Three new sesquiterpenes from the stems of Nicotiana tabacum and their bioactivities.

Three new sesquiterpenes, methyl 4-isopropyl-7-methoxy-6-methylnaphthalene-1-carboxylate (1), methyl 2-hydroxy-4-isopropyl-7-methoxy-6-methylnaphthalene-1-carboxylate (2), and methyl 2-hydroxy-6-(hydroxymethyl)-4-isopropyl-7-methoxynaphthalene-1-carboxylate (3), together with three known sesquiterpenes (4-6), were isolated from the stems of Nicotiana tabacum. Their structures were determined by means of HRESIMS and extensive 1D and 2D NMR spectroscopic studies. The results showed that compounds 2, 3, and 5 exhibited high anti-TMV activity with inhibition rates of 33.6, 35.8, and 36.7%. Compounds 1-6 showed weak inhibitory activities against some tested human tumor cell lines (NB4, A549, SHSY5Y, PC3, and MCF7) with IC50 values in the range of 6.7-9.6 µM.

[A new isobenzofuranone derivative from Phlomis betonicoides and its antibacterial activity].

A new isobenzofuranone derivative has been isolated from Phlomis betonicoides by using various chromatographic techniques, including silica gel, Sephadex LH-20, MCI-gel resin and RP-HPLC. This compound was determined as 5-(3-hydroxypropyl)-2,2-dimethyl-2H-furo[3,4-h]chromen-7(9H)-one (1) by NMR, MS, IR and UV spectroscopic data. Compound 1 showed potent antibacterial activity with an MIC90 value of (58.4 ± 4.2) mg·L⁻¹ for methicillin resistant Staphylococcus aureus (MRSA) strain [levofloxacin as a control with MIC90 value of (52.8±4.6) mg·L⁻¹].

Three new benzolactones from Lavandula angustifolia and their bioactivities.

Three new benzolactones (1-3), together with four known ones (4-7), were isolated from the whole herb of Lavandula angustifolia. Their structures were established on the basis of detailed spectroscopic analysis (1D- and 2D-NMR, HRESIMS, UV, and IR) and comparison with data reported in the literature. New compounds were evaluated for their anti-tobacco mosaic virus (TMV) activities and cytotoxic activities. The results revealed that compounds 1-3 showed obvious anti-TMV activities with inhibition rates of 26.9, 30.2, and 28.4%, which were at the same grade as positive control. Compounds 1-3 also showed weak inhibitory activities against some tested human tumor cell lines with IC50 values in the range of 32.1-7.6 µM.

catena-Poly[disilver(I)(Ag-Ag)-bis-(µ(3)-quinoline-3-carboxyl-ato)-1:2:1'κ(3)O:O':N;2:1'':2''κ(3)N:O:O'].

In the title compound, [Ag(2)(C(10)H(6)NO(2))(2)](n), the Ag(I) atom is coordinated by one N atom and two O atoms from three quinoline-3-carboxyl-ate ligands in a T-shaped fashion, with an additional Ag⋯Ag distance of 2.9468 (6) Å. The ligands connect the Ag(I) atoms into a double-chain structure along [010]. Weak Ag⋯O inter-actions [Ag⋯O = 2.802 (3) and 2.877 (4) Å] link the double-chains into a layer network parallel to (101). π-π inter-actions are also observed in the layer network [centroid-centroid distances = 3.780 (3) and 3.777 (3) Å].

3-Carb-oxy-quinolin-1-ium-2-carboxyl-ate monohydrate.

The title compound, C(11)H(7)NO(4)·H(2)O, contains a 3-carb-oxy-quinolin-1-ium-2-carboxyl-ate (qda) zwitterion and one water mol-ecule. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into inversion dimers, and these dimers are further connected by O-H⋯O hydrogen bonds into a three-dimensional supra-molecular architecture. In addition, π-π inter-actions occur between pyridine and benzene rings from different qda ligands [centroid-centroid distance = 3.749 (1) Å] and the dihedral angles of the -CO(2)H and -CO(2) groups to the quinoline system are 8.47 (3) and 88.16 (6)°, respectively.

2,2'-Dimethyl-1,1'-[2,2-bis-(bromo-methyl)propane-1,3-di-yl]dibenzimidazole hemihydrate.

The title compound, C(21)H(22)Br(2)N(4)·0.5H(2)O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal-organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent mol-ecules are linked into a one-dimensional chain by π-π stacking inter-actions between imidazole groups of different mol-ecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) Å].

Bis(1,10-phenanthroline-5,6-dione-κN,N')silver(I) 2-hy-droxy-3,5-dinitro-benzoate.

