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AIM: To define the predictive factors of severe retinopathy of prematurity (ROP) and develop a nomogram for predicting severe ROP in southeast China. METHODS: Totally 554 infants diagnosed with ROP hospitalized in the Second Affiliated Hospital and Yuying Children's Hospital of Wenzhou Medical University and hospitalized in Taizhou Women and Children's Hospital were included. Clinical data and 43 candidate predictive factors of ROP infants were collected retrospectively. Logistic regression model was used to identify predictive factors of severe ROP and to propose a nomogram for individual risk prediction, which was compared with WINROP model and Digirop-Birth model. RESULTS: Infants from the Second Affiliated Hospital and Yuying Children's Hospital of Wenzhou Medical University (n=478) were randomly allocated into training (n=402) and internal validation group (n=76). Infants from Taizhou Women and Children's Hospital were set as external validation group (n=76). Severe ROP were found in 52 of 402 infants, 12 of 76 infants, and 7 of 76 infants in training group, internal validation group, and external validation group, respectively. Birth weight [odds ratio (OR), 0.997; 95% confidence interval (CI), 0.996-0.999; P

Garcinia xanthochymus has been widely used in traditional Chinese medicine for expelling worms and removing food toxins. Bioassay-guided fractionation of an EtOAc-soluble extract of G. xanthochymus stem bark led to the isolation of six new xanthones. Their structures were elucidated by spectroscopic methods, especially 2D-NMR techniques. Free-radical-scavenging activities of the isolated compounds were elucidated through DPPH method. Most of the isolated compounds showed considerable free radical scavenging activity on DPPH assay. Compound 1 exhibited effective antioxidant scavenging activity against DPPH radical with an IC50 value of 19.64 μM, and compound 6 showed the lowest activity among all the tested molecules, with an IC50 value of 66.88 μM. These findings support the notion that the plant genus Garcinia is a good source of bioactive compounds.

In the title compound, C26H23ClFN5O2S2, the mean plane of the guanidine fragment makes dihedral angles of 58.94 (13), 78.37 (17) and 50.76 (15)°, respectively, with the attached thiazole, pyridine and phenyl rings. The crystal structure features N—H...S and C—H...O hydrogen bonds and weak π–π stacking interactions [centroid–centroid separation = 3.7702 (17) Å]. The terminal methyl group of the ethoxycarbonyl group is disordered over two orientations in a 0.836 (10):0.164 (10) ratio.

In the title compound, C19H15FN4S2, the mean plane of the thiazolopyrimidine makes a dihedral angle of 77.6 (1)° with the attached phenyl ring. The crystal packing is stabilized by intermolecular C—H...N hydrogen bonds and weak C—H—π stacking interactions.

In the title compound, [Ir(C10H8N3)(C11H8N)2], the Ir center is octahedrally coordinated by the three chelating ligands, with two cyclometalated 2-pyridylphenyl ligands [Ir—N = 2.049 (5) and 2.030 (5) Å; Ir—C = 2.016 (6) and 2.012 (6) Å] and a bidentate 2-(phenyldiazenyl)pyrrolate ligand [Ir—N = 2.204 (5) and 2.079 (5) Å]. The Ir—N(diazenyl) bond is longer than the Ir—N(pyrrolate) bond. The structure is stabilized by aromatic π–π stacking, the shortest parallel distance between ring centroids being 3.426 (8) Å..

In the crystal structure of the title compound, C14H14F3O7P, the central chain, which connects the phosphate bicyclic system and the benzene ring, is made up of an approximately planar C—C(O)—O—C(H2) fragment and a C(H2)—O—C(Ph) link; the mean planes make a dihedral angle of 75.9 (2)°. The F atoms are disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.

In the title molecule, C21H25NO2, the dihedral angle between the two benzene rings is 4.8 (2)°. Both the ethyl group of the ester group and one of the ethyl groups attached to the N atom are disordered over two sites, the approximate occupancies being 66:34 and 81:19, respectively. In the cystal structure, there are no direction-specific interactions.

