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Schizophrenia is a group of the most common types of mental illness. Commonly used antischizophrenia drugs all increase mortality to some extent. The increased risk of death in older individuals and patients with dementia using atypical antipsychotics may be due to myocardial damage, increased mobility and increased risk of stroke.

To scientifically evaluate the intervention effect of Chinese medicine preventive administration(combined use of Huo-xiang Zhengqi Oral Liquid and Jinhao Jiere Granules) on community population in the case of coronavirus disease 2019(COVID-19), a large cohort, prospective, randomized, and parallel-controlled clinical study was conducted. Total 22 065 subjects were included and randomly divided into 2 groups. The non-intervention group was given health guidance only, while the traditional Chinese medicine(TCM) intervention group was given two coordinated TCM in addition to health guidance. The medical instructions were as follows. Huoxiang Zhengqi Oral Liquid: oral before meals, 10 mL/time, 2 times/day, a course of 5 days. Jinhao Jiere Granules: dissolve in boiling water and take after meals, 8 g/time, 2 times/day, a course of 5 days, followed up for 14 days, respectively. The study found that with the intake of medication, the incidence rate of TCM intervention group was basically maintained at a low and continuous stable level(0.01%-0.02%), while the non-intervention group showed an overall trend of continuous growth(0.02%-0.18%) from 3 to 14 days. No suspected or confirmed COVID-19 case occurred in either group. There were 2 cases of colds in the TCM intervention group and 26 cases in the non-intervention group. The incidence of colds in the TCM intervention group was significantly lower(Plt;0.05) than that in the non-intervention group. In the population of 16-60 years old, the incidence rate of non-intervention and intervention groups were 0.01% and 0.25%, respectively. The difference of colds incidence between the two groups was statistically significant(Plt;0.05). In the population older than 60 years old, they were 0.04% and 0.21%, respectively. The incidence of colds in the non-intervention group was higher than that in the intervention group, but not reaching statistical difference. The protection rate of TCM for the whole population was 91.8%, especially for the population of age 16-60(95.0%). It was suggested that TCM intervention(combined use of Huoxiang Zhengqi Oral Liquid and Jinhao Jiere Granules) could effectively protect community residents against respiratory diseases, such as colds, which was worthy of promotion in the community. In addition, in terms of safety, the incidence of adverse events and adverse reactions in the TCM intervention group was relatively low, which was basically consistent with the drug instructions.

Lone pair–π interaction is an important but less studied binding force. Naphthalene diimides (NDIs) are ideal to form such an interaction because their quadrupole moment is exceptionally positive. Here, we report the combination of NDI ligands bearing two divergently oriented pyridyl units with different metal nitrates in different solvents resulting in six neutral 1-D coordination networks, in which the nitrate anions not only serve as capping ligands to coordinate to metal centers but also provide lone pairs to interconnect with the π-acidic NDI ligands through lone pair–π interactions. Interestingly, such lone pair–π interactions are found to have a synergic effect on the coordination interactions of the aforementioned NDI ligands with metal ions. In other words, metal-ion-directed self-assembly of NDI ligands is supposed to be driven by cooperative lone pair–π and coordination interactions.

Two unsymmetrical phthalocyanines (Pcs) having a strong tendency toward forming aggregations were synthesized and the electronic absorption spectral studies revealed that their monomers are much easier to be protonated or decomposed than the aggregations in acidic or oxidative conditions. Before being protonated or decomposed, the aggregations are always disassembled into the monomers in the solutions. This conclusion is undoubtedly of considerable realistic significance for the practical application as molecular catalysis.

