top priority is that the building can come down as soon as possible — no matter what time that occurs — and safely as possible," Levine Cava said at a morning news conference. The number of confirmed dead from the collapse remains at 24. The number of people unaccounted for remains at 121. Preparations for the demolition come as Tropical Storm Elsa is tracking towards southern Florida. The storm is expected to hit the area Monday and Tuesday. The instability of the building could be made worse by the storm, which is expected to bring strong winds and rain at the beginning of the week. Mayor Levine Cava said that as soon as the demolition has occurred, search and rescue efforts are expected to resume. Ahead of Elsa's arrival in Florida, Gov. Ron DeSantis issued a state of emergency Saturday for 15 counties, including Miami-Dade. On Sunday, he expressed optimism that the Surfside area may be spared from the worst of the storm. "We could see some gusts, but it has tracked west over the last day and a half — more so than the initial forecast," he said. "So, we'll just keep watching that." Copyright 2021 NPR. To see more, visit https://www.npr.org. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
ace Catawba Industrial Commons to create manufacturing, distribution and warehousing space for industries By www.catawbacountync.gov Published On :: Thu, 7 Apr 2011 10:22:00 EST RealtyAnalytix Advisors, LLC announces the introduction of Catawba Industrial Commons, a multi-tenant industrial campus offering the most attractive, affordable and functional manufacturing, distribution and warehousing space in the Greater Catawba County region. Full Article News Release FYI Please Choose
ace Race, Drugs And Sentencing At the Supreme Court By www.scpr.org Published On :: Mon, 14 Jun 2021 14:40:11 -0700 The U.S. Supreme Court has ruled that low-level crack cocaine offenders cannot benefit from a 2018 federal law.; Credit: J. Scott Applewhite/AP Nina Totenberg | NPRThe U.S. Supreme Court ruled Monday that some crack cocaine offenders sentenced to harsh prison terms more than a decade ago cannot get their sentences reduced under a federal law adopted with the purpose of doing just that. At issue in the case was the long and now notorious history of sentencing under the 1986 Anti-Drug Abuse Act, which established harsh mandatory prison sentences based on the amount of drugs that the defendant possessed or sold. The triggering amount, however, was different for crack cocaine used most often by Black people, and powder cocaine, used most often by whites. Indeed, the ratio was 100-to-1, so that a five-year mandatory minimum penalty, for instance, was triggered by possession of 5 grams of crack, whereas the same penalty was triggered by 500 grams of powder cocaine. Nine years after enactment of these mandatory penalties, the U.S. Sentencing Commission found these disparities unjustified, and by 2010 Congress passed new legislation to reduce the disparity to from 100-to-1 to 18-to-1. But that left everyone previously sentenced under the old regime stuck with the harsher penalties. And in 2018, Congress passed and then-President Donald Trump signed into law a bipartisan bill to make the new ratios retroactive. That allowed thousands of crack offenders who were serving prison sentences to be resentenced under the new law and new sentencing guidelines, with an average reduction of six years in their sentences. But while the new law allowed even drug kingpins to be resentenced, some prisoners were left out — a number now in the low hundreds, according to the Biden administration. One of those was the prisoner at the center of Monday's case, Tarahrick Terry, sentenced to nearly 16 years in prison for possession with intent to distribute 3.9 grams of crack cocaine, less than the weight of four paper clips. He claimed that his sentence, like others, should be revised in light of the 2018 law, but the Supreme Court rejected that argument. Writing for the court, Justice Clarence Thomas noted that Terry had been sentenced under a section of the law that applied to "career criminals," those who had two previous drug or violent convictions. Terry did, in fact, have two previous drug convictions as a teenager — for which he spent 120 days in jail. So, as Thomas observed, Terry was sentenced under the provision of the law that was not included in the 2018 revision. Democratic Sens. Dick Durbin and Cory Booker and Republican Sens. Charles Grassley and Mike Lee — the sponsors and drafters of the act — warned in a friend of the court brief filed in the case that excluding low-level offenders from the act's reforms would mean ignoring its purpose. "Had Congress intended to exclude individuals with low-level crack offenses from relief," they wrote, "Congress of course could have done so." Thomas and the rest of the court rejected that argument. "We will not convert nouns to adjectives and vice versa," wrote Thomas, which is what he said Congress was asking the court to do. The 2018 law, he said, did not change the section of the law under which Terry was sentenced, so the argument that the revision modified the whole law just wouldn't wash. Although the decision was unanimous, it included an interesting back-and-forth about race between Thomas, the only African American on the court and arguably its most conservative member, and Justice Sonia Sotomayor, its only Hispanic and arguably most liberal member. Specifically, their disagreement was about the role race played in the adoption of mandatory minimum sentences that were wildly more harsh for possession or sale of crack cocaine than for powder cocaine. As Thomas saw it, the 100-to-1 ratio for crack cocaine was enacted "with near unanimity" by Congress, because of two concerns expressed by Black leaders at the time: First, that crack "was fueling crime against residents in the inner cities who were predominantly black," and second that "prosecutors were not taking these kinds of crimes seriously enough because the victims were disproportionately black." Moreover, he