Revolutionizing the structural design and determination of covalent-organic frameworks: principles, methods, and techniques.

Covalent organic frameworks (COFs) represent an important class of crystalline porous materials with designable structures and functions. The interconnected organic monomers, featuring pre-designed symmetries and connectivities, dictate the structures of COFs, endowing them with high thermal and chemical stability, large surface area, and tunable micropores. Furthermore, by utilizing pre-functionalization or post-synthetic functionalization strategies, COFs can acquire multifunctionalities, leading to their versatile applications in gas separation/storage, catalysis, and optoelectronic devices. Our review provides a comprehensive account of the latest advancements in the principles, methods, and techniques for structural design and determination of COFs. These cutting-edge approaches enable the rational design and precise elucidation of COF structures, addressing fundamental physicochemical challenges associated with host-guest interactions, topological transformations, network interpenetration, and defect-mediated catalysis.

Two-Dimensional Magnetic Semiconducting Heterostructures of Single-Layer CrI3-CrI2.

Single-layer heterostructures of magnetic materials are unique platforms for studying spin-related phenomena in two dimensions (2D) and have promising applications in spintronics and magnonics. Here, we report the fabrication of 2D magnetic lateral heterostructures consisting of single-layer chromium triiodide (CrI3) and chromium diiodide (CrI2). By carefully adjusting the abundance of iodine based on molecular beam epitaxy, single-layer CrI3-CrI2 heterostructures were grown on Au(111) surfaces with nearly atomic-level seamless boundaries. Two distinct types of interfaces, i.e., zigzag and armchair interfaces, have been identified by means of scanning tunneling microscopy. Our scanning tunneling spectroscopy study combined with density functional theory calculations indicates the existence of spin-polarized ground states below and above the Fermi energy localized at the boundary. Both the armchair and zigzag interfaces exhibit semiconducting nanowire behaviors with different spatial distributions of density of states. Our work presents a novel low-dimensional magnetic system for studying spin-related physics with reduced dimensions and designing advanced spintronic devices.

Direct aryl-aryl coupling of pentacene on Au(110).

Selective C-H bond activation of polycyclic aromatic hydrocarbons is challenging due to the relatively high bond dissociation energy and the existence of multiple equivalent C-H sites. Herein, we report a scanning tunneling microscopy study on the covalent coupling of pentacene molecules on Au(110) surfaces. The missing-row reconstruction of Au(110) surfaces strengthens the molecule-substrate interactions. At elevated temperatures (470-520 K), pentacenes undergo direct aryl-aryl coupling via C-H bond activation. Due to the anisotropic feature of the reconstructed Au(110) surface, pentacenes are preferentially oriented parallel or perpendicular, making the linear and T-shaped dimers the predominant products. Based on density functional theory calculations, the aryl C-H bond activation barrier is reduced to 1.42 eV on Au(110)-(1 × 3) reconstructed surfaces, at which the extra row of gold atoms located in the (1 × 3) reconstructed grooves plays a key role.

Comparison and evaluation of the simulated annual aerosol characteristics over China with two global aerosol models.

In this study, simulations of the annual mean aerosol budget, aerosol optical properties, and surface mass concentration in 2006 in China are performed with two aerosol interactive global atmosphere models, namely, the Nonhydrostatic ICosahedral Atmospheric Model (NICAM) coupled with the Spectral Radiation Transport Model for Aerosol Species (SPRINTARS) and the Beijing Climate Center Atmospheric General Circulation Model (BCC_AGCM) coupled with the Canadian Aerosol Module (CAM) online. The observed and simulated aerosol optical depths (AODs) exhibit similar horizontal distributions with large values over eastern and central China, and sulfate aerosols contribute the main differences between the AODs simulated by NICAM and BCC_AGCM. The simulated sulfate and dust surface concentrations are more consistent with observations compared with the simulated carbonaceous surface concentrations, and both models can reproduce the decreasing tendency of the sulfate surface concentration from urban sites to rural sites. However, the dust emission and deposition levels in China simulated by BCC_AGCM are three times as high as those simulated by NICAM, and the major sink processes of the anthropogenic sulfate, black carbon (BC), and organic carbon (OC) aerosols over China are very different between the two models. The emission and deposition results, which are closely related to the model-assumed aerosol particle size distribution, indicate that the current aerosol size distribution used in the two models should be further improved. The differences in dust emission parameterizations also lead significant discrepancies in aerosol cycles and the dust emission scheme is an important factor determining the magnitudes of global and regional dust emission fluxes.

On-surface synthesis of gold-coronene molecular wires.

Perchlorocoronene undergoes random dehalogenation at elevated temperatures, resulting in the formation of a disordered gold-coronene complex on Au(111) surfaces. The dehalogenation can be guided by introducing intermolecular constraint from accompanying molecules coexisting on the surface. Owing to the intermolecular electrostatic interactions, gold-coronene wires are intercalated between the polyphenylene chains, which hinders the transverse dehalogenation and results in an improved tendency toward linear gold-coronene molecular wires.

Single-layer CrI3 grown by molecular beam epitaxy.

Single- and few-layer chromium triiodide (CrI3), which has been intensively investigated as a promising platform for two-dimensional magnetism, is usually prepared by the mechanical exfoliation. Here, we report direct growth of single-layer CrI3 using molecular beam epitaxy in ultrahigh vacuum. Scanning tunneling microscopy (STM), together with density functional theory (DFT) calculation, revealed that the iodine trimers, each of which consists of three I atoms surrounding a three-fold Cr honeycomb center, are the basic units of the topmost I layer. Different superstructures of single-layer CrI3 with periodicity around 2-4 nm were obtained on Au(1 1 1), while only the 1 × 1 structure was observed on the graphite substrate. At an elevated temperature of 423 K, single-layer CrI3 began to decompose and transformed into single-layer chromium diiodide. Our bias-dependent STM images suggest that the unoccupied and occupied states are spatial-separately distributed, consistent with the results of our DFT calculation. We also discussed the role of charge distribution in the super-exchange interactions among Cr atoms in single-layer CrI3.

Assessment of the pharmacokinetics, removal rate of hemodialysis, and safety of lactulose in hemodialysis patients.

Lactulose is often used to treat hepatic encephalopathy or constipation, and also exhibits benefits to chronic renal insufficiency due to reduce nitrogen-related products in serum. The present study investigated the pharmacokinetics of lactulose, its removal rate through dialysis, and safety by administering lactulose 6.5 g (Lagnos Jelly Divided Pack 16.05 g) orally to six hemodialysis patients who resided in Taiwan. As a result, the means of maximum plasma concentrations (Cmax) and Time to reach Cmax (Tmax) were 3090 ± 970 ng/mL and 6.5 ± 2.3 hours, respectively. The mean plasma concentration was 2220 ± 986 ng/mL after administration for 24 hours. Sequentially, the mean plasma concentration reduced to 307 ± 117 ng/mL after the application of 4-hour dialysis. Area under the plasma concentration-time curve from zero to 24 h post-dose (AUC0-24h) were 56,200 ± 21,300 ng h/mL and the AUC0-28h was 61,200 ± 23,300 ng h/mL. The rate of lactulose removal by dialysis was 83.6±8.9%. In addition, the multiple doses of lactulose using a simulated model suggested that no plasma accumulation would be expected while coordinating with dialysis. Good tolerability was confirmed, while the mild adverse effect of diarrhea was observed in one case during the study period. No death or serious adverse effect was reported. Based on the present study, we demonstrated the pharmacokinetic transition with respect to plasma levels of lactulose in patients with impaired renal excretion treated with hemodialysis.