Thirty-two Wistar rats were divided randomly into four groups of eight with six females and two males in each group. The rats were exposed to high fluoride drinking water (45 mg F− L−1 from 100 mg NaF L−1), low dietary iodine (0.0855 mg kg−1), or both together in order to assess the effects of these three regimens on the thyroid function of the offspring rats. After the animal model was established, the offspring rats were bred and 10-, 20-, 30-, 60-, and 90-d-old rats were used for the experiment. The treatments for the offspring rats were the same as those of their parents. In comparison with control rats, the relative thyroid glands were changed by three regimens, but the mean values of thyroid weight in the experimental groups saw no marked difference. Serum TT3 levels were increased in all stages in the low iodine (LI) group. In the high fluoride (HiF) group, increase in TT3 levels was observed except in 20-d-old rats. Decrease in TT3 at 20- and 90-d and increase in TT3 at 30- and 60-d were found in HiF+LI group. Serum TT4 levels first saw an increase, and then dropped in the LI and HiF+LI group. However, an increase in TT4 was found in the HiF group. The levels of TSH in serum rocketed at d 20, and then dropped in the next stages in experimental groups. The results suggested that thyroid disorder could be induced by high flroride in drinking water, low iodine diet, or both of them. Exposure time to fluoride or low iodine diet was one of the important factors that fluoride can induce the development of thyroid dyfunction.

The microstructure and the kinetics of β-Mg17Al12phase transformation during annealing process for warm-rolled AZ91 magnesium alloy were investigated. The results showed that few twins were found in solid state AZ91 magnesium alloy after warm rolling, which provides energy for β-Mg17Al12particles to nucleate and growth; the β-Mg17Al12particles were prior to form at α-Mg, twin grains boundary and especially the place of high energy; by the annealing time extending, the quantity of β-Mg17Al12particles increased. And combined with the experimental data and the JMAK equation, the fitting equation of Kinetics of β-Mg17Al12phase transformation was built. During annealing process, the twin grains disappeared and the original bulky organization was replaced by recrystallization grain, while the grain refinement was obvious with the grain reduction to 20-60μm.

Using the hydrothermal synthetic method, two cadmium complexes (1 and 2) with an identical chemical formula of [Cd(ABTC)2]n (ABTC = 2-aminobenzothiazole-6-carboxylic acid) but completely different topologies were prepared at two different pH values of reaction solution, 5.3 and 7.3, respectively. Reaction with a pH in between resulted in a mixture of 1 and 2, and the ratio of two products was proportional to pH value of the reaction condition.

Zinc phthalocyanine (ZnPc) is a promising photosensitizer for photodynamic therapy, but faces some challenges: ZnPc is insoluble in water and thus requires either special formulation of ZnPc by, e.g., liposome or Cremophor EL, or chemical modification of Pc ring to enhance its bioavailability and photodynamic efficacy. Here, we conjugated monosubstituted ZnPc-COOH with a series of oligolysine moieties with different numbers of lysine residues (ZnPc-(Lys)(n) (n = 1, 3, 5, 7, 9) to improve the water solubility of the ZnPc conjugates. We measured the photosensitizing efficacies and the cellular uptakes of this series of conjugates on a normal and a cancerous cell line. In addition, we developed a sensitive in situ method to distinguish the difference in photodynamic efficacy among conjugates. Our results showed that ZnPc-(Lys)(7) has the highest photodynamic efficacy compared to the other conjugates investigated.

Urokinase-type plasminogen activator (uPA) is one of the two physiological serine proteases responsible for the activation of plasminongen to plasmin. uPA activity is regulated by its inhibitors (PAI-1 and PAI-2) and its receptor (uPAR), and an expanding list of their interacting proteins. In addition to plasminogen activation, this system also plays important roles in the regulation of many cellular processes including cell proliferation, adhesion and migration. It is beyond reasonable doubt that this enzyme system plays a central role in tumor biology and represents a high potential target for therapeutic intervention of tumor growth and metastasis. During the past fifteen years, crystal structures of uPA and its inhibitors have facilitated the development of uPA inhibitors. Many crystal structures of proteins in the uPA/uPAR system have also been reported recently, especially a series of structures of uPAR and its complexes with vitronectin and uPA, facilitating the development and evaluation of uPAR inhibitors. Recent progress on uPA inhibitors will be summarized in this article. The unique structural features and the druggable potentials of these new structures will also be discussed.