In the cation of the title salt, [Ag(C(12)H(6)N(2)O(2))(2)](C(7)H(3)N(2)O(7)), the Ag(I) atom is coordinated in a distorted tetra-hedral geometry by four N atoms from two 1,10-phenanthroline-5,6-dione ligands, while the 3,5-dinitro-salicylate anion has only a short contact [2.847 (6) Å] between one of its O atoms and the Ag(I) atom. The dihedral angle between the two 1,10-phenanthroline-5,6-dione ligands is 58.4 (1)°. There is an intra-molecular O-H⋯O hydrogen bond in the 3,5-dinitro-salicylate anion.

2,4,5-Tris(pyridin-4-yl)-1H-imidazole monohydrate.

In the crystal structure of the title compound, C(18)H(13)N(5)·H(2)O, adjacent mol-ecules are linked by O-H⋯N and N-H⋯O hydrogen bonds, generating a chain propagating along [001].

Bis(azido-κN)bis-[6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine-κ(2)N(1),N(6)]manganese(II).

In the title complex, [Mn(N(3))(2)(C(8)H(8)N(6))(2)], the complete molecule is generated by the application of twofold symmetry, and is in a distorted octa-hedral environment, coordinated by four N atoms of two bidentate 6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine ligands and two N atoms from two azide anions. The two chelated 6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine ligands form a dihedral angle 74.75 (5)°. The mononuclear mol-ecules are alternatively linked into layers parallel to the ac plane via N-H⋯N hydrogen bonds. Adjacent layers are connected into a three-dimensional supra-molecular framework by futher N-H⋯N hydrogen-bonding inter-actions.

Poly[[tri-µ(3)-hydroxido-tris-(µ(4)-pyridine-2,5-dicarboxyl-ato)trineodymium(III)] monohydrate].

In the title compound, {[Nd(3)(C(7)H(3)NO(4))(3)(OH)(3)]·H(2)O}(n), the Nd(III) atom is eight-coordinated by the three O atoms of three asymmetrically µ(3)-bridging hydroxide groups, by four carboxyl-ate O atoms of four different pyridine-2,5-dicarboxyl-ate (2,5-pydc) ligands, and by the N atom of a 2,5-pydc ligand. Six Nd atoms are connected by six hydroxide groups, forming an [Nd(6)(µ(3)-OH)(6)] cluster unit of symmetry -3 and a slightly compressed octa-hedral geometry. Adjacent [Nd(6)(µ(3)-OH)(6)] clusters are connected by the 2,5-pydc ligands, via O and N atoms, forming chains along the c axis. The remaining O atoms of the 2,5-pydc ligands link these chains into a three-dimensional framework. A disordered water molecule, located on a threefold rotation axis at the opposite side of the [Nd(6)(µ(3)-OH)(6)] cluster and exposed to each of the three Nd atoms, completes the structure.

cyclo-Tetra-kis{µ-2,2'-dimethyl-1,1'-[2,2-bis-(bromo-meth-yl)propane-1,3-di-yl]di(1H-benzimidazole)-κN:N}tetra-kis-[bromidocopper(I)].

The title compound, [Cu(4)Br(4)(C(21)H(22)Br(2)N(4))(4)], features a macrocyclic Cu(4)L(4) ring system in which each Cu(I) atom is coordinated by one bromide ion and two N atoms from two 2,2'-dimethyl-1,1'-[2,2-bis-(bromo-meth-yl)propane-1,3-di-yl]di(1H-benzimidazole) (L) ligands in a distorted trigonal-planar geometry. The L ligands adopt either a cis or trans configuration. The asymmetric unit contains one half-mol-ecule with the center of the macrocycle located on a crystallographic center of inversion. Each bromide ion binds to a Cu(I) atom in a terminal mode and is oriented outside the ring. The macrocycles are inter-connected into a two-dimensional network by π-π inter-actions between benzimid-azole groups from different rings [centroid-centroid distance = 3.803 (5) Å.

Poly[(µ(2)-quinoline-3-carboxyl-ato-κN:O)(µ(2)-quinoline-3-carboxyl-ato-κN:O,O')cadmium].

In the title compound, [Cd(C(10)H(6)NO(2))(2)](n), the Cd(II) atom is coordinated by three O atoms and two N atoms from four quinoline-3-carboxyl-ate (L(-)) ligands, leading to a distorted trigonal-bipyramidal geometry. The L(-) ligands link the Cd(II) atoms into a plane parallel to (100), with one ligand being tridentate, coordinating via the N atom and chelating a second Cd atom, and the other being bidentate, bridging two Cd atoms via the N and one O atom.. This two-dimensional network extends into a double-layer network by π-π inter-actions, with centroid-centroid distances of 3.680 (2) and 3.752 (2) Å. Another type of π-π inter-action between pyridine rings [centroid-centroid distance = 3.527 (2) Å] leads to a three-dimensional supra-molecular architecture.