In the molecule of the title compound, C17H15BrO3, the rings make a dihedral angle of 75.54 (17)°. In the crystal structure, intermolecular C—H...O hydrogen bonds link the molecules into centrosymmetric dimers, and the π-stacked dimers interact with neighbouring dimers via C—H...π stacking interactions.

A new xanthone derivative, garcinexanthone F (), which was found to possess an α, β-unsaturated γ-lactone moiety, and a new bisxanthone, bigarcinenone B (), with a terpene bridge providing the xanthonexanthone linkage, were isolated from the bark of Garcinia xanthochymus. Their structures were elucidated by spectroscopic methods, especially 2D-NMR techniques. The antioxidant assay in vitro showed that compounds and exhibited significant scavenging activities against 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical with IC values of 22.32 and 20.14 μ, and against HO radical with IC values of 1.16 and 2.85 μ, respectively. [ABSTRACT FROM AUTHOR]

Sixteen 5-alkylamino-3,6-diaryl-2-thioxo-2,3,6,7-tetrahydrothiazolo[4,5-d]pyrimidin-7-ones were designed and easily synthesized via a tandem aza-Wittig reaction. The iminophosphorane , obtained from reaction of with triphenylphosphine, hexachloroethane and EtN, reacted with aromatic isocyanate to give carbodiimide . carbodiimide reacted with alkylamines to provide the title compounds in 45-61% isolated yields in presence of catalytic amount of ethoxide. The structures of compounds were confirmed by H NMR, IR, MS, and elemental analysis. J. Heterocyclic Chem., 2011. [ABSTRACT FROM AUTHOR]

Garcinia xanthochymus has been widely used in traditional Chinese medicine for expelling worms and removing food toxins. Bioassay-guided fractionation of an EtOAc-soluble extract of G. xanthochymus stem bark led to the isolation of six new xanthones. Their structures were elucidated by spectroscopic methods, especially 2D-NMR techniques. Free-radical-scavenging activities of the isolated compounds were elucidated through DPPH method. Most of the isolated compounds showed considerable free radical scavenging activity on DPPH assay. Compound 1 exhibited effective antioxidant scavenging activity against DPPH radical with an IC50 value of 19.64 μM, and compound 6 showed the lowest activity among all the tested molecules, with an IC50 value of 66.88 μM. These findings support the notion that the plant genus Garcinia is a good source of bioactive compounds. [ABSTRACT FROM AUTHOR]

A series of new 2-substituted tetrahydrobenzo[4',5']thieno[3',2':5,6]pyrido[4,3-d] pyrimidin-4(3H)-ones 5 has been designed and synthesized via an aza-Wittig reaction. Iminophosphorane 3a or iminophosphorane 3b reacted with 4-Cl-phenyl(or 4-F-phenyl) isocyanate to give carbodiimide 4a or carbodiimide 4b, which were further treated with phenols to cyclize to give compounds 5 in presence of a catalytic amount of K2CO3. The structures of compound 5 have been confirmed by 1H NMR, EI-MS, IR spectroscopy, and elemental analyses. [ABSTRACT FROM AUTHOR]

In an attempt to discover novel compounds with high activity and low toxicity, a series of new O,O-dimethyl-α-(substituted phenoxyacetoxy)-2-pyridyl methyl phosphinates, 5a-5h, have been designed and synthesized by the reaction of substituted phenoxyacetic chloride with 1-hydroxy-2-pyridyl methyl phosphinate, The structures of all new compounds were characterized by elementary analysis, IR, 1H NMR, and MS spectroscopies. The results of preliminary bioassay indicate that most of the target compounds have excellent inhibitory activities on barnyard grass and rape. [ABSTRACT FROM AUTHOR]

Phosphorus-containing agrochemicals have made a major contribution to the advancement of agriculture in China. Current status about production and usages of organophosphorus agrochemicals in China is reviewed in this article. Development of new organophosphorus agrochemicals including insecticide, herbicide, and anti-TMV agent in recent years is introduced. Recent progress in research and development of α -(Substituted phenoxyacetoxy)alkylphosphonates is then described: α -(Substituted phenoxyacetoxy)alkylphosphonate II as a kind of potential agrochemicals was found on the basis of the study of a series of α -oxophosphonic acid derivatives I in our Lab. Some compounds II were demonstrated as effective inhibitors of pyruvate dehydrogenase complex from plant (in vitro) and showed notable herbicidal activity against broad-leaved weeds. Compound HW02 as a potential herbicide was evaluated and developed. [ABSTRACT FROM AUTHOR]

A series of new 2-substituted 3-(4-chlorophenyl)-5,8,9-trimethylthieno[3′,2′: 5,6]pyrido[4,3-d]pyrimidin-4(3H)-ones 8 were synthesized via an aza-Wittig reaction. Phosphoranylideneamino derivatives 6a or 6b reacted with 4-chlorophenyl isocyanate to give carbodiimide derivatives 7a or 7b, respectively, which were further treated with amines or phenols to give compounds 8 in the presence of a catalytic amount of EtONa or K2CO3. The structure of 2-(4-chlorophenoxy)-3-(4-chlorophenyl)-5,8,9-trimethylthieno[3′,2′: 5,6]pyrido[4,3-d]pyrimidin-4(3H)-one (8j) was comfirmed by X-ray analysis. [ABSTRACT FROM AUTHOR]

The carbodiimides 2, obtained from aza-Wittig reactions of iminophosphorane 1 with aromatic isocyanates, reacted with hydrazine to give selectively 3-amino-2-arylamino-5,6,7,8-tetrahydro-benzothieno[2,3-d]pyrimidin-4(3H)-ones 4. Reactions of 4 with triphenylphosphine, hexachloroethane and Et3N produced iminophosphoranes 5. A tandem aza-Wittig reaction of iminophosphorane 5 with isocyanate, acyl chloride or CS2 generated 6,7,8,9-tetrahydro-benzothieno[2,3-d]-1,2,4-triazolo[1,5-a]pyrimidin-10(3H)-ones 7, 9 or 11 in satisfactory yields. [ABSTRACT FROM AUTHOR]

Someα-OxoPhosphonate monolithium salts were synthesized by a facile one-step procedure. In this way,α-(2,4-dichlorophenoxyacetoxy)alkyl phosphonic acid dimethyl esters5can be transformed into the corresponding phosophonate monolithium salts6without influence on the carboxylic ester group under mild conditions. [ABSTRACT FROM AUTHOR]

The article presents information on 5-Methyl-2-(2-nitrophenyloxy)-3-p-tolyl- 8,9,10,11-tetrahydrobenzo[4',5']thieno-[3',4':5,6]pyrido[4,3-d]pyrimidin-4(3H)-one, a heterocyclic compound, and its molecular structure. In the compound, there are three fused heterocyclic rings, which are coplanar. The crystal shows intermolecular C–H⋯O hydrogen-bonding interactions. The C–S bond lengths are longer as compared to that in free thiophene. Derivatives of heterocyclic compounds containing pyridine have many applications, because they possess significant biological activity.

Eight of novel fluoro-substituted phosphonate derivatives were synthesized and the preliminary bioassay indicated that these compounds exhibited herbicidal activities. [ABSTRACT FROM AUTHOR]

Ten α-hydroxyphosphates were synthesized and the preliminary bioessay indicated that these compounds exhibited certain herbicidal activities. [ABSTRACT FROM AUTHOR]

A new and facile route to synthesize 2-substituted pyrano[2,3-d]pyrimidin-4(3H)-ones derivatives using iminophosphorane from easily obtained starting materials was investigated and expanded. [ABSTRACT FROM AUTHOR]

A series of sodium methyl α-(substituted phenoxy acetoxy)-alkyl phosphinates were synthesized under mild condition by a simple efficient procedure. [ABSTRACT FROM AUTHOR]

A series of bicycli caged phosphates were synthesized, and biological activity test showed that the title compounds exhibited moderate herbicidal activity. [ABSTRACT FROM AUTHOR]

Fourteen of phosphonates containing quinoline were synthesized and the preliminary bioassay indicated that these compounds exhibited a little better fungicidal and lower herbicidal activities than the starting compound Quinclorac. [ABSTRACT FROM AUTHOR]

The carbodiimides 2, obtained from aza-Wittig reactions of iminophosphorane 1 with aromatic isocyanates, reacted with primary amine RNH2 (R ≠ H, Me) to produce isolable guanidine intermediates 3, which were further treated with sodium ethoxide in a mixed solvent to give selectivly one of the regioisomer 4 via a base catalytic cyclization mechanism. However, another regioisomers 5 were obtained directly as RNH2 (R = H, Me) were used in the absence of sodium ethoxide, via a direct cyclization mechanism. [ABSTRACT FROM AUTHOR]

In the title compound, C16H14N4O5, the benzene ring of the nicotinate residue is inclined at an angle of 64.06 (10)° to the benzene ring of the nitrophenoxy group. The molecules are linked by two intermolecular C—H...O and N—H...N hydrogen bonds into a complex three-dimensional framework structure. C—H...π interactions also contribute to the stability of the crystal packing. [ABSTRACT FROM AUTHOR]

In the title compound, C12H16N4O3, all bond lengths and angles are within normal ranges. An O—H...N and an N—H...O intramolecular hydrogen bond contribute to the approximately planar molecular conformation. In the crystal structure, intermolecular N—H...O and N—H...N hydrogen bonds link the molecules into ribbons parallel to the [1 0] direction. [ABSTRACT FROM AUTHOR]

In the title compound, C16H15N3OS, the crystal packing is stabilized by inter- and intramolecular N—H...O hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the structure of the title compound, C16H21N2O5PS, the P atom adopts a slightly distorted tetrahedral configuration. The crystal packing is stabilized by intramolecular C—H...N and C—H...O and intermolecular N—H...O hydrogen-bonding interactions. [ABSTRACT FROM AUTHOR]

The article presents information on the molecular structure of 5-Benzylamino-6-phenyl-2-propylsulfanyl-thiazolo[5,4-d]pyrimidin-7(6H)-one. The X-ray crystallographic analysis of this compound revealed hydrogen-bonded tetramers in its chemical structure that are formed via N-H⋯N hydrogen bonds. The compound includes two rings of the fused thiazolo[5,4-d]pyrimidine system that are almost coplanar. It is informed that Thiazolo[5,4 -d]pyrimidines are purine analogue derivatives, which have potentially useful biological properties.

The article presents the structure and composition of the molecule 3-Benzyl-2-butylamino-5,6,7,8-tetrahydro-benzothieno[2,3-d] pyrimidin-4(3H)-one. The formula of the compound is C21H25N3OS. The fused thiophene and pyrimidine rings in the molecule are coplanar. The hydrogen bonds are responsible for linking the molecules which results in the formation of one-dimensional chains. Natural products and antibiotics are getting help from pyrimidine derivatives. There is keen interest in preparing the derivatives of heterocycles through the aza-Witting reaction.

In the title compound, C12H12ClN5O3S, the pyrazole ring and the benzene ring are approximately coplanar. The mean plane of the pyrazole ring makes a dihedral angle of 12.82 (13)° with the mean plane of the benzene ring. The crystal packing is stabilized by intramolecular N—H...O and intermolecular N—H...O and N—H...N hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title compound, C13H9ClN4OS, the mean plane of the oxadiazole ring makes a dihedral angle of 6.34 (13)° with the mean plane of the pyridine ring. The dihedral angle between the chloropyridine ring and the oxadiazole ring is 74.43 (12)°, and the dihedral angle between the chloropyridine ring and the pyridine ring is 69.78 (11)°. The crystal packing is stabilized by inter- and intramolecular C—H...N hydrogen bonds. [ABSTRACT FROM AUTHOR]