In the last decades the worldwide rise in antibiotic resistance has intensified the development of new antimicrobial agents. Photodynamic antimicrobial chemotherapy (PACT) has been used successfully to inactivate bacteria. We herein report a new zinc phthalocyanine based photosensitizer conjugated with polylysine moiety ( ZnPc-PL ). This photosensitizer significantly inactivated Porphyromonas gingivalis, the primary pathogenic bacteria responsible for periodontitis. No obvious phototoxicity was found to either mammalian bone marrow stromal cells (BMSC) or human periodontal ligament cells (HPDLC), indicating the high selectivity of ZnPc -PL toward bacteria. Furthermore, we established an experimental periodontitis model on beagle dogs to test the antimicrobial efficacy in vivo. The amount of gingival crevicular fluid (GCF) and the activity of crevicular fluid aspartate aminotransferase (AST) were monitored and were found to reduce significantly in the ZnPc-PL treated group compared to the controls (laser only and no treatment). In addition, PACT with ZnPc -PL caused a reduction in the bacterial burden by 100-fold compared to controls. Taken together, these findings suggest ZnPc-PL is a promising antimicrobial photosensitizer for the treatment of periodontal diseases.

Accurate quantification of quizalofop-p-ethyl is essential for it may do harm to humans and animals through both water and food. Currently, detection of quizalofop-p-ethyl mainly relies on methods such as gas chromatography, high performance liquid chromatography, and gas chromatography−mass spectrometry. Although these techniques are reliable, they are relatively expensive and time-consuming because of multistep sample cleanup. To address this, we developed a competitive indirect enzyme-linked immunosorbent assay (ciELISA) with a polyclonal antibody against quizalofop-p-ethyl that was generated in our lab. The IC50 of detection was 0.03495 μg/mL, and the lowest detection limit reached 0.00192 μg/mL. Furthermore, the method had high specificity for it did not cross-react with other structure-related compounds. When water and soil samples that were fortified with quizalofop-p-ethyl were analyzed by this ELISA, recoveries were in the range of 89−110% from water and 81−108% from soil. Good correlations betwe...

The stabilities of phthalocyaninatometals are reduced seriously by the substitution of bulky alkoxyl substituents. In the toluene, tetra-α-(2,2,4-trimethyl-3-pentoxy)phthalocyaninatometals can be decomposed by the benzoyl peroxide, and the order of decomposition rate sorted with the center metals is Fe > Co > Cu > Ni > Pd, which showed a consistency with the axial coordination abilities of the center metals.

For coordination with two pyridines at the axis, the ring skeleton of octakispentoxyphthalo- cyaninatocopper maintains planar conformation, different from the structure of octakisbutoxy- phthalocyaninatocopper reported previously. The structure shows all molecules stacked along the b axis to form a one-dimensional molecular chain; neighboring molecules in the chain are arranged as J-aggregates, consistent with its crystal diffuse reflectance spectroscopy (DRS) having a red shift compared with its electronic absorption spectroscopy in pyridine.

Four non-peripheral alkyloxy substituted metal-free phthalocyanines have been synthesized and characterized with X-ray crystal structure, IR, UV-vis and H-1 NMR. It is found that the center caves of Pc skeletons were expanded but their ring currents were reduced by the introduction of alkyloxy substituents on the non-peripheral positions. (c) 2006 Elsevier B.V. All rights reserved.

A series of octa-substituted metal phthalocyanines [MPc(OC5H11)8] (M = Co, Ni, Cu, Zn, Pc = phthalocyaninato, (OC5H11)8 = iso-pentoxy) were obtained from condensation of iso-pentoxy phthalonitrile in the presence of DBU in n-pentanol. The compounds were characterized using elemental analysis, IR, and UV/Vis spectra. The crystal structures of all compounds except M = Zn were determined by X-ray diffraction methods. It was found that the distortion of Pc skeleton come of not only the intra-molecular steric congestion of bulky substituents, but also the slipped overlaps of the closest molecules. The relations of some bond lengths of the Pc's skeleton to the substituents and central metal atom, as well as the spectroscopic properties are discussed.

