Manganese(II) Porphyrin and Cumyl Hydroperoxide: An Efficient Catalyst for Aryl-Pentazole C-N Bond Cleavage.

The selective cleavage of C-N bonds in N-containing compounds holds significant research value in organic synthesis, particularly for the synthesis of promising polynitrogen species. For instance, the discovery of the cyclo-pentazolate (cyclo-N ) anion in 2017 as a result of cleavage of the C-N bond has sparked interest within the field of high energy density materials. However, previous methods using ferrous glycinate and m-chloroperoxybenzoic acid generated the cyclo-N anion in a low yield of 19.

Electrochemical Oxidative Sulfonylation-Azidation of Alkenes.

A novel electrochemical oxidative sulfonylation-azidation of alkenes is accomplished by using sulfonyl hydrazide and trimethylsilyl azide (TMSN) for the one-pot and green synthesis of β-azidoarylsulfone, which involves the direct construction of new C-S and C-N bonds. Notably, neither exogenous oxidants/additives nor metal catalysts are required for this method. In addition, this electrochemical strategy features mild conditions and wide substrate scope and has been proved to be a radical pathway by mechanistic studies.

Phenolylazoindole scaffold for facilely synthesized and bis-functional photoswitches combining controllable fluorescence and antifungal properties using theoretical methods.

Functionalization is a major challenge for the application of photoswitches. With the aim to develop novel bis-functional azo photoswitches with stationary photophysical properties, a series of phenolylazoindole derivatives were designed, synthesized, and characterized NMR spectroscopy studies and high-resolution mass spectrometry (HRMS). Herein, UV/Vis and H NMR spectra revealed that the photostationary state (PSS) proportions for PSS and PSS were 76-80% and 68-81%, respectively.

Construction of a conjugated covalent organic framework for iodine capture.

Radioactive iodine in the nuclear field is considered very dangerous nuclear waste because of its chemical toxicity, high mobility and long radioactive half-life. Herein, a conjugated two-dimensional covalent organic framework, TPB-TMPD-COF, has been designed and synthesized for iodine capture. TPB-TMPD-COF has been well characterized by several techniques and showed long order structure and a large surface area (1090 m g).

Synthesis mechanism of four metallic Cyclo-N5- energetic materials: A theoretical Perspective.

In the past five years, over 20 types of cyclo-N5- energetic materials (EMs) have been successfully synthesized. Metallic cyclo-N5- EMs exhibit higher density and performance compared to non-metallic cyclo-N5- EMs. However, the mechanisms for such metallic cyclo-N5- EMs remain unexplored.

MiR-669b-5p inhibits the Alzheimer's disease development via regulation of CHEK2 in Neuro2a APPSwe/Δ9 cells.

DNA damage of neurons is accumulated in Alzheimer's disease (AD). DNA damage-activated Checkpoint kinase 2 (CHEK2) is evaluated in Aβ-treated Neuro2a APPSwe/Δ9 cells, and the miR-669b-5p was specifically down-regulated. However, the underlying molecular mechanism between CHEK2 and miR-669b-5p in Neuro2a APPSwe/Δ9 cells remains unclear.

Enhancing the Iodine Adsorption Capacity of Pyrene-Based Covalent Organic Frameworks by Regulating the Pore Environment.

Regulating of pore environment is an efficient way to improve the performance of covalent organic frameworks (COFs) for specific application requirements. Herein, the design and synthesis of two pyrene-based 2D COFs with -H or -Me substituents, TFFPy-PPD-COF and TFFPy-TMPD-COF are reported. Both of them show long order structure and high porosity, in which TFFPy-PPD-COF displays a larger pore volume and bigger BET surface area (2587 m g , 1.

Novel salicylic acid derivatives connecting to five-membered cycle through an acyl hydrazone bond as multi-stimuli responsive fluorescent smart materials with photoswitching properties.

