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1.
Molecules ; 27(7)2022 Mar 26.
Article in English | MEDLINE | ID: mdl-35408551

ABSTRACT

Inspired by the recent cocrystallization and theory of energetic materials, we theoretically investigated the intermolecular vibrational energy transfer process and the non-covalent intermolecular interactions between explosive compounds. The intermolecular interactions between 2,4,6-trinitrotoluene (TNT) and 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) and between 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) and CL-20 were studied using calculated two-dimensional infrared (2D IR) spectra and the independent gradient model based on the Hirshfeld partition (IGMH) method, respectively. Based on the comparison of the theoretical infrared spectra and optimized geometries with experimental results, the theoretical models can effectively reproduce the experimental geometries. By analyzing cross-peaks in the 2D IR spectra of TNT/CL-20, the intermolecular vibrational energy transfer process between TNT and CL-20 was calculated, and the conclusion was made that the vibrational energy transfer process between CL-20 and TNTII (TNTIII) is relatively slower than between CL-20 and TNTI. As the vibration energy transfer is the bridge of the intermolecular interactions, the weak intermolecular interactions were visualized using the IGMH method, and the results demonstrate that the intermolecular non-covalent interactions of TNT/CL-20 include van der Waals (vdW) interactions and hydrogen bonds, while the intermolecular non-covalent interactions of HMX/CL-20 are mainly comprised of vdW interactions. Further, we determined that the intermolecular interaction can stabilize the trigger bond in TNT/CL-20 and HMX/CL-20 based on Mayer bond order density, and stronger intermolecular interactions generally indicate lower impact sensitivity of energetic materials. We believe that the results obtained in this work are important for a better understanding of the cocrystal mechanism and its application in the field of energetic materials.


Subject(s)
Explosive Agents , Trinitrotoluene , Energy Transfer , Explosive Agents/chemistry , Hydrogen Bonding , Trinitrotoluene/chemistry , Vibration
2.
Proc Natl Acad Sci U S A ; 115(16): 4218-4222, 2018 04 17.
Article in English | MEDLINE | ID: mdl-29610342

ABSTRACT

Reactive oxygen species formed within the mammalian cell can produce 8-oxo-7,8-dihydroguanine (8-oxoG) in mRNA, which can cause base mispairing during gene expression. Here we found that administration of 8-oxoGTP in MTH1-knockdown cells results in increased 8-oxoG content in mRNA. Under this condition, an amber mutation of the reporter luciferase is suppressed. Using second-generation sequencing techniques, we found that U-to-G changes at preassigned sites of the luciferase transcript increased when 8-oxoGTP was supplied. In addition, an increased level of 8-oxoG content in RNA induced the accumulation of aggregable amyloid ß peptides in cells expressing amyloid precursor protein. Our findings indicate that 8-oxoG accumulation in mRNA can alter protein synthesis in mammalian cells. Further work is required to assess the significance of these findings under normal physiological conditions.


Subject(s)
Guanine/analogs & derivatives , Mutagenesis/genetics , Protein Biosynthesis/genetics , Transcription, Genetic/genetics , Amyloid beta-Peptides/genetics , Anticodon/genetics , Base Pairing , Codon, Nonsense , DNA Repair Enzymes/antagonists & inhibitors , DNA Repair Enzymes/genetics , Gene Knockdown Techniques , Genes, Reporter , Guanine/chemistry , HeLa Cells , Humans , Luciferases/genetics , Phosphoric Monoester Hydrolases/antagonists & inhibitors , Phosphoric Monoester Hydrolases/genetics , RNA Interference , RNA, Messenger/biosynthesis , RNA, Messenger/genetics , RNA, Small Interfering/genetics , Reactive Oxygen Species
3.
Inorg Chem ; 59(23): 16924-16935, 2020 Dec 07.
Article in English | MEDLINE | ID: mdl-33170004

