Here, ferric oxide-loaded metal–organic framework (FeTCPP/Fe2O3 MOF) nanorice was designed and constructed by the liquid diffusion method. The introduction of iron metal nodes loading Fe2O3 can effectively catalyze Fenton reaction to produce hydroxyl radicals (•OH) overcome hypoxic environment tumor tissue generating oxygen. monodispersity porosity porphyrin photosensitizers in MOF structure exposed more active sites, which promoted energy exchange between molecules oxygen for photodynamic...

Typical amphiphilic metal-free tetrakis(4-hydroxyphenyl)porphyrin H2THPP (1) and tetrakis(4-hydroxyphenyl)porphyrinato copper complex CuTHPP (2) were fabricated into organic nanostructures by a phase-transfer method. Their self-assembly properties in aqueous solution have been comparatively studied with those of tetra(phenyl)porphyrin H2TPP (3) electronic absorption Fourier transform infrared (FT-IR) spectroscopy, transmission microscopy (TEM), scanning (SEM), X-ray diffraction (XRD)...

Density functional theory calculations were carried out to investigate the effect of oligomer length, halogen substitution, and heteroatom substitution on organic field-effect transistor (OFET) performance a series oligothienoacenes (1−5 for oligothienoacene with thiophene units' number from two six). Compounds 1−5 are revealed act only as p-type semiconductors due their very high electron injection barrier relative work function potential Au source-drain electrodes. Heteroatom sulfur atom...

In this work, porphyrin-based MOF nanosheets were formulated. The as-developed Gd-TCPP could be protonated significantly in an acidic solution, which greatly enhanced the UV-vis absorption at 665 nm. Also, a significant structural reorganization occurred to achieve nanowire structure. As center of porphyrin had metal coordination atom, Q band better stability due their inability protonated. These results confirm that MOFs can regulated via protonation, and protonation solution avoided by...

Photodynamic/photothermal therapy (PDT/PTT) has become a research focus of cancer treatment due to the non-invasiveness, spatio-temporal controllability, and effectiveness repeated treatment. Here, Au@MOF core-shell hybrids were designed constructed by layer-by-layer method, thickness MOF shell can be adjusted controlling coordination reaction between layers. Au nanorod cores mainly produce PTT effect their strong absorbance at 650 nm. The porphyrin ligand in convert O2 into 1O2 under light...

Abstract To non‐destructively resolve and diagnose the degradation mechanisms of lithium‐ion batteries (LIBs), it is necessary to cross‐scale decouple complex kinetic processes through distribution relaxation times (DRT). However, LIBs with low interfacial impedance render DRT unreliable without data processing closed‐loop validation. This study proposes a hierarchical analytical framework enhance timescale resolution reduce uncertainty, including reconstruction multi‐dimensional analysis....

Magnesium (Mg) and its alloys, as next-generation materials for anastomosis staples, offer promising advantages such biodegradability, biocompatibility, reduced risk of long-term complications compared to traditional titanium materials. However, the performance biodegradable staples is highly dependent on their structure. In this study, a high-purity (HP) Mg staple with an optimized structure intended small intestine was developed evaluated in vitro. The designed staple, diameter 0.3 mm,...

Covalent organic frameworks (COFs) incorporating hydrogen bond donor (HBD) moieties show great promise for heterogeneous catalyst CO2 cycloaddition. In this work, a catechol‐functionalized COF (BL‐TF‐COF) was constructed via Schiff‐base condensation under solvothermal conditions, which characterized using PXRD, FT‐IR, solid‐state 13C NMR, SEM, HR‐TEM, DRS and CV. BL‐TF‐COF presents high crystallinity, large BET surface area (523 m2 g‐1) remarkable chemical stability, along with abundant...

A solid phase extraction (SPE) high-performance liquid chromatography (HPLC) method was developed for the simultaneous determination of 10 phthalic acid esters (dimethyl phthalate, diethyl dipropyl benzylbutyl diisobutyl dicyclohexyl diamyl di-n-hexyl di-n-octyl phthalate and di-2-ethylhexyl phthalate) released from food paper packaging materials. The use distilled water, 3% acetic (w/v), 10% ethanol (v/v) 95% instead different types simulated migration materials; in four simulants were...

