Photocatalytic Radical Cascade Dehalogenation/Carbo-cyclization/Sulfonylation Leading to Indole- and Benzofuran-Based Benzylic Sulfones.

This study presents a convenient approach to the synthesis of indole- and benzofuran-based benzylic sulfones using unactivated alkynes containing aryl iodides and sodium sulfinates under visible light irradiation. The procedure involves a sequential series of dehalogenation, carbo-cyclization, and radical sulfonylation. Plausible insights into the reaction mechanism are derived from control experiments, leading to the proposal of a radical cascade reaction pathway.

Pd(II)-Catalyzed Carbonyl-Directing Activation of Alkenes: Selective Fluorosulfonylation and Aminosulfonylation of 1,7-Enynes.

A new Pd(II)-catalyzed carbonyl-directing activation of alkenes has been established, enabling radical-induced selective fluorosulfonylation and aminosulfonylation of carbonyl-tethered 1,7-enynes with sulfinic acids and N-fluorobenzenesulfonimide (NFSI) under mild and redox neutral conditions to access densely functionalized ( E)-3,4-dihydronaphthalen-1(2 H)-ones with generally good yields and high stereoselectivity. The selectivity of these bifunctionalizations relies on the electronic nature of substituents on both aryl rings of 1,7-enynes.

Catalytic Dual 1,1-H-Abstraction/Insertion for Domino Spirocyclizations.

A catalytic domino spirocyclization of 1,7-enynes with simple cycloalkanes and cyclo-1,3-dicarbonyls has been established via multiple C-C bond formations from alkynyl/alkenyl functions and dual α,α-C(sp(3))-H abstraction/insertion. The reaction involves addition, 6-exo-dig cyclization and radical coupling sequences under convenient catalytic conditions and provides a concise access to spiro cyclopenta[c]quinolines in good to excellent yields.

Photocatalytic selective synthesis of (E)-ß-aminovinyl sulfones and (E)-ß-amidovinyl sulfones using Ru(bpy)3Cl2 as the catalyst.

Selectively producing a variety of valuable compounds using controlled chemical reactions starting from a common material is an appealing yet complex concept. Herein, a photocatalytic approach for the selective synthesis of (E)-ß-aminovinyl sulfones and (E)-ß-amidovinyl sulfones from allenamides and sodium sulfinates was established. This reaction exhibits the traits of an eco-friendly solvent and adjustable amide cleavage, and can accommodate a diverse range of substrates with exceptional functional group tolerance. Based on control experiments and deuterium labeling experiments, a plausible radical reaction pathway is proposed.

Using choroidal thickness to detect myopic macular degeneration.

AIM: To explore the usage of choroidal thickness measured by swept-source optical coherence tomography (SS-OCT) to detect myopic macular degeneration (MMD) in high myopic participants. METHODS: Participants with bilateral high myopia (≤-6 diopters) were recruited from a subset of the Guangzhou Zhongshan Ophthalmic Center-Brien Holden Vision Institute High Myopia Cohort Study. SS-OCT was performed to determine the choroidal thickness, and myopic maculopathy was graded by the International Meta-Analysis for Pathologic Myopia (META-PM) Classification. Presence of MMD was defined as META-PM category 2 or above. RESULTS: A total of 568 right eyes were included for analysis. Eyes with MMD (n=106, 18.7%) were found to have older age, longer axial lengths (AL), higher myopic spherical equivalents (SE), and reduced choroidal thickness in each Early Treatment Diabetic Retinopathy Study (ETDRS) grid sector (P<0.001). The area under the receiver operating characteristic (ROC) curves (AUC) for subfoveal choroidal thickness (0.907) was greater than that of the model, including age, AL, and SE at 0.6249, 0.8208, and 0.8205, respectively. The choroidal thickness of the inner and outer nasal sectors was the most accurate indicator of MMD (AUC of 0.928 and 0.923, respectively). An outer nasal sector choroidal thickness of less than 74 µm demonstrated the highest odds of predicting MMD (OR=33.8). CONCLUSION: Choroidal thickness detects the presence of MMD with high agreement, particularly of the inner and outer nasal sectors of the posterior pole, which appears to be a biometric parameter more precise than age, AL, or SE.

5-Methyl-N-(1,3-thia-zol-2-yl)isoxazole-4-carboxamide.

In the title compound, C8H7N3O2S, the dihedral angle between the thia-zol and isoxazole rings is 34.08 (13)°. In the crystal, the mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers, and C-H⋯O inter-actions, resulting in chains along the b-axis direction.