ABSTRACT

By utilizing the 2-hydroxyisophthalic acid (H3ipO) ligand, 2D metal-organic frameworks (MOFs) featuring rare Ophenol-bridged [Ln2]-magnetic building blocks (MBBs), [Ln2(ipO)2(DMF)(H2O)] [Ln = Gd (1), Dy (2); DMF = N,N-dimethylformamide], were rationally designed and synthesized. When the reaction solvents that behave as terminal ligands were changed, the coordination geometries of LnIII ions and the arrangement fashion of [Ln2]-MBBs for these MOFs were modified accordingly. Another type of 2D MOF of [Ln2(ipO)2(H2O)4]·2H2O [Ln = Gd (3), Dy (4)] was thus obtained. MOFs 1 and 3 exhibited favorable magnetocaloric effect, whose maximum -ΔSm values reach 30.0 and 31.7 J kg-1 K-1, respectively. None of the single-molecule-magnet (SMM) behavior was observed in 2. However, from 2 to 4, the change of the terminal coordinated solvents brought obvious improvement of the magnetic properties. MOF 4 showed interesting relaxation behavior, in which dual relaxation was only visible under weak direct-current fields, and its highest effective energy barrier (Ueff) reached up to 243 K. Ab initio calculations revealed the tuning mechanism of the terminal coordinated solvents. Their change optimized the arrangements of the magnetic axis of the DyIII centers in both each MBB and the whole framework, thus improving the magnetic anisotropy and magnetic interactions of the system. Significantly, within the [Dy2]-MBBs of 4, the angle made by the individual magnetic axis and Dy···Dy' line is nearly 0°. This case favoring a high SMM performance not only was scarcely achieved in discrete {Ln2}-SMMs with numerous members but also has never been observed in any MBB-based MOFs as far as we know.

4.
Yi Chuan ; 42(6): 599-612, 2020 Jun 20.
Article in Zh | MEDLINE | ID: mdl-32694118

ABSTRACT

Colorectal cancer (CRC) is a malignant cancer with high incidence and mortality in the world. Immunotherapy targeting neoantigens can induce durable tumor regression in cancer patients, but is almost limited to personalized precision therapy, due to the individual differences of unique neoantigens. With the discovery of many common oncogenic mutations, and such mutation-associated neoantigens could cover more patients, and hence are valuable in clinical field. However, whether the common neoantigens can be identified in CRC is unknown. Combining the somatic mutations data from 321 CRC patients with a filter standard and 7 predicted algorithms, we screened and obtained 25 HLA-A*1101-restricted common neoantigens with a high binding affinity (IC50<50 nmol/L) and presentation score (>0.90). Besides the positive epitope KRAS_G12V8-16, 11 out of 25 common neoantigens specifically induced in vitro pre- stimulated cytotoxic lymphocyte (CTL) to secrete interferon gamma (IFN-γ). Moreover, combining cell-sorting technology and single-cell RNA sequencing, the immune repertoire profiles of C1orf170_S418G413-421 and KRAS_G12V8-16-specific CTL were analyzed and validated. Their related T-cell receptor engineered T cell (TCR-T) cells could also recognize the neoantigens and secrete IFN-γ. Hence, we have established a method to screen for common neoantigens with immunogenicity in CRC based on the public somatic mutation library. It can provide essential peptide and TCR information for immunotherapies, such as peptides, dendritic cells (DC) vaccines, TCR-like antibodies, TCR-T, etc., for the CRC and other cancers, which has practical application value in the clinics.