Three aryloxy (alkoxy) α-substituted phthalocyaninatoirons (FePcs) were prepared and their UV–vis spectra in air or by adding of peroxide showed a new band at the red side of the Q band which can be assigned to a complexes of phthalocyaninatoirons with oxygen or peroxide. The appearance of this band related to the instability of these FePcs so their decomposition was also studied, by the benzoylperoxide oxidation.

A new substituted tetra-(4-octanethiol-5-nitro)phthalocyaninatocopper complex was synthesized by nucleophlic substitution of tetra-(4-bromo-5-nitro)phthalocyaninatocopper where the bromo activated by an ortho-nitro group is easily substituted by 1-octanethiol.

Two α-substituted vanadium-oxo phthalocyanines, [( OC 6 H 3(t- Bu )2)4Pc] VO and [( OC 8 H 17)4Pc] VO , where OC 6 H 3(t- Bu )2 is 2,4-di-tert-butylphenoxy and OC 8 H 17 is 2,2,4-tri-methyl-3-pentoxy, were synthesized and characterized by elemental analysis, mass spectrometry, UV-visible, IR, ESR spectroscopy and electrochemistry. Both complexes have good solubility and do not aggregate in polar or non-polar solvents. Three reductions and two oxidations can be observed in DMF containing 0.2 M TBAP. A HOMO-LUMO gap of ~1.4 V is seen for both complexes. The first two one-electron reductions and first oxidation are reversible diffusion controlled electrode processes under the given experimental conditions. The effects of solvent and phthalocyanine macrocycle substituents on the Q bands of the electronic absorption spectra are discussed.

The title compound, [Zn(C(32)H(16)N(8))(C(5)H(6)N(2))].2C(4)H(8)O, consists of one (phthalocyaninato)zinc (ZnPc) unit, a coordinated 4-aminopyridine (4-ap) molecule and two tetrahydrofuran (THF) solvent molecules. The central Zn atom is (4+1)-coordinated by four isoindole N atoms of the Pc core and by the pyridine N atom of 4-aminopyridine. The Zn atom is displaced by 0.4464 (8) A from the isoindole N(4) plane towards the pyridine N atom. The crystal structure is stabilized by intermolecular amine-phthalocyaninate N-H...N hydrogen bonds and pi-pi interactions between the aggregated Pc rings, which form molecular layers, and by weak van der Waals interactions between the layers. As well as hindering the aggregation of ZnPc molecules by occupying an axial position, the amino group will add new interactions which will favor applications of ZnPc, for example, as a sensitizer of photodynamic therapy.

The crystal structure of 1, 15-bis-(2′,2′,4′-trimethyl-3′-pentoxy)phthalocyanine was determined what confirmed the ‘cross condensation’ method for the ABAB type phthalocyanine and the trans-form arrangement of the two substituents suggested that the alkoxy group also affected the condensation mechanism.

Phthalocyanine zinc (ZnPc) is an important class of photosensitizers. Derivatization of phthalocyanine ring with chemical functional groups provides anchor points for covalent attachment of biological targeting agents, thus increasing the selectivity of the photosensitizers. ZnPc with symmetric and multiple functional groups, e.g., tetracarboxyphthalocyanine zinc, is easy to be prepared but is unfavorable for linking targeting agents due to many reasons. On the other hand, single-substituted ZnPc, is more challenging to synthesize and, especially, to purify. Here we report the synthesis of an unsymmetrical phthalocyanine, 2-carboxyphthalocyanine zinc 1, with a single carboxylic group on phthalocyanine ring, and the design of its chromatographic purification.

In a μ-oxo-bis(phthalocyaninato)iron prepared from ferrocene and phthalonitrile, one phthalocyaninatoiron is coordinated with pyridine and the other with tetrahydrofuran, respectively. The one with pyridine coordinated exhibits a dome-like conformation and other with tetrahydrofuran exhibits a saddle shape.

The crystal structure of 1,4,8,11,15,18,22,25-octaethyloxyphthalocyaninatocopper was determined by X-ray diffraction. The ring skeleton distortion is shown, which not only attributed to inter-molecular steric congestion of substituents but also to the less overlap of the skeletons.