2-(1-Methyl-2-oxoindolin-3-yl-idene)malono-nitrile.

The title mol-ecule, C12H7N3O, is almost planar, with an r.m.s. deviation of 0.026 Å. No directional interactions could be detected in the crystal.

Synthesis and Characterization of Porous MgO Nanosheet-Modified Activated Carbon Fiber Felt for Fluoride Adsorption.

In the present work, the porous MgO nanosheet-modified activated carbon fiber felt (MgO@ACFF) was prepared for fluoride removal. The MgO@ACFF was characterized by XRD, SEM, TEM, EDS, TG, and BET. The fluoride adsorption performance of MgO@ACFF also has been investigated. The adsorption rate of the MgO@ACFF toward fluoride is fast; more than 90% of the fluoride ions can be adsorbed within 100 min, and the adsorption kinetics of MgO@ACFF can be fitted in a pseudo-second-order model. The adsorption isotherm of MgO@ACFF fitted well in the Freundlich model. Additionally, the fluoride adsorption capacity of MgO@ACFF is larger than 212.2 mg/g at neutral. In a wide pH range of 2-10, the MgO@ACFF can efficiently remove fluoride from water, which is meaningful for practical usage. The effect of co-existing anions on the fluoride removal efficiency of the MgO@ACFF also has been studied. Furthermore, the fluoride adsorption mechanism of the MgO@ACFF was studied by the FTIR and XPS, and the results reveal a hydroxyl and carbonate co-exchange mechanism. The column test of the MgO@ACFF also has been investigated; 505-bed volumes of 5 mg/L fluoride solution can be treated with effluent under 1.0 mg/L. It is believed that the MgO@ACFF is a potential candidate for a fluoride adsorbent.

Preparation of basic magnesium carbonate nanosheets modified pumice and its adsorption of heavy metals.

Heavy metal pollution in wastewater poses a grave danger to the environment and the human body. Pumice is a mineral with abundant reserves and low prices, and its prospect of heavy metal adsorbent is very broad. In this work, we modified pumice with basic magnesium carbonate nanosheets by a convenient hydrothermal synthesis. The adsorption capacity of heavy metals is greatly improved. The effects of different pH and adsorption dosages are investigated. All the optimum pH values for Cu2+, Pb2+, and Cd2+ are 5. The adsorption of three kinds of ions conforms to the quasi-second-order adsorption kinetics model. The theoretical adsorption capacities of Cu2+, Pb2+, and Cd2+, which are calculated by the Langmuir model, are 235.29 mg/L, 595.24 mg/L, and 370.34 mg/L, respectively. The adsorption of Cu2+ and Cd2+ fit the Langmuir model better. The Freundlich model is fitted well with the adsorption of Pb2+. In the experiment simulating real wastewater, the adsorption capacity of heavy metals is not affected. It also shows good reusability in three regeneration cycles. And Mg5(CO3)4(OH)2·4H2O@pumice adsorption column showed the good removal efficiency of three heavy metals at different concentrations and different spatial velocities in the column experiment. Thus, it is believed that the Mg5(CO3)4(OH)2·4H2O@pumice is a promising adsorbent for the efficient removal of heavy metals.

Perifosine as potential anti-cancer agent inhibits proliferation, migration, and tube formation of human umbilical vein endothelial cells.

Targeting angiogenesis is considered an effective strategy for treating the expansion and metastasis of tumors. The aim of this study is to assess the effects of perifosine, an inhibitor of Akt, on cell proliferation, apoptosis, angiogenesis, and VEGF-induced cell migration in cultured human umbilical vein endothelial cells (HUVECs) in vitro. MTT and cell cycle analysis results indicated that perifosine inhibited the growth of HUVECs in a dose-dependent manner, arrested cell cycle progression at the G(2) phase with regulation the expression of p21 and cyclinB1. Apoptosis induced by the higher concentrations of perifosine in HUVECs was also observed. In addition, tube formation of HUVECs and VEGF-induced cell migration were markedly inhibited by perifosine. Western blotting analysis of cell signaling molecules indicated that perifosine inhibited ERK and p38 phosphorylation in HUVECs. These results suggest that perifosine exerts anti-angiogenic activity in HUVECs and is a promising agent for treatment of angiogenesis related-diseases.

4-Chloro-1-methyl-indoline-2,3-dione.

The title mol-ecule, C(9)H(6)ClNO(2), is essentially planar; the maximum deviation of the indoline ring system is 0.027 (3) Šand the substituents do not deviate by more than 0.075 (2) Šfrom this plane. Inter-molecular C-H⋯O hydrogen bonds consolidate the crystal structure.