The antifouling hydrogel-coated magnetic nanoparticles were developed to realize the cell-friendly and efficient CTC capture recovery.

Two chalcogen-bonded organic frameworks (denoted as CBOFs), CBOF-1 and CBOF-2, have been constructed by the self-assembly of a custom-made triptycenetris(2,1,3-benzoselendiazole) (TTB) an building block. As revealed results single crystal X-ray diffraction analysis, combination chalcogen bonding Se···π interactions was conductive to structural porosity obtained two compounds. In particular, exhibited 3D 4-connected lvt topological framework with TTB simplified node. The open pore channels...

In this paper, the Cr2O3/Al2O3 catalysts with various loadings and calcination processes were prepared to investigate catalytic performance in dehydrogenation of propane. Interestingly, it was found that by post-treatment air achieved higher propane conversion than their counterparts calcined H2/Ar, while latter exhibited a better anticoking ability then resistance against deactivation. XRD, Raman spectra, UV–vis H2-TPR, XPS, NH3-TPD investigations showed Cr6+ species different polymeric...

Density functional theory (DFT) calculations were carried out to describe the molecular structures, orbitals, atomic charges, UV-vis absorption spectra, IR, and Raman spectra of bis(phthalocyaninato) rare earth(III) complexes M(Pc)(2) (M = Y, La) as well their reduced products [M(Pc)(2)](-) La). Good consistency was found between calculated results experimental data. Reduction neutral [M(Pc)(2)]- induces reorganization orbitals charge distribution decreases inter-ring interaction. With...

The location of the hole and acid proton in neutral nonprotonated protonated mixed (phthalocyaninato)(porphyrinato) yttrium double-decker complexes, respectively, is studied on basis density functional theory (DFT) calculations molecular structures, orbitals, atomic charges, electronic absorption infrared spectra neutral, reduced, two possible species a compound: [(Pc)Y(Por)], [(Pc)Y(Por)]-, [(HPc)Y(Por)], [(Pc)Y(HPor)], respectively. When [(Pc)Y(Por)] reduced to calculated results...

To investigate the effect of axially coordinated ligand(s) on semidconducting properties metal phthalocyanine complexes, density functional theory (DFT) calculations were carried out in terms highest occupied molecular orbital (HOMO) and lowest unoccupied (LUMO) energy, ionization energy (IE), electronic affinity (EA), reorganization (λ) F2SnPc, Cl2SnPc, I2SnPc, OSnPc, OVPc, Cl2TiPc. For purpose comparative studies, calculation SnPc without ligand has also been conducted. The couplings (V)...

Density functional theory calculations were carried out to study the charge transfer properties of bis(phthalocyaninato) yttrium and lanthanum double-decker complexes M(Pc)2 (M = Y, La) for organic field effect transistors. The results indicate that intrinsic delocalized hole in induces high energy level highest occupied molecular orbital low lowest unoccupied sandwich molecules as well small ionization potential large electronic affinity. These factors lead very injection barrier relative...

Covalent organic frameworks (COFs) are porous materials with well-defined and uniform structure. The material is an excellent candidate as a solid adsorbent for iodine adsorption. In the present study, we report synthesis of COF porphyrin moiety, TF-TA-COF, by solvothermal reaction, which was characterized XRD, solid-state

Abstract Time‐dependent density functional theory (TD‐DFT) calculations were carried out in a comparative study of the electronic absorption spectra lead(II) phthalocyaninate (PbPc), tin(II) (SnPc), tin(IV) dichlorophalocyaninate (PcSnCl 2 ), germanium(II) (GePc), and germanium (IV) (PcGeCl ) with B3LYP method LANL2DZ basis set. Our calculated bands correspond well experimental results. The natures all are assigned analyzed comparatively according to transition contributions. With increase...