Effectiveness of Physical Activity Interventions on Cognition, Neuropsychiatric Symptoms, and Quality of Life of Alzheimer's Disease: An Update of a Systematic Review and Meta-Analysis.

The topic of physical activity interventions for the treatment of Alzheimer's disease (AD) has been discussed for decades, but there are still inconsistent views on the effect of its intervention in different studies. With the increase in randomized controlled trials (RCTs), it is necessary to update newly published studies and systematically evaluate the effects of physical activity interventions. Scientific citation databases (e.g., PubMed, EMBASE, etc.) and registration databases (e.g., ISRCTN, CHICTR, etc.) were checked to screen RCTs and systematic reviews of physical activity interventions in AD. Then extract and review the intervention methods and their evaluation results in the included studies. Spearman correlation method was used to test the association between the mean difference (MD) of intervention results and activity time. The Hedges'g method was used to combine continuous data to analyze the standard MD (SMD) of different intervention types or time subgroups. The overall results show that physical activity intervention can improve the cognition, neuropsychiatric symptoms and quality of life (Qol) of AD patients, but the duration of the intervention significantly affected the outcome of the assessment. Subgroup analysis results showed that an intervention duration of 2-5 months had a significant advantage: cognitive function (Minimum Mental State Examination: SMD = 0.47, 95% CI = 0.33 ∼ 0.61, P < 0.01), neuropsychiatric symptoms (Neuropsychiatric Inventory: SMD = -0.48, 95% CI = -0.85 ∼-0.11, P < 0.01), and quality of life (Qol-AD: SMD = 0.47, 95% CI = 0.23 ∼ 0.71, P < 0.01). The systematic review and analysis results of updated RCTs suggested that short-term (2-5 months) physical activity interventions were more beneficial in improving cognitive function, neuropsychiatric symptoms and Qol in patients with AD. And there was no evidence of differences in the effectiveness of different physical activity interventions.

Poly[[(µ-benzene-1,4-dicarboxyl-ato)bis-[µ-4-(1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthren-2-yl)benzoato]dizinc] tetra-hydrate].

In the title complex, [Zn(2)(C(8)H(4)O(4))(C(20)H(11)N(4)O(2))(2)]·4H(2)O, the Zn(II) atom is six-coordinated by two carboxyl-ate O atoms from one bidentate benzene-1,4-dicarboxyl-ate (1,4-BDC) ligand, two carboxyl-ate O atoms from two different monodentate 4-(1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthren-2-yl)benzoate (HNCP) ligands and two HNCP N atoms. The Zn(II) atoms are bridged by the centrosymmetric 1,4-BDC ligands, forming an extended single-chain structure. Neighbouring single chains are connected by the HNCP ligands from two opposite directions, resulting in a sheet. In addition, there are N-H⋯O hydrogen-bonding inter-actions between adjacent layers. As a result, the polymeric sheets are further extended into a three-dimensional supra-molecular structure.

2-Phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene.

There are two mol-ecules in the asymmetric unit of the title compound, C(19)H(12)N(4), with dihedral angles of 2.41 (10) and 10.53 (12)° between the fused ring system and the pendant phenyl ring. In the crystal, mol-ecules are linked into chains by N-H⋯N hydrogen bonds and aromatic π-π stacking inter-actions [shortest centroid-centroid distance = 3.6176 (16) Å] complete the structure.

A one-dimensional chain structure based on unusual tetranuclear manganese(II) clusters.

The title coordination polymer, poly[bis(mu(4)-biphenyl-2,2'-dicarboxylato)(dipyrido[3,2-a:2',3'-c]phenazine)manganese(II)], [Mn(2)(C(14)H(8)O(4))(2)(C(18)H(10)N(4))](n), was obtained through the reaction of MnCl(2).4H(2)O, biphenyl-2,2'-dicarboxylic acid (H(2)dpdc) and dipyrido[3,2-a:2',3'-c]phenazine (L) under hydrothermal conditions. The asymmetric unit contains two crystallographically unique Mn(II) ions, one unique L ligand and two unique dpdc ligands. One Mn ion is six-coordinated by four O atoms from three different dpdc ligands and two N atoms from one L ligand, adopting a distorted octahedral coordination geometry. The distortions from ideal octahedral geometry are largely due to the presence of chelating ligands and the resulting acute N-Mn-N and O-Mn-O angles. The second Mn ion is coordinated in a distorted trigonal bipyramidal fashion by five O atoms from four distinct dpdc ligands. Four Mn(II) ions are bridged by the carboxylate groups of the dpdc ligands to form an unusual tetranuclear Mn(II) cluster. Clusters are further connected by the aromatic backbone of the dicarboxylate ligands, forming a one-dimensional chain structure along the b axis. The title compound is the first example of a chain structure based on a tetranuclear Mn(II) cluster.