2-(Hy-droxy-meth-yl)pyridin-3-ol.

In the crystal structure of the title compound, C(6)H(7)NO(2), the mol-ecules are are linked by inter-molecular O-H⋯N and O-H⋯O hydrogen bonds; π-π stacking is observed between parallel pyridine rings of adjacent mol-ecules [centroid-to-centroid distance = 3.7649 (12) Å].

6-Chloro-1-methyl-indoline-2,3-dione.

The title mol-ecule, C(9)H(6)ClNO(2), is essentially planar: the maximum deviation from the mean plane of the indoline ring is 0.020 (2) Šand the substituents do not deviate by more than 0.053 (2) Šfrom this plane. C-H⋯O hydrogen bonds help to consolidate the crystal structure.

1-Benzyl-4-chloro-indoline-2,3-dione.

There are two independent mol-ecules in the asymmetric unit of the title compound, C(15)H(10)ClNO(2), which differ in the dihedral angles between the mean planes of the phenyl ring and the 4-chloro-indoline-2,3-dione ring system [59.48 (9) and 79.0 (1)°]. In the crystal, mol-ecules are linked through C-H⋯O hydrogen bonds, forming polymeric chains in [100].

rac-Methyl 2-(2-formyl-4-nitro-phen-oxy)hexa-noate.

In the racemic title compound, C(14)H(17)NO(6), the plane of the ester group of the methyl hexa-noate side chain makes a dihedral angle of 80.0 (2)° with the benzene ring, while the nitro group is approximately coplanar with the benzene ring [dihedral angle = 10.3 (2)°]. In the crystal, mol-ecules form weak aromatic C-H⋯O(nitro) hydrogen-bonding inter-actions, giving inversion dimers [graph set R(2) (2)(8)].

5-Methyl-N-[2-(trifluoro-meth-yl)phen-yl]isoxazole-4-carboxamide.

In the title compound, C(12)H(9)F(3)N(2)O(2), the benzene ring is nearly perpendicular to the isoxazole ring, making a dihedral angle of 82.97 (2)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into a supra-molecular chain running along the c axis.

[2-(1H-Indol-4-yl)eth-yl]dipropyl-amine.

In the title compound, C(16)H(24)N(2), the aliphatic amine substituent is rotated almost orthogonally [C-C-C-C torsion angle = 75.7 (3)°] out of the plane of the indole unit. The amine N atom has a pyramidal configuration deviating by 0.380 (3) Šfrom the plane of the adjacent C atoms. All of the aliphatic groups are in extended transoid conformations. In the crystal, mol-ecules form chains along the a axis via N-H⋯N hydrogen bonds.

N-Cyclo-hexyl-N-{[3-(4,6-dimeth-oxy-pyrimidin-2-yl-oxy)pyridin-2-yl]meth-yl}4,6-dimeth-oxy-pyrimidin-2-amine.

In the title compound, C(24)H(30)N(6)O(5), the cyclo-hexyl ring adopts a chair conformation, while the remainder of the mol-ecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04 (12) and 75.99 (9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56 (15)° between them. They are also involved in an intra-molecular π-π stacking inter-action with a distance of 3.6627 (18) Šbetween the ring centroids. In the crystal, C-H⋯O contacts link the mol-ecules into chains along the b axis.

N-(2,4-Difluoro-phen-yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate.

In the title compound, C(11)H(8)F(2)N(2)O(2)·0.5H(2)O, the dihedral angle between the benzene and isoxazole rings is 8.08 (3)°. In the crystal, the components are linked by O-H⋯N and N-H⋯O hydrogen bonds, in which the water mol-ecule acts as both a donor and an acceptor, into a tape with an R(4) (4)(16) graph-set motif along the a axis. The water mol-ecule is located on a twofold rotation axis. The methyl H atoms were treated as disordered groups over two sites with a refined site-occupancy ratio of 0.48 (6):0.52 (6).

2-[(4,6-Dimeth-oxy-pyrimidin-2-yl)-oxy]benzaldehyde.

In the title compound, C(13)H(12)N(2)O(4), the dihedral angle between the benzene and pyrimidine rings is 55.57 (13)°. The carbonyl group and the two methoxyl groups are approximately coplanar with the benzene ring and pyrimidine ring; the C-C-C-O, C-O-C-N and C-O-C-C torsion angles being -6.1 (5), -4.8 (4) and 179.9 (3)°, respectively. In the crystal, mol-ecules are linked via C-H⋯O inter-actions, forming chains propagating along [110].