In the title compound, C19H22N2O4, the dihedral angle between the aromatic rings is 67.33 (2)°. In the crystal, molecules are linked through N—H...O and O—H...O hydrogen bonds, generating a two-dimensional network lying parallel to (100). As a result of the twist of the molecular skeleton and the hindrance of the tert-butyl groups, no π–π interactions exist between the aromatic rings.

In the zwitterionic title compound, C17H11NO5, the dihedral angle between the two aromatic rings is 76.90 (7)°. The dihedral angles between the carboxyl groups and the benzene ring are 64.02 (9) and 21.67 (9)°, the larger angle being associated with an intramolecular N—H...Ocarboxyl hydrogen bond, resulting from proton transfer from the carboxylic acid group to the quinoline N atom and giving an S(9) ring motif. In the crystal, molecules are connected by O—H...O hydrogen bonds into chains extending along the b-axis direction. An overall two-dimensional network structure is formed through π–π interactions between the quinoline rings [minimum ring-centroid separation = 3.6068 (6) Å].

The title complex, [Pb(C(8)H(5)N(2)O(2)S)(2)](n), consists of one Pb(II) ion located on a crystallographic twofold axis and two symmetry-related 2-amino-1,3-benzothia-zole-6-carboxyl-ate (ABTC) ligands. The central Pb(II) ion has a (4 + 2) coordination by four O atoms of the two ABTC ligands and two weaker Pb-S bonding inter-actions (Pb-S secondary bonds) from S atoms of other two neighbouring ABTC ligands. These bonds link the metal ions into zigzag chains along the c axis, which, in turn, aggregate through π-π inter-actions [centroid-centroid distance = 3.7436 Å] between ABTC rings and N-H⋯O and N-H⋯N hydrogen bonds.

Due to the nonlinear and nonstationary of river water turbidity, a novel hybrid forecasting model based on phase space reconstruction and support vector regression (PSR-SVR) is proposed. Firstly, the embedding dimension is chosen by using the false nearest neighbor method, and the time delay is obtained by the average mutual information. The phase space is reconstructed from the time series with the embedding dimension and the time delay got. The reconstructed time array is used as the input signal of support vector regression network. Then the forecasting model is established. Utilizing the model to forecast the river water turbidity, and it shows the accuracy of this new forecasting model is superior to RBF and BP forecasting methods.

The title compound C19H27N3O3S, crystallizes with two unique molecules in the asymmetric unit. The benzene ring of each benzothiazole unit carries a dipropylcarbamoyl substituent in the 6-position and a tert-butyl carbamate unit on each thiazole ring. In the crystal structure, intermolecular N—H...N and weak C—H...O hydrogen bonds form centrosymmetric dimers. Additional C—H...O contacts construct a three-dimensional network. A very weak C—H...π contact is also present.

In the crystal of the title compound, C15H18N2O4S, inversion dimers are formed by intermolecular N—H...N hydrogen bonds and weak C—H...O contacts. These dimers stack up along [100] through inversion-related π–π interactions between thiazole rings [centroid–centroid distance = 3.790 (2) Å] and the thiazole and benzene rings [centroid–centroid distance = 3.845 (2) Å] and C—H...π contacts.

The protonation abilities of phthalocyaninatometals (MPcs) increase but their stabilities reduce by the introduction of alkoxyl substituents at α position. In the toluene, the order of mono-protonation rate for the tetra-α-(2, 2, 4-trimethyl-3-pentoxy)phthalocyaninatometals sorts with the center metals is Zn > Co > Cu > Ni > Fe, which is opposite to the order of their wavelength difference between the Q bands and X bands. However, their mono-protonated species can be decomposed easily at the rate order FePc > CoPc > CuPc > NiPc > ZnPc, analogous to their decomposition abilities in the benzoylperoxide (BPO) oxidation. In addition, it is interesting that a more remarkable decomposition is found when partial CuPc was mono-protonated.