10,11,12,13-Tetrahydro-4,5,9,14-tetra-azadibenz[a,c]anthracene-benzene-1,4-dicarboxylic acid (2/1).

In the title adduct, 2C(18)H(14)N(4)·C(8)H(6)O(4), the centrosymmetric 1,4-benzene-dicarboxylic acid mol-ecule makes two O-H⋯·N hydrogen bonds to adjacent 10,11,12,13-tetra-hydro-4,5,9,14-tetra-azadibenzo[a,c]anthracene (TTBT) mol-ecules. Aromatic π-π stacking inter-actions occur between TTBT rings [centroid-centroid distance = 3.570 (3) Å], leading to a two-dimensional supra-molecular structure in the crystal.

Dichlorido(10,11,12,13-tetra-hydro-4,5,9,14-tetra-azabenzo[b]triphenyl-ene)cadmium(II) hemihydrate.

In the title compound, [CdCl(2)(C(18)H(14)N(4))(2)]·0.5H(2)O, the Cd atom assumes a distorted octa-hedral trans-CdCl(2)N(4) geometry arising from its coordination by two N,N'-bidentate 10,11,12,13-tetra-hydro-4,5,9,14-tetra-azabenzo[b]triphenyl-ene (TBBT) mol-ecules and two chloride ions. In the crystal, π-π aromatic stacking inter-actions between adjacent TTBT rings are seen, with a centroid-centroid distance of 3.604 (3) Å. An O-H⋯Cl hydrogen bond between the half-occupied water molecule and one chloride ion also occurs.

Bis(imidazo[4,5-f][1,10]phenanthroline)dinitratolead(II).

In the title compound, [Pb(NO(3))(2)(C(13)H(8)N(4))(2)], the Pb(II) atom (site symmetry 2) is hexa-coordinated by four N atoms from two N,N'-bidentate imidazo[4,5-f][1,10]phenanthroline (L) ligands and two O atoms from two weakly coordinated nitrate ions [Pb-O = 2.872 (5) Å] in an irregular arrangement, which may be ascribed to the stereochemically active lone pair of electrons on the metal ion. In the crystal, inter-molecular bifurcated N-H⋯(O,O) hydrogen bonds connect the mol-ecules into chains propagating along [100]. Adjacent chains inter-act by strong aromatic π-π stacking inter-actions, with a centroid-centroid distance of 3.483 (2) Å.

Syntheses, crystal structures, adsorption properties and visible photocatalytic activities of highly stable Pb-based coordination polymers constructed by 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline and bridging linkers.

Five highly stable coordination polymers assembled by 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline (2-HNCP) and different aromatic carboxylic acid ligands, namely, [Pb(2-NCP)(L1)]n (1), [Pb2(2-NCP)2(L2)]n·2nH2O (2), [Pb2(2-NCP)2(L2)]n (3), [Pb(2-NCP)(L3)0.5]n (4) and [Pb2(2-NCP)2(L4)]n (5), where HL1 = pyridine-4-carboxylic acid, H2L2 = 2-amino-1,4-benzenedicarboxylic acid, H2L3 = 1,4-benzenedicarboxylic acid and H2L4 = 2-hydroxy-1,4-benzenedicarboxylic acid, have been synthesized under hydrothermal conditions. Their structures have been determined by single crystal X-ray diffraction analyses and further characterized by elemental analyses and infrared spectroscopy. In 1, adjacent ladder-like chains are extended into a three-dimensional (3D) supramolecular architecture by π-π interactions. In 2, the neighboring layers are interconnected by π-π interactions to afford a 3D supramolecular architecture. 3-5 exhibit similar 3D frameworks with a Schläfli symbol of 412·63 topologies. The different auxiliary ligands and the pH value of the reaction system were discussed in regard to the formation of different structures. In addition, these five complexes present high thermal stabilities, the preferential adsorption of CO2 over N2 and excellent photocatalytic activities for dye degradation under visible light irradiation.