Bodipy-based Ratiometric Fluorescent Probe for Sensing Fe with Large Absorption and Emission Shifts.

Secondary development of fluorescent probes can fully exploit the optical advantages of existing probes while avoiding resource wastage from redundant research and development. This paper investigates the metal ion recognition properties of a reported probe (BDF) in methanol solution. Upon addition of Fe, the probe solution exhibits a distinct color change from light blue to pale pink, accompanied by a 55nm blue shift in the maximum absorption wavelength.

Thermal decomposition mechanism of HMX/DNAN at high temperatures by reactive molecular dynamics simulations.

This work investigated the thermal decomposition process of the HMX/DNAN melt-cast explosive system at high temperatures using reactive molecular dynamics. The initial reaction paths of the system and the effects of DNAN on the thermal decomposition of HMX were revealed. The findings indicated that the H atoms and nitro groups produced by the decomposition of DNAN were reacted with HMX and its intermediates, which in turn promoted the pyrolysis of HMX, while the OH radicals produced by the decomposition of HNO continued to induce the decomposition of HMX.

Benzothiazole-Based Fluorescent Probe DYH for 2,4,6-Trinitrophenol Detection: Environmental Water Analysis and Smartphone-Based Sensing.

In this study, a benzothiazole-based fluorescent probe, (methyl (E)-2-(3-(benzo[d]thiazol-2-yl)-2-hydroxy-5-me$thylbenzylidene) hydrazine-1-carboxylate) (DYH), was investigated for the possibility of sensitive detection of potentially threatening explosives (2, 4, 6-trinitrophenol) TNP and its application. The probe exhibited blue-green fluorescence in methanol solution and its intensity decreased significantly with increasing TNP concentration, achieving a fluorescence quenching efficiency of up to 99.77%.

Synthesis of a Quinoline-Coumarin Fluorescent Probe and its Applications.

In this study, probe T is synthesized via a condensation reaction from 7-diethylamino-3-formylcoumarin and 2-(quinolin-8-yloxy) acetohydrazide. It demonstrates a strong recognition ability for Cu and S in the CHCN/HEPES (9:1, V/V, pH = 7.34) buffer system.

Novel benzothiazole-based fluorescent probe for efficient detection of Cu/S and Zn and its applicability in cell imaging.

Background: In recent years, environmental pollution has been increasing due to the excessive emission of toxic ions, which has caused serious harm to human health and ecological environment. There are various methods for detecting Cu, S and Zn, but the traditional ion detection methods have obvious disadvantages, such as poor selectivity and long detection time. Therefore, it is still crucial to develop simple, efficient and rapid detection methods.

Thermal decomposition mechanism of HMX/HTPB hybrid explosives studied by reactive molecular dynamics.

Context: The thermal decomposition process of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine/hydroxyl-terminated polybutadiene (HMX/HTPB) hybrid explosives and pure HMX explosives at different temperatures (2000 ~ 3500 K) was investigated using the reactive molecular dynamics method. This study aimed to analyze the effect of binders on the thermal decomposition of HMX at the atomic scale and reveal the thermal decomposition mechanism of HMX/HTPB. The results showed that the thermal decomposition process of the HMX molecule in the HMX/HTPB hybrid system involves a continuous denitration followed by the disintegration of the main ring.

Selenide-based 3D folded polymetallic nanosheets for a highly efficient oxygen evolution reaction.

Electrochemical water splitting, which is considered to be one of the fruitful strategies to achieve efficient and pollution-free hydrogen production, has been deemed as a key technology to achieve renewable energy conversion. Oxygen evolution reaction (OER) is a decisive step in water splitting. Slow kinetics seriously limits the effective utilization of energy thus it is extremely urgent to develop electrocatalysts that can effectively reduce the reaction energy barrier thus accelerate OER kinetics.

Assembly of ZIF-67 nanoparticles and grown Cu(OH) nanowires serves as an effective electrocatalyst for oxygen evolution.