In order to exploit novel multi-stimuli responsive fluorescent materials, a series of novel fluorescent molecules of salicylic acid derivatives were designed and synthesized via introducing pyrazole or cyclopentane to the salicylic acid scaffold through a special Schiff base-acylhydrazone, and the molecular structures of representative compounds A2 and A4 were verified via single crystal X-ray diffraction. All title molecules could exhibit obvious solvatofluorochromism from cyan to indigo in several solutions with different polarity. The fluorescence titration data exhibited compound A2 and complex A2-Cu with prime detection limits to Cu (0.

Autophagy‑regulating miRNAs: Novel therapeutic targets for Parkinson's disease (Review).

Parkinson's disease (PD) is a neurodegenerative disorder that has a high incidence during the aging process and is characterized by the loss of dopaminergic neurons in the substantia nigra, leading to motor dysfunctions and non‑motor symptoms. Impaired clearance and excessive accumulation of aberrantly modified proteins or damaged organelles, such as aggregated α‑synuclein and dysfunctional mitochondria, are regarded as the main causes of nigrostriatal neurodegeneration. As one of the major degradation pathways, autophagy can recycle these useless or toxic substances to maintain cellular homeostasis and it plays a crucial role in PD progression.

Palladium-catalyzed C(sp)-H nitrooxylation of masked alcohols.

A palladium-catalyzed β-C(sp)-H nitrooxylation of aliphatic alcohols with AgNO is reported. An 8-formylquinoline-derived oxime is installed as an -type directing group for sp C-H activation and selectfluor acts as the oxidant. The reaction tolerates a variety of functional groups and shows good selectivity for β-C-H nitrooxylation of alcohols.

Nitrogen-rich polycyclic pentazolate salts as promising energetic materials: theoretical investigating.

Pentazolate (cyclo-N) salts are nitrogen-rich compounds with great development potential as energetic materials due to their full nitrogen anion. However, the densities of available N salts are generally low, which seriously lowers their performances. It is necessary to screen out cyclo-N salts with high density.

Hydrogen Bond and π-π Stacking Interaction: Stabilization Mechanism of Two Metal -N -Containing Energetic Materials.

In recent years, -N has attracted extensive attention because all-nitrogen high-energy-density materials (HEDMs) have been expected to reach a TNT equivalent of over 3.0. However, for -N -containing HEDMs, the stabilization mechanism has remained enigmatic.

Symmetrical -N hydrogen bonds: stabilization mechanism of four non-metallic cyclo-pentazolate energetic salts.

Pairing different cations (R) to stabilize -N is the main synthesis path for non-metallic cyclo-pentazolate (-N) salts. As novel energetic materials (EMs), crystalline packing-force of -N salts has been a puzzle, and whether -N is protonated also is a controversial issue. In this paper, four non-metallic -N salts, PHAC, NHN, NHOHN, and NHN, are quantitatively studied by coupling first-principle method and bond-strength analyzing technology.

Thermal Decomposition Mechanism and Energy Release Law of Novel Cyclo-N-Based Nitrogen-Rich Energetic Salt.

Detonation energy of novel cyclo-N-based nitrogen-rich energetic salts is expected to exceed 3 times the equivalent of TNT. PHAC([(N)(HO)(NH)Cl]) was selected as the prototype to investigate the thermal decomposition reaction of PHAC in the solid phase for the first time by the first-principles molecular dynamics method. At about 38 ps, the final state of the reaction was reached.

Theoretical research about nonmetallic energetic salts with pentazolate anion.

Significant progress has been made in the synthesis of nitrogen-rich high-energy salts by pairing pentazolate anion (cyclo-N) with different cations since cyclo-N was synthesized. It is difficult to screen out cyclo-N salts with high energy quickly and effectively in experiment, while theoretical research can realize this goal. Herein, nineteen high-energy salts, which were composed of tetrazole cation and cyclo-N anion, were designed.

Theoretical Investigation of Energetic Salts with Pentazolate Anion.

Energetic salts based on pentazolate anion (-N) have attracted much attention due to their high nitrogen contents. However, it is an enormous challenge to efficiently screen out an appropriate cation that can match well with -N. The vertical electron affinity () of the cations and vertical ionization potential () of the anions for 135 energetic salts and some -N salts were calculated by the density functional theory (DFT).