Two kinds of substituted phthalocyaninatozinc, tetra-beta-phthalimidobutoxy phthalocyaninatozinc (1) and tetra-beta-phthalimidomethyl phthalocyaninatozinc (2), were synthesized by mix melting method, which bear the same phthalimide substituents but the linking of the substituents to the phthalocyanine ring is different. The substituent linking to the phthalocyanine ring is one methylene in ZnPc (2), while the substituents linking to the phthalocyanine ring is four methylenes and one ather in ZnPc (1), in which ather is near by phthalocyanine ring. The absorption and fluorescence spectra and the abilities of singlet oxygen generation of these two phthalocyanines were compared with respect to the effect of different linked fashions. The magnitude of the redshift of absorption and fluorescence spectra relative to unsubstituded ZnPc is greater for tetra-beta-phthalimidobutoxy phthalocyaninatozinc (1) than for tetra-beta-phthalimidomethyl phthalocyaninatozinc (2). This result is related to the presence of stronger electron donating peripheral substituents of ZnPc (1), with phiF of (1) is larger than that of (2) and the abilities of singlet oxygen generation of (1) is smaller than that of (2).

The absorption spectral properties, fluorescence spectral properties and the abilities of photo-generating singlet oxygen of four phthalocyanines, namely tetra-alpha-(2,2,4-trimethyl-3-pentoxy) phthalocyaninatopalladium (zinc) and tetra-alpha-(2,4-diterbutylphenoxy) phthalocyaninatopalladium (zinc), were determined. Experimental results show that the ability of photo-generating singlet oxygen of phthalocyaninatopalladium is similar to that of phthalocyaninatozincx, though palladium(II) is an open shell electron structure and zinc( II ) is a closed shell structure. This may be concerned with a weak flourescence intensity and a strong inter-crossing transition of phthalocyaninatopalladium.

A dialkyloxy substituted metal-free phthalocyanine was synthesized by using 3-(2',2',4'-trimethyl-3'-pentoxy)-1,3-diiminoisoindoles and 1,3,3-trichloroisoindolenine as starting materials, and characterized by element analysis, 1H NMR, IR and UV/Vis spectra. The dependences of wavelength of UV/Vis spectra and its split of Q band absorption on the number of substituents and, dielectric constant of solvents are discussed based on the comparison with tetraalkyloxy substituted metal-free phthalocyanine.

In the title compound, C17H9N3O2, the phthalonitrile group and the isoindole-1,3-dione group lie in approximately orthogonal planes and exhibit a dihedral angle of 92.76 (8)°. Partial face-to-face overlap is observed between the two groups. In addition, the crystal packing is stabilized by C—H⋯O and C—H⋯N inter­actions.

The title compound, C20H15N3O3, consists a phthalo­nitrile group and an iso­indole-1,3-dione group connected by a flexible butoxy chain. The dihedral angle between these two groups is 70.47 (3)°. Partial face-to-face overlap between the phthalo­nitrile groups of centrosymmetrically related mol­ecules is observed. In addition, the crystal packing is stabilized by C—H⋯O hydrogen bonds.

Hydrothermal reactions of divalent transition metal salts with two different-sized tetrazole-yl acylamide ligands, N-(1H-tetrazol-5-yl)acetamide (H-NTAA) and N-(1H-tetrazol-5-yl)propionamide (H-NTPA), led to six crystalline coordination polymers, named Cd(NTAA)2 (1), Zn(NTAA)2·∼H2O (2), Cu(NTAA)2 (3), Mn(NTAA)2 (4), Cd(NTPA)2 (5), Mn(NTPA)2 (6), respectively. The X-ray diffraction analysis revealed that compound 2 is a 1D zigzag chain, compounds 3 and 4 exhibit an interesting 2D 44-sql network, while compounds 1, 5 and 6 possess a 3D non-interpenetrated diamondoid framework. Wherein, compounds 1, 4, 5 and 6 crystallized in an acentric space group with significant second harmonic generation (SHG) efficiencies. The effect of metal ions and that of small aliphatic acyl side-groups in semirigid tetrazole-yl acylamide ligands on the structural topologies and symmetries of generated coordination polymers are discussed.