Due to the slow kinetics of oxygen evolution at the anode, the efficiency of electrocatalytic water decomposition is critically reduced, and its large-scale application is severely restricted. Therefore, it is urgent to develop electrocatalysts with excellent performance and stability to accelerate the oxygen evolution reaction (OER) reaction kinetics. Herein, a self-supporting binder-free electrocatalyst was successfully prepared using in situ grown Cu(OH)2 nanowires on CF as the carrier to grow ZIF-67 via a room temperature immersion method.

Ruthenium-doped NiFe-based metal-organic framework nanoparticles as highly efficient catalysts for the oxygen evolution reaction.

Developing highly efficient and stable electrocatalysts toward the oxygen evolution reaction (OER) is essential for large-scale sustainable energy conversion and storage technologies. Herein, we design and synthesize a ruthenium (Ru) doped NiFe bimetallic metal-organic framework (MOF) deposited on the nickel foam (Ru-NiFe-MOF/NF) by a facile one-pot hydrothermal reaction. Ru-NiFe-MOF/NF exhibits favourable electrocatalytic OER activity in alkaline solution, and requires a low overpotential of 205 mV to achieve 10 mA cm, a small Tafel slope of 50 mV dec, and long-term electrochemical stability over 100 h.

Hydration and swelling: a theoretical investigation on the cooperativity effect of H-bonding interactions between p-hydroxy hydroxymethyl calix[4]/[5]arene and HO by many-body interaction and density functional reactivity theory.

In order to explore the nature of the hydration and swelling of superabsorbent resin, a theoretical investigation into the cooperativity effect of the H-bonding interactions in the hydrates of four model compounds that can be regarded as the units of hydroquinone formaldehyde resin (HFR) (i.e., O-hydroxymethyl-1,4-dihydroxybenzene, methylene di-O-hydroxymethyl-1,4-dihydroxybenzene, p-hydroxy hydroxymethyl calix[4]arene and p-hydroxy hydroxymethyl calix[5]arene) was carried out by many-body interaction and density functional reactivity theory.

5-Diethyl-amino-2-{[2-(2,4-dinitro-phen-yl)hydrazin-1-yl-idene]meth-yl}phenol.

In the title compound, C(17)H(19)N(5)O(5), obtained from the condensation reaction of 4-diethyl-amino-2-hy-droxy-benzalde-hyde and 2,4-dinitro-phenyl-hydrazine, the two benzene rings are twisted by a dihedral angle of 1.75 (12)°. The nitro groups are slightly twisted with the respect to the benzene ring to which they are attached, making dihedral angles of 8.

3-Eth-oxy-2-hy-droxy-benzaldehyde 2,4-di-nitro-phenylhydrazone N,N-di-methyl-formamide monosolvate.

The Schiff base of the title compound, C(15)H(14)N(4)O(6)·C(3)H(7)NO, was obtained from the condensation reaction of 3-eth-oxy-2-hy-droxy-benzaldehyde and 2,4-dinitro-phenyl-hydrazine. The dihedral angle between the benzene rings is 3.05 (10)° and intra-molecular N-H⋯O and O-H⋯O hydrogen bonds generate S(6) and S(5) ring motifs, respectively.

2-Hydroxy-3-methoxybenzaldehyde 2,4-dinitrophenylhydrazone pyridine monosolvate.

The Schiff base molecule of the title compound, C(14)H(12)N(4)O(6)·C(5)H(5)N, was obtained from the condensation reaction of 2-hy-droxy-3-meth-oxy-benzaldehyde and 2,4-dinitro-phenyl-hydrazine. The C=N bond of the Schiff base has a trans arrangement and the dihedral angle between the two benzene rings is 3.49 (10)°.

Bis[4-hy-droxy-3,5-dimeth-oxy-benzalde-hyde (2,4-dinitro-phen-yl)hydrazone] N,N-dimethyl-formamide disolvate monohydrate.

In the title compound, 2C(15)H(14)N(4)O(7)·2C(3)H(7)NO·H(2)O, the hydrazone mol-ecules are roughly planar, with the two benzene rings twisted slightly relative to each other by dihedral angle of 6.04 (11) and 7.75 (11)° in the two mol-ecules.