Design of Energetic Materials Based on Asymmetric Oxadiazole.

A new family of asymmetric oxadiazole based energetic compounds were designed. Their electronic structures, heats of formation, detonation properties and stabilities were investigated by density functional theory. The results show that all the designed compounds have high positive heats of formation ranging from 115.

Molecule design and properties of bridged 2,2-bi(1,3,4-oxadiazole) energetic derivatives.

A series of bridged 2,2-bi(1,3,4-oxadiazole) energetic derivatives were designed and their geometrical structures, electronic structures, heats of formation, detonation properties, thermal stabilities and thermodynamic properties were fully investigated by density functional theory. The results showed that the -N group and the -N- bridge play an important role in improving heats of formation of these 2,2-bi(1,3,4-oxadiazole) derivatives. The calculated detonation properties indicated that the -NF group and the -N- bridge were very useful for enhancing the heats of detonation, detonation velocities and detonation pressures.

Corrigendum: Exploration of High-Energy-Density Materials: Computational Insight into Energetic Derivatives Based on 1,2,4,5-Tetrahydro-1,2,4,5-tetrazine.

[This corrects the article DOI: 10.1002/open.201800161.

Synthesis and Characterization of cyclo-Pentazolate Salts of NH, NHOH, NH, C(NH), and N(CH).

A breakthrough in polynitrogen chemistry was recently achieved by our bulk synthesis of (N)(HO)(NH)Cl in which the cyclo-pentazolate anions were stabilized extensively by hydrogen bridges with the NH and OH cations. Significant efforts have been carried out to replace these nonenergetic cations and the Cl anion by more energetic cations. In this paper, the metathetical syntheses of cyclo-pentazolate salts containing the simple nitrogen-rich cations NH, NHOH, NH, C(NH), and N(CH) are reported.

Exploration of High-Energy-Density Materials: Computational Insight into Energetic Derivatives Based on 1,2,4,5-Tetrahydro-1,2,4,5-tetrazine.

Density functional theory was employed to investigate ten 1,2,4,5-tetrahydro-1,2,4,5-tetrazine-based energetic materials. The heats of formation and detonation properties were calculated by isodesmic reactions and Kamlet-Jacobs equations. The thermal stabilities and impact sensitivities were also estimated to give a better understanding of their decomposition mechanism.

Microenvironment-Responsive Magnetic Nanocomposites Based on Silver Nanoparticles/Gentamicin for Enhanced Biofilm Disruption by Magnetic Field.

Biofilms contribute to persistent bacterial infections as well as formidable resistances to conventional antibiotics. However, it is still a major challenge to establish an advanced antibacterial nanoplatform that can efficiently eradicate biofilms while overcoming bacterial resistances. Taking advantage of the stimuli-responsive technique and the magnetic guidance strategy, here we present a highly efficient nanoplatform for planktonic inactivation and biofilm disruption.

Response to Comment on "Synthesis and characterization of the pentazolate anion -N in (N)(HO)(NH)Cl".

Huang and Xu argue that the -N ion in (N)(HO)(NH)Cl we described in our report is theoretically unfavorable and is instead protonated. Their conclusion is invalid, as they use an improper method to assess the proton transfer in a solid crystal structure. We present an in-depth experimental and theoretical analysis of (N)(HO)(NH)Cl that supports the results in the original paper.

Silver nanoparticle and lysozyme/tannic acid layer-by-layer assembly antimicrobial multilayer on magnetic nanoparticle by an eco-friendly route.

A facile, economical and green synthetic route was developed to fabricate magnetic nanocomposite arming with silver nanoparticles (AgNPs) for antibacterial application. In this synthesis, two natural compounds, positively charged lysozyme (Lys) and negatively charged tannic acid (TA), were alternately deposited on FeO nanoparticles (IONPs) surface by layer-by-layer (LbL) self-assembly technique. And then AgNPs were embedded by an in situ reduction of Ag so as to achieve complementary antibacterial functions to act against Gram-positive and Gram-negative bacteria.