Subject(s)
Antigens, Neoplasm , Colorectal Neoplasms , Antigens, Neoplasm/genetics , Colorectal Neoplasms/genetics , Colorectal Neoplasms/immunology , Colorectal Neoplasms/therapy , Early Detection of Cancer , Humans , Mutation , Receptors, Antigen, T-Cell/genetics
5.
Inorganica Chim Acta ; 489: 85-92, 2019 Apr 01.
Article in English | MEDLINE | ID: mdl-34079145

ABSTRACT

Four mononuclear lanthanide complexes containing 4'-phenyl-2,2':6',2″-terpyridine (ptpy), [Ln(NO3)3(ptpy) (H2O)] (Ln = Eu (1), Gd (2), Tb (3), Dy (4)), were solvothermally synthesized and characterized via elemental analysis, infrared spectroscopy, thermogravimetric analysis, single-crystal X-ray diffraction, and powder X-ray diffraction. Hirshfeld surfaces and the solid-state luminescence properties of the complexes were investigated. The 3-D Hirshfeld surface and 2-D fingerprint plots show that the main interactions are the O H/H O intermolecular interactions in 1-4. Solid-state luminescence investigation reveals that GdIII complex 2 displays a ligand-centered emission and the EuIII, TbIII and DyIII complexes 1, 3 and 4 show the characteristic lanthanide-centered luminescence upon UV excitations. The EuIII and TbIII complexes exhibit red (CIE: 0.6549, 0.3447) and green (CIE: 0.3760, 0.5412) luminescence in the solid state with quantum yields of 16.8% and 0.8% and lifetimes of 0.545 and 0.043 ms, respectively. Density functional theory (DFT) calculations were conducted to unravel the HOMO-LUMO energy gaps of the structures of ptpy and complexes 1 and 3.

6.
Yi Chuan ; 41(11): 1041-1049, 2019 Nov 20.
Article in Zh | MEDLINE | ID: mdl-31735706

ABSTRACT

Accurate epitope presentation prediction is a key procedure in tumour immunotherapies based on neoantigen for targeting T cell specific epitopes. Epitopes identified by mass spectrometry (MS) is valuable to train an epitope presentation prediction model. In spite of the accelerating accumulation of MS data, the number of epitopes that match most of human leukocyte antigens (HLAs) is relatively small, which makes it difficult to build a reliable prediction model. Therefore, this research attempted to use the transfer learning method to train a model to learn common features among the mixed allele specific epitopes. Then based on this pre-trained model, we used the allele-specific epitopes to train the final epitope presentation prediction model, termed Pluto. The average 0.1% positive predictive value (PPV) of Pluto outperformed the prediction model without pretraining with a margin of 0.078 on the same validation dataset. When evaluating Pluto on external HLA eluted ligand datasets, Pluto achieved an averaged 0.1% PPV of 0.4255, which is better than the prediction model without pretraining (0.3824) and other popular methods, including MixMHCpred (0.3369), NetMHCpan4.0-EL (0.4000), NetMHCpan4.0-BA (0.3188) and MHCflurry (0.3002). Moreover, when it comes to the evaluation of predicting immunogenicity, Pluto can identify more neoantigens than other tools. Pluto is publicly available at https://github.com/weipenegHU/Pluto.


Subject(s)
Algorithms , Antigen Presentation , Epitopes, T-Lymphocyte/chemistry , Animals , Humans , Ligands , Machine Learning
7.
Phys Chem Chem Phys ; 20(25): 17253-17261, 2018 Jun 27.
Article in English | MEDLINE | ID: mdl-29901061

ABSTRACT

Employing molecular dynamic (MD) simulations and solid-state density functional theory (DFT), we carried out thorough studies to understand the interaction-structure-property interrelationship of the co-crystal explosive 1 : 1 CL-20 : TNT. Our results revealed that the co-crystallization of CL-20 and TNT molecules enhances the intermolecular binding forces, where the main driving force for the formation of the co-crystal CL-20/TNT comes from HO and CO interactions, while OO contributes to the co-crystal stabilization. Furthermore, we also used the concept of atoms in molecule (AIM) and the reduced density gradient (RDG) to describe the spatial arrangements and interactions of co-crystal compositions, which showed that although the adjoining TNT molecules possess two symmetry groups and the adjoining CL-20 molecules possess the same symmetry group, their interactions are not identical. These spatial arrangements provide a good reference to the formation of other co-crystals. When the obtained structural and detonation properties of the three crystals were compared, it was observed that the CL-20/TNT co-crystal achieved the desirable properties of explosives, i.e., low-sensitivity and high-energy, possessing the advantages of both CL-20 and TNT explosives.

