crystal structure

The exfoliation of nonlayered materials to mono- or few-layers is of growing interest to realize their full potential for various applications. Nickel cobaltite (NiCo2 O4 ), which has a spinel crystal structure, is one such nonlayered material with unique properties and has been utilized in a wide range of applications. Herein, NiCo2 O4 is synthesized from NiCo2 - Layered double hydroxides using a topochemical conversion technique. Subsequently, bulk NiCo2 O4 is exfoliated into mono- or few-layer nickel cobaltene nanosheets using liquid-phase exfoliation in various low-boiling point solvents...

Nontraumatic pathologic conditions of the craniovertebral junction encompass a range of conditions affecting the complex anatomy of this region without direct physical injury. These conditions include congenital syndromes that predispose individuals to ligamentous laxity, potentially leading to instability. Additionally, rare but noteworthy cases such as Grisel syndrome, a cause of pediatric torticollis, may arise without a traumatic trigger. Inflammatory diseases, including rheumatoid arthritis, ankylosing spondylitis, and crystal deposition, can lead to cervical instability and spinal cord compression...

The dynamic nature of calamitic liquid crystals is exploited to perform isothermal phase transitions driven by dynamic covalent chemistry. For this purpose, nematic (N) arrays based on aldehyde 1 were treated with different amines (A-E) in an on-surface process, which resulted in different isothermal phase transitions. These phase transformations were caused by in-situ imination reactions and are dependent on the nature of the added amine. Transitions from the N to crystal (1A, 1E), isotropic (1B), and smectic (Sm) (1C, 1D) phases were achieved, while the resulting materials feature thermotropic liquid crystal behavior...

The development of porous materials with flexible-robust characteristics shows some unique advantages to target high performance for gas separation, but remains a daunting challenge to achieve so far. Herein, we report a carboxyl-based hydrogen-bonded organic framework (ZJU-HOF-8a) with flexible-robust porosity for efficient purification of natural gas. ZJU-HOF-8a features a four-fold interpenetrated structure with dia topology, wherein abundant supramolecular entanglements are formed between the adjacent subnetworks through weak intermolecular hydrogen bonds...

Creating structural defects in a controlled manner within metal-organic frameworks (MOFs) poses a significant challenge for synthesis, and concurrently, identifying the types and distributions of these defects is also a formidable task for characterization. In this study, we demonstrate that by employing 2-sulfonylterephthalic acid as the ligand for synthesizing Zr (or Hf)-based MOFs, a crystal phase transformation from the common fcu topology to the rare jmt topology can be easily facilitated using a straightforward mixed-solvent strategy...

Highly connected molecular building blocks (MBBs) have been demonstrated to play a crucial role in reticular chemistry, particularly in predicting the topologies of metal-organic frameworks. Metal phosphonate clusters exhibit considerable advantages in constructing high-connectivity MBBs, owing to the multiple coordination modes offered by phosphonic ligands. Herein, four metal (M = CoII , MnII ) phosphonocarboxylate frameworks (CoPCF-1,2 and MnPCF-1,2) were successfully prepared under solvothermal conditions by utilizing the phosphonocarboxylic ligand, 4'-phosphonobiphenyl-3,5-dicarboxylic acid (H4 pbpdc), and their structural characterization was performed using single-crystal X-ray diffraction (SCXRD)...

Recent experimental findings reveal nonconventional fluorescence emission in biological systems devoid of conjugated bonds or aromatic compounds, termed non-aromatic fluorescence (NAF). This phenomenon is exclusive to aggregated or solid states and remains absent in monomeric solutions. Previous studies focused on small model systems in vacuum show that the carbonyl stretching mode along with strong interaction of short hydrogen bonds (SHBs) remains the primary vibrational mode explaining NAF in these systems...

Two-dimensional covalent organic frameworks (2D COFs), featuring a large surface area and 1D pore structure, serve as promising scaffolds for anchoring functional guest compounds, which can significantly enhance their performance and thus expand their potential applications. Postsynthetic strategy for COFs functionalization is versatile but challenging because of their tedious procedure with high time and energy consumption, generation of excess reaction waste, and damage to COF crystallinity. We report in this work a general strategy for the synthesis of inorganic nanocompound-functionalized COF composites in a one-pot way...

Highly ordered, network-nanostructured polymers offer compelling geometric features and application potential. However, their practical utilization is hampered by the restricted accessibility. Here, we address this challenge using commercial Pluronic surfactants with a straightforward modification of tethering polymerizable groups. By leveraging lyotropic self-assembly, we achieve facile production of double-gyroid mesophases, which are subsequently solidified via photoinduced cross-linking. The exceptionally ordered periodicities of Ia 3 d symmetry in the photocured polymers are unambiguously confirmed by synchrotron small-angle X-ray scattering (SAXS), which can capture single-crystal-like diffraction patterns...

Curcuminoids and their complexes continue to attract attention in medicinal chemistry, but little attention has been given to their metabolic derivatives. Here, the first examples of (arene)Ru(II) complexes with curcuminoid metabolites, tetrahydrocurcumin (THcurcH), and tetrahydrobisdesmethoxycurcumin (THbdcurcH) were prepared and characterized. The neutral complexes [Ru(arene)(THcurc)Cl] and [Ru(arene)(THbdcurc)Cl] (arene = cymene, benzene, or hexamethylbenzene) were characterized by NMR spectroscopy and ESI mass spectrometry, and the crystal structures of the three complexes were determined by X-ray diffraction analysis...

Atomically precise nanoclusters hold promise for supramolecular assembly and (opto)electronic- as well as magnetic materials. Herein, this work reports that treating palladium(0) precursors with a triphosphirane affords strongly colored Pd8 (PDip)6 that is fully characterized by mass spectrometry, heteronuclear and Cross-Polarization Magic-Angle Spinning (CP-MAS) NMR-, infrared (IR), UV-vis, and X-ray photoelectron (XP) spectroscopies, single-crystal X-Ray diffraction (sc-XRD), mass spectrometry, and cyclovoltammetry (CV)...

The energy loss induced open-circuit voltage (VOC ) deficit hampers the rapid development of state-of-the-art organic solar cells (OSCs), therefore, it is extremely urgent to explore effective strategies to address this issue. Herein, a new volatile solid additive 1,4-bis(iodomethyl)cyclohexane (DIMCH) featured with concentrated electrostatic potential distribution is utilized to act as a morphology-directing guest to reduce energy loss in multiple state-of-art blend system, leading to one of highest efficiency (18...

A coupled ring-waveguide structure is at the core of bosonic wave-based information processing systems, enabling advanced wave manipulations such as filtering, routing, and multiplexing. However, its miniaturization is challenging due to momentum conservation issues in rings with larger curvature that induce significant backscattering and radiation leakage and hampering stable operation. Here, we address it by taking an alternative approach of using topological technology in wavelength-scale and microwave ring-waveguide coupled systems built in nanoengineered phononic crystals...

The fruits of Rosa roxburghii Tratt. are edible nutritional food with high medicinal value and have been traditionally used as Chinese folk medicine for a long time. In this study, 26 triterpenoids including four new pentacyclic triterpenoids, roxbuterpenes A-D ( 1 , 4 , 5 , and 24 ), along with 22 known analogues ( 2 , 3 , 6 - 23 , 25 , and 26 ), were isolated from the fruits of R. roxburghii . Their chemical structures were determined on the basis of extensive spectroscopic analyses (including IR, HRESIMS and NMR spectroscopy)...

The hydrated sodium salt of 1,2,3,4-tetrahydroquinolinedithiocarbamate ( 1) has been successfully synthesized and characterized using IR, NMR, and X-ray single crystal analysis. The υC-S and thioureide υC-N bands appeared at 1484 cm-1 and 968 cm-1 , respectively, in Na(H2O)3 + (thqdtc)- • H2 O. The notable NCS2 carbon signal emerged at 212 ppm, credited to unique nitrogen and sulfur-induced deshielding effects. Compound 1 crystallizes in the monoclinic system, P21/c space group, with dimensions a = 14...

The frequency and temperature-related dielectric relaxation and electrical conduction mechanisms in potassium-doped CaFe2 O4 oxide ceramic were investigated in this study throughout a temperature range of 313-673 K. The synthesis of the KCaFe2 O4 compound was accomplished through a solid-state reaction route. The X-ray diffraction pattern at room temperature confirmed that the ceramic KCaFe2 O4 crystallizes in the orthorhombic system with the Pbnm space group. The EDX analysis proved the absence of external elements...

Selenosalicylic acid ( ortho -HSeC6 H4 CO2 H), the heavy element congener of the widely studied thiosalicylic acid, was prepared by reaction of 2-carboxybenzenediazonium chloride (HO2 CC6 H4 N2 + Cl- ) with Na2 Se2 , followed by reduction of the resulting diselenide (SeC6 H4 CO2 H)2 with zinc and acetic acid. The coordination chemistry of the selenosalicylate ligand towards a variety of platinum(ii), palladium(ii), nickel(ii), gold(iii), gold(i), rhodium(iii), iridium(iii) and ruthenium(ii) centres was explored...

Many enzymes display non-Arrhenius behavior with curved Arrhenius plots in the absence of denaturation. There has been significant debate about the origin of this behavior and recently the role of the activation heat capacity (Δ C P ⧧ ) has been widely discussed. If enzyme-catalyzed reactions occur with appreciable negative values of Δ C P ⧧ (arising from narrowing of the conformational space along the reaction coordinate), then curved Arrhenius plots are a consequence. To investigate these phenomena in detail, we have collected high precision temperature-rate data over a wide temperature interval for a model glycosidase enzyme MalL, and a series of mutants that change the temperature-dependence of the enzyme-catalyzed rate...

Self-oscillating systems possess the ability to convert ambient energy directly into mechanical work, and new types of self-oscillating systems are worth designing for practical applications in energy harvesters, engines and actuators. Taking inspiration from the four-stroke engine. A concept for a self-rotating engine is presented on the basis of photothermally responsive materials, consisting of a liquid crystal elastomer (LCE) fiber, a hinge and a turnplate, which can self-rotate under steady illumination...

Systems featuring hard-core-soft-shell repulsive pair potentials can form ordered phases, where particles organize themselves in aggregates with nontrivial geometries. The dimer crystal formed by one such potential, namely, the hard-core plus generalized exponential model of order 4, has been recently investigated, revealing a low-temperature structural phase transition, with the onset of nematic ordering of the dimers. In the present work, we aim to characterize this phase transition via a mean-field theory, by which a detailed analysis of the low-temperature properties of the system is carried out under quadrupole approximation...