quoted a 1995 U.S. Sentencing Commission report that concluded the 100-to-1 ratio created "a perception of unfairness," even though there was no reason to believe that "racial bias or animus undergirded the initiation of the federal sentencing law." In a concurring opinion, Sotomayor declined to join that part of Thomas' opinion, because "it includes an unnecessary, incomplete, and sanitized history of the 100-to-1 ratio," including "race-based myths" about crack cocaine. "The full history is far less benign," she said. It ignores the fact that Black leaders were promised federal investment in longer term solutions — including in job training and education programs — but that help never arrived. Nor, she noted, did the majority opinion mention that the bill containing the 100-to-1 ratio was "rush[ed] through to pass dramatic drug legislation before the midterm elections," and that the legislative history of the bill offered no justification for the 100-to-1 ratio, "save that it was the highest ratio proposed." "Most egregiously, the Court barely references the ratio's real-world impact" — one so profound and unjustified, as demonstrated by subsequent research — "that the [Congressional Black Caucus] came together in unanimous and increasingly vocal opposition to the law." In the end, however, Sotomayor agreed that "unfortunately," the reading of the law urged by the primary sponsors of the 2018 revision is not born out by the text. "Fortunately," she added, "Congress has numerous tools to right this injustice." As for prisoner Terry, who brought Monday's case, he is now in the final months of his prison term, and according to the Biden administration is serving his remaining time in home confinement. Copyright 2021 NPR. To see more, visit https://www.npr.org. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
ace New Jersey Prisoners Will Be Placed Based On Gender Identity Under A New Policy By www.scpr.org Published On :: Tue, 29 Jun 2021 05:20:09 -0700 Sonia Doe, pictured here, reached a settlement with the New Jersey Department of Corrections that will make it standard for the state to assign jail stays to a person based on their gender identity, not the sex assigned at birth.; Credit: /The ACLU New Jersey Jaclyn Diaz | NPRFor 18 months, Sonia Doe faced humiliating strip searches in front of male guards. Male prisoners exposed themselves to her. She faced sexual harassment, discrimination and physical threats from corrections officers and inmates alike. Doe, who is transgender, has lived her life publicly as a woman since 2003. Yet, Doe — a pseudonym used for her lawsuit — was transported to four different men's prisons across New Jersey from March 2018 to August 2019. It took a lawsuit filed that August for Doe to finally be transported to a woman's prison weeks later. As part of the settlement for that lawsuit Tuesday, the New Jersey Department of Corrections will now make it customary for prisoners who identify as transgender, intersex or nonbinary to be assigned a jail stay in line with their gender identity — not with the sex they were assigned at birth. Tuesday's news marks a major policy shift for the New Jersey Department of Corrections. Research has shown that transgender inmates face particular danger while in prison, but few states offer them protections like these. Connecticut and California passed laws in 2018 and 2020, respectively, that require transgender inmates to be assigned prisons based on their gender identity. Rhode Island, New York City and Massachusetts also have housed inmates based on their gender identity. "When I was forced to live in men's prisons, I was terrified I wouldn't make it out alive. Those memories still haunt me," Doe said in a statement announcing the settlement. "Though I still have nightmares about that time, it's a relief to know that as a result of my experience the NJDOC has adopted substantial policy changes so no person should be subjected to the horrors I survived." Doe faced harassment, discrimination and abuse According to court documents reviewed by NPR, Doe was placed in men's prisons in spite of the state's Department of Corrections knowing she was a transgender woman. Clear documentation, including her driver's license, showed her gender identity, but Doe was still forced to remain in men's prisons. In addition to facing physical assaults and verbal and sexual harassment in prison, she was also forced to remain in solitary confinement for long stretches. Corrections staff would refer to her as a man and address her using male pronouns, according to her complaint. She also was denied gender-appropriate clothing items and had difficulty receiving her hormone therapy regularly and on time. The settlement forces agency-wide changes The new policy will require staff to use appropriate pronouns, and prohibits harassment and discrimination based on gender identity. As part of the settlement in the Doe case, all New Jersey state corrections officers, regardless of rank or facility, will have to sign an acknowledgement that they have read the policy. The agency also will provide targeted training on the changes. The Department of Corrections also said it would guarantee gender-affirming undergarments, clothing, and other property for the inmates. Medical and mental health treatment, including gender-affirming care, also will be provided "as medically appropriate." Inmates who are transgender also will be given the opportunity to shower separately and won't have to go through a strip searches or pat downs by an officer of the opposite sex. "The settlement of this lawsuit puts in place systemic, far-reaching policy changes to recognize and respect the gender identity of people in prison," said Tess Borden, ACLU-NJ Staff Attorney. ACLU New Jersey represented Doe along with Robyn Gigl of Gluck Walrath LLP. As part of the settlement, the New Jersey Department of Corrections have agreed to pay Doe $125,000 in damages and $45,000 in separate attorney's fees. Longstanding issues at New Jersey prisons Doe was not