8.
Biotechnol Lett ; 37(9): 1877-86, 2015 Sep.
Article in English | MEDLINE | ID: mdl-25994580

ABSTRACT

OBJECTIVES: To acquire a thermostable xylanase, that is suitable for xylooligosaccharide production from pretreated corncobs, the metagenomic method was used to obtain the gene from an uncultured environmental microorganism. RESULTS: A thermostable xylanase-encoding gene (xyn10CD18) was cloned directly from the metagenomic DNA of cow dung compost. When xyn10CD18 was expressed in Bacillus megaterium MS941, extracellular xylansae activity at 106 IU/ml was achieved. The purified recombinant Xyn10CD18 was optimally active at pH 7 and 75 °C as measured over 10 min. It retained over 55% of its initial activity at 70 °C and pH 7 after 24 h. Its action on birchwood xylan for 18 h liberated xylooligosaccharides with 2°-4° of polymerization, with xylobiose and xylotetraose as the main products. When pretreated corncobs were hydrolyzed by Xyn10CD18 for 18 h, the xylooligosaccharides (DP 2-4) products increased to 80% and the xylose was just increased by 3%. CONCLUSION: Xyn10CD18 is a thermostable endoxylanase and is a promising candidate for biomass conversion and xylooligosaccharide production.


Subject(s)
Cloning, Molecular/methods , Endo-1,4-beta Xylanases/genetics , Glucuronates/biosynthesis , Metagenome , Oligosaccharides/biosynthesis , Animals , Cattle , Endo-1,4-beta Xylanases/chemistry , Endo-1,4-beta Xylanases/metabolism , Enzyme Stability , Soil Microbiology , Temperature , Zea mays/chemistry
9.
Guang Pu Xue Yu Guang Pu Fen Xi ; 35(4): 951-5, 2015 Apr.
Article in Japanese | MEDLINE | ID: mdl-26197581

ABSTRACT

In the present paper, the authors studied fluorescence resonance energy transfer (FRET) phenomenon between silver triangular nanoplates and bovine serum albumin (BSA)/Rhodamine 6G fluorescence complex, and established a fluorescence method for the detection of cobalt ions. We found that when increasing the silver triangular nanoplates added to certain concentrations of fluorescent bovine serum albumin (BSA)/Rhodamine 6G complex, the fluorescence of Rhodamine 6G would be quenched up to 80% due to the FRET between the quencher and donor. However, in the presence of cobalt ions, the disassociation of the fluorescent complex from silver triangular nanoplates occurred and the fluorescence of the Rhodamine 6G recovered. The recovery of fluorescence intensity rate (I/I0) has a good relationship with the cobalt ion concentration (cCO2+) added. Thus, the authors developed a fluorescence method for the detection of cobalt ions based on the FRET of silver triangular nanoplates and Rhodamine 6G.


Subject(s)
Cobalt/analysis , Fluorescence Resonance Energy Transfer , Nanoparticles/chemistry , Rhodamines/chemistry , Serum Albumin, Bovine/analysis , Silver/chemistry , Animals , Cattle , Fluorescence , Ions
10.
BMC Genomics ; 14: 579, 2013 Aug 28.
Article in English | MEDLINE | ID: mdl-23984715

