89Zr and 177Lu labeling of anti-DR5 monoclonal antibody for colorectal cancer targeting PET-imaging and radiotherapy

Journal of Radioanalytical and Nuclear Chemistry - Death receptor 5 (DR5) is overexpressed in many tumors. Combination of the anti-DR5 antibody with radionuclides such as lutetium-177 (177Lu) could...     

Computational studies on 3,5,7,10,12,14,15,16-octanitro-3,5,7,10,12,14,15,16-octaaza-pentacyclo[7.5.1.12,8.04,13.06,11]hexadecane as potential high-energy-density compound

The B3LYP/6-31G(d) method of density functional theory was used to study molecular geometry, electronic structure, infrared spectrum, and thermodynamic properties. Detonation properties were evaluated using Kamlet–Jacobs equations based on the calculated density and heat of formation. Thermal stability of 3,5,7,10,12,14,15,16-octanitro-3,5,7,10,12,14,15,16-octaaza-pentacyclo[7.5.1.1^2,8.0^4,13.0^6,11]hexadecane (cage-HMX) was investigated by calculating the bond dissociation energy at unrestricted B3LYP/6-31G(d) level. The calculated results show that the first step of pyrolysis is the rupture of the N–NO₂ bond. The crystal structure obtained by molecular mechanics belongs to P2₁ space group, with lattice parameters a = 8.866 Å, b = 11.527 Å, c = 13.011 Å, Z = 4, and ρ = 2.219 g cm^?3. Both the detonation velocity of 9.79 km s^?1 and the detonation pressure of 45.45 GPa are better than those of CL-20. According to the quantitative standard of energetics and stability as a high-energy-density compound, cage-HMX essentially satisfies this requirement. These results provide basic information for molecular design of novel HEDCs.     

Synthesis and Crystal Structure of Blue Luminescent Cadmium(II) Coordination Networks with 4,4′-Bis(imidazol-1-ylmethyl)biphenyl from Different Solvent Systems

Two supramolecular complexes, [Cd(bimb)²Cl²] (1) and [Cd(bimb)(DMF)Cl²]·DMF (2) [bimb=4,4′-bis(imidazol-1-ylmethyl)biphenyl], were synthesized by reactions of CdCl²·2.5H²O with bimb ligand in ethanol and N,N′-dimethylformamide (DMF), respectively, and their structures were determined by X-ray crystallography. Complex 1 is an infinite 2D grid network bridged by bimb ligands, and the 2D sheets were further linked by C–H ?Cl hydrogen bonds to form a polycatenated 3D framework. Complex 2 has dicadmium(II) di-μ-chloride units which are connected by bimb bridging ligands to form an infinite non-interpenetrating 2D network. The results provide a nice example of the solvent system exerting a great effect on the construction of supramolecular frameworks.     

Pd-catalyzed cross-coupling reactions of arenediazonium salts with arylsilanes and aryltrifluoroborates in water

Pd-catalyzed cross-coupling reactions of various arenediazonium salts with ArSi(OR)₃ and KArBF₃ have been achieved in good to excellent yields under simple aerobic conditions in water at room temperature. The functional group tolerance makes these transformations as attractive alternatives to the traditional cross-coupling approaches. Furthermore, the sequence can also be performed in a one-pot domino process, omitting the isolation of the intermediate arenediazonium salt.     

Boron-iron nanochains for selective electrocatalytic reduction of nitrate

The electrocatalysis of nitrate reduction reaction(NRR) has been considered to be a promising nitrate removal technology.Developing a highly effective iron-based electrocatalyst is an essential challenge for NRR.Herein,boron-iron nanochains(B-Fe NCs) as efficient NRR catalysts were prepared via a facile lowcost and scalable method.The Fe/B ratio of the B-Fe NCs-x can be elaborately adjusted to optimize the NRR catalytic performance.Due to the electron transfer from boron to metal,the metal-metal bonds are weakened and the electron density near the metal atom centers are rearranged,which are favor of the conversion from NO_3~-into N_2.Moreover,the well-crosslinked chain-like architectures benefit the mass/electron transport to boost the exposure of abundant catalytic active sites.Laboratory experiments demonstrated that the optimized B-Fe NCs catalyst exhibits superior intrinsic electrocatalytic NRR activity of high nitrate conversion(～80%),ultrahigh nitrogen selectivity(～99%) and excellent long-term reactivity in the mixed electrolyte system(0.02 mol/L NaCl and 0.02 mol/L Na_2 SO_4 mixed electrolyte),and the electrocatalytic activity of the material shows poor performance at low chloride ion concentration(Nitrate conversion of ～61 % and nitrogen selectivity of ～57% in 0.005 mol/L NaCl and 0.035 mol/L Na_2 SO_4 mixed electrolyte).This study provides a broad application prospect for further exploring the highefficiency and low-cost iron-based functional nanostructures for electrocatalytic nitrate reduction.