the only transgender inmate who has faced frightening treatment in New Jersey prisons. Rae Rollins, a transgender woman, filed a lawsuit in March saying she was one of several inmates attacked by corrections officers earlier this year at the scandal-plagued Edna Mahan Correctional Facility for Women. In January, several women were severely beaten by corrections officers at that facility. Ten correctional police officers have been charged in connection to the alleged beatings of prisoners. Rollins sought a transfer to a different women's prison after the incident, but was moved to a men's prison instead. Rollins has since been moved to an out-of-state prison, according to the state's records. Earlier this month, New Jersey's embattled corrections commissioner announced his resignation from his post — a day after Gov. Phil Murphy said the state would close the Edna Mahan Correctional Facility. Copyright 2021 NPR. To see more, visit https://www.npr.org. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
ace The Supreme Court Leaves The CDC's Moratorium On Evictions In Place By www.scpr.org Published On :: Tue, 29 Jun 2021 18:40:10 -0700 The U.S. Supreme Court; Credit: Jose Luis Magana/AP Nina Totenberg and Chris Arnold | NPR Updated June 29, 2021 at 7:53 PM ET The U.S. Supreme Court on Tuesday refused to lift a ban on evictions for tenants who have failed to pay all or some rent during the coronavirus pandemic. By a 5-to-4 vote, the court left in place the nationwide moratorium on evictions put in place by the Centers for Disease Control and Prevention, and which was challenged by the Alabama Association of Realtors. Justice Brett Kavanaugh, who cast the fifth and deciding vote, wrote in a concurring opinion that he voted not to end the eviction program only because it is set to expire on July 31, "and because those few weeks will allow for additional and more orderly distribution" of the funds that Congress appropriated to provide rental assistance to those in need because of the pandemic. He added, however, that in his view Congress would have to pass new and clearer legislation to extend the moratorium past July 31. The Biden administration has said it does not plan to extend the moratorium any further. Also voting to leave the program intact until July 31 were Chief Justice John Roberts and Justices Stephen Breyer, Sonia Sotomayor and Elena Kagan. Dissenting were Justices Clarence Thomas, Samuel Alito, Neil Gorsuch and Amy Coney Barrett. They would have blocked the moratorium from continuing for another month. The decision comes at a time when roughly 7 million American households say they are still behind on their rent. Many suffered job loss during the pandemic. And delays have stopped more than $46 billion in congressionally approved rental assistance from reaching many people facing eviction who need it. Housing groups have been warning that pulling the CDC eviction protections away from people before that congressional aid can reach them would spark a wave of evictions that could otherwise be avoided. Evictions often send families into a downward financial spiral. It can be very hard to find another place to live with an eviction on your record. People can end up living in their cars, motels when they can afford it or in homeless shelters. Research has found there's also a disparate impact on people of color. During the pandemic, public health experts have warned — and research showed — that evictions result in more coronavirus cases because people end up living in more crowded situations, where they are more likely to catch or spread the disease. At the outset of the pandemic, Congress adopted a limited, temporary moratorium on evictions. After Congress' moratorium lapsed last July, however, then-President Donald Trump asked the CDC to step in and issue a new eviction ban, which it did in September. In March, President Biden extended that ban, which was to expire at the end of June. Then on June 24, the Biden administration notified the Supreme Court that it had extended the moratorium until July 31. It also said that barring a rise in coronavirus cases, the "CDC does not plan to extend the Order further." Landlords have long argued that the CDC order was an overreach and that the agency doesn't have the power to, in effect, take control over their own properties away from them. A group of the nation's landlords challenged the eviction ban and on May 5, a federal judge in Washington, D.C., ruled that the CDC has exceeded its authority. The judge, however, blocked her own decision from going into effect to give the government time to appeal. On June 2, the U.S. Court of Appeals for the District of Columbia upheld the stay, prompting the landlords to go to the Supreme Court. Keeping the status quo in place "will prolong the severe financial burdens borne by landlords under the moratorium for the past nine months," the property owners said. Copyright 2021 NPR. To see more, visit https://www.npr.org. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
ace Young Adults Ages 18 to 26 Should Be Viewed as Separate Subpopulation - In ‘Critical Development Period,’ They Face Economic and Social Challenges While Brain Is Still Maturing, Says New Report By Published On :: Thu, 30 Oct 2014 05:00:00 GMT Young adults ages 18-26 should be viewed as a separate subpopulation in policy and research, because they are in a critical period of development when successes or failures could strongly affect the trajectories of their lives, says a new report from the Institute of Medicine and National Research Council. Full Article
ace Climate Intervention Is Not a Replacement for Reducing Carbon Emissions - Proposed Intervention Techniques Not Ready for Wide-Scale Deployment By Published On :: Tue, 10 Feb 2015 06:00:00 GMT There is no substitute for dramatic reductions in greenhouse gas emissions to mitigate the negative consequences of climate change, a National Research Council committee concluded in a two-volume evaluation of proposed climate-intervention techniques. Full Article