ABSTRACT

BACKGROUND: Artificial selection played an important role in the origin of modern Glycine max cultivars from the wild soybean Glycine soja. To elucidate the consequences of artificial selection accompanying the domestication and modern improvement of soybean, 25 new and 30 published whole-genome re-sequencing accessions, which represent wild, domesticated landrace, and Chinese elite soybean populations were analyzed. RESULTS: A total of 5,102,244 single nucleotide polymorphisms (SNPs) and 707,969 insertion/deletions were identified. Among the SNPs detected, 25.5% were not described previously. We found that artificial selection during domestication led to more pronounced reduction in the genetic diversity of soybean than the switch from landraces to elite cultivars. Only a small proportion (2.99%) of the whole genomic regions appear to be affected by artificial selection for preferred agricultural traits. The selection regions were not distributed randomly or uniformly throughout the genome. Instead, clusters of selection hotspots in certain genomic regions were observed. Moreover, a set of candidate genes (4.38% of the total annotated genes) significantly affected by selection underlying soybean domestication and genetic improvement were identified. CONCLUSIONS: Given the uniqueness of the soybean germplasm sequenced, this study drew a clear picture of human-mediated evolution of the soybean genomes. The genomic resources and information provided by this study would also facilitate the discovery of genes/loci underlying agronomically important traits.


Subject(s)
Genome, Plant , Glycine max/genetics , Bayes Theorem , Breeding , Evolution, Molecular , Genetics, Population , Haplotypes , Humans , INDEL Mutation , Molecular Sequence Annotation , Phylogeny , Polymorphism, Single Nucleotide , Quantitative Trait Loci , Selection, Genetic , Sequence Analysis, DNA
11.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 6): i35, 2013 Jun 01.
Article in English | MEDLINE | ID: mdl-23794966

ABSTRACT

The title complex, [CoNa(CO5P)(H2O)5]n, was obtained by reacting sodium phosphono-formate with cobalt nitrate. The complex contains cobalt(II) and sodium ions, which are bridged by the O atoms of two aqua ligands. The Co(II) ion is octahedrally coordinated by three phosphonoformato ligands (one bi- and the other monodentate) and by two O atoms from the bridging aqua ligands. The sodium cation is hexa-coordinated by six O atoms from four bridging and two terminal aqua ligands. The complex mol-ecules are linked to give a three-dimensional structure by phosphono-formate ligands bridging Co(II) atoms and water mol-ecules establishing cobalt-sodium bridges. O-H⋯O hydrogen bonding between the aqua ligands and all O atoms of the phosphono-formato ligand and neighbouring aqua ligands help to consolidate the packing.

12.
BMC Genomics ; 13: 109, 2012 Mar 22.
Article in English | MEDLINE | ID: mdl-22439699

ABSTRACT

BACKGROUND: Drosophila albomicans is a unique model organism for studying both sex chromosome and B chromosome evolution. A pair of its autosomes comprising roughly 40% of the whole genome has fused to the ancient X and Y chromosomes only about 0.12 million years ago, thereby creating the youngest and most gene-rich neo-sex system reported to date. This species also possesses recently derived B chromosomes that show non-Mendelian inheritance and significantly influence fertility. METHODS: We sequenced male flies with B chromosomes at 124.5-fold genome coverage using next-generation sequencing. To characterize neo-Y specific changes and B chromosome sequences, we also sequenced inbred female flies derived from the same strain but without B's at 28.5-fold. RESULTS: We assembled a female genome and placed 53% of the sequence and 85% of the annotated proteins into specific chromosomes, by comparison with the 12 Drosophila genomes. Despite its very recent origin, the non-recombining neo-Y chromosome shows various signs of degeneration, including a significant enrichment of non-functional genes compared to the neo-X, and an excess of tandem duplications relative to other chromosomes. We also characterized a B-chromosome linked scaffold that contains an actively transcribed unit and shows sequence similarity to the subcentromeric regions of both the ancient X and the neo-X chromosome. CONCLUSIONS: Our results provide novel insights into the very early stages of sex chromosome evolution and B chromosome origination, and suggest an unprecedented connection between the births of these two systems in D. albomicans.


Subject(s)
Chromosomes, Insect/genetics , Drosophila/genetics , Evolution, Molecular , Genome, Insect/genetics , Recombination, Genetic/genetics , X Chromosome/genetics , Y Chromosome/genetics , Animals , Chromosome Duplication/genetics , Female , Male , Molecular Sequence Annotation , Phