A Water Rich Crystalline Hydrate Formed by 1,4,7,10-Tetraazacyclododecane, Siliconhydrofluoric Acid and Water: Structure and Properties

Novel complementary associations have been found in a crystalline ternarycomplex of the macrocyclic tetramine, [12]aneN₄ (e.g. =1,4,7,10-tetraazacyclododecane, cyclen, L), hexafluorosilicate ions andwater (I). The final compound belongs to the host—guest type with themacrocycle as the host (H), the inorganic entity as a guest (G) and watermolecules. It was characterized by X-ray techniques, IR spectroscopy andthermogravimetric study. X-ray crystal analysis revealed that the structureis built of the charged entities, with a 3D-network uniting thequadriprotonated form of the macrocycle, hexafluorosilicate as counterionsand lattice water molecules viaN—H⁺...F^-,N—H⁺...O(w),OH...F^- and O—-H(w)...O(w)hydrogen bonds. The overall complex stoichiometry comprises fourSiF₆ ^2- anions and seven water molecules per two[LH₄]⁴⁺ cations. Crystals of (I) are monoclinic,space group P2₁/n with a = 14.585(3), b = 16.384(2), c =16.500(3) Å, = 92.84(3)°, V = 3938(1)ų and Z = 8 forC₈H₃₁F₁₂N₄O_3.5Si₂.     

[1,2,5]Oxadiazolo[3,4-d]pyridazine 1,5,6-trioxides: efficient synthesis via the reaction of 3,4-bis(hydroxyimino)methyl)-1,2,5-oxadiazole 2-oxides with a mixture of concentrated nitric and trifluoroacetic acids and structural characterization

An efficient synthesis of [1,2,5]oxadiazolo[3,4-d]pyridazine 1,5,6-trioxides (1) from 3,4-bis(hydroxyimino)methyl)-1,2,5-oxadiazole 2-oxides using a mixture of concentrated nitric and trifluoroacetic acids has been developed. The scope of the unconventional reaction was established. The 4,7-dinitro[1,2,5]oxadiazolo[3,4-d]pyridazine 1,5,6-trioxide 1f represents a new high energy compound, unfortunately with low thermal stability. The parent [1,2,5]oxadiazolo[3,4-d]pyridazine 1,5,6-trioxide 1c was studied by single-crystal X-ray diffraction analysis which revealed a planar molecule with an unusually long intracyclic NN bond of 1.668(5)?Å and unexpected exo-cyclic bond angles at the nitroxyl nitrogen atoms. In the crystal, the molecules of 1c are bound to each other by strong π-π stacking and CH?O hydrogen bonding interactions into a three-dimensional framework that results in a high crystal density of 1.833?gcm^?3.     

First platinum(ii)–alkaline-earth acetate-bridged complexes Ptii(m-OAc)4Mii(AcOH)4 (M = Ca,Sr, Ba)

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Dinuclear copper(ii) complex with novel N,N’,N”,O-tetradentate Schiff base ligand containing trifluoromethylpyrazole and hydrazone moieties

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The features of hydrogen ignition over Pt and Pd foils at low pressures

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Synthesis and crystal structure of a new hybrid methylammonium iodocuprate

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Site‐Specific Dual Labeling of Proteins on Cysteine Residues with Chlorotetrazines

Dual‐labeled biomolecules constitute a new generation of bioconjugates with promising applications in therapy and diagnosis. Unfortunately, the development of these new families of biologics is hampered by the technical difficulties associated with their construction. In particular, the site specificity of the conjugation is critical as the number and position of payloads can have a dramatic impact on the pharmacokinetics of the bioconjugate. Herein, we introduce dichlorotetrazine as a trivalent platform for the selective double modification of proteins on cysteine residues. This strategy is applied to the dual labeling of albumin with a macrocyclic chelator for nuclear imaging and a fluorescent probe for fluorescence imaging.     

Formal Nickelate(−I) Complexes Supported by Group 13 Ions

Formal nickelate(?I) complexes bearing Group 13 metalloligands (M=Al and Ga) were isolated. These 17 e^? complexes were synthesized by one‐electron reduction of the corresponding Ni⁰→M^III precursors, and were investigated by single‐crystal X‐ray diffraction, EPR spectroscopy, and quantum chemical calculations. Collectively, the experimental and computational data support: 1) the strengthening of the Ni?M bond upon one‐electron reduction, and 2) the delocalization of the unpaired spin across the Ni and M atoms. An intriguing electronic configuration is revealed where three valence electrons occupy two σ‐type bonding interactions: Ni(3d )²→M and σ‐(Ni?M)¹. The latter is an unusual Ni?M σ‐bonding molecular orbital that comprises primarily the Ni 4p_z and M np_z/ns atomic orbitals.     

Periodically Arranged Arrays of Dendritic Pt Nanospheres Using Cage‐Type Mesoporous Silica as a Hard Template

Dendritic Pt nanospheres of 20 nm diameter are synthesized by using a highly concentrated surfactant assembly within the large‐sized cage‐type mesopores of mesoporous silica (LP‐FDU‐12). After diluting the surfactant solution with ethanol, the lower viscosity leads to an improved penetration inside the mesopores. After Pt deposition followed by template removal, the arrangement of the Pt nanospheres is a replication from that of the mesopores in the original LP‐FDU‐12 template. Although it is well known that ordered LLCs can form on flat substrates, the confined space inside the mesopores hinders surfactant self‐organization. Therefore, the Pt nanospheres possess a dendritic porous structure over the entire area. The distortion observed in some nanospheres is attributed to the close proximity existing between neighboring cage‐type mesopores. This new type of nanoporous metal with a hierarchical architecture holds potential to enhance substance diffusivity/accessibility for further improvement of catalytic activity.     

Early box office prediction in China’s film market based on a stacking fusion model

Artificial intelligence has been increasingly employed to improve operations for various firms and industries. In this study, we construct a box office revenue prediction system for a film at its early stage of production, which can help management overcome resource allocation challenges considering the significant investment and risk for the whole film production. In this research, we focus on China’s film market, the second-largest box office in the world. Our model is based on data regarding the nature of a film itself without word-of-mouth data from social platforms. Combining extreme gradient boosting, random forest, light gradient boosting machine, k-nearest neighbor algorithm, and stacking model fusion theory, we establish a stacking model for film box office prediction. Our empirical results show that the model exhibits good prediction accuracy, with its 1-Away accuracy being 86.46%. Moreover, our results show that star influence has the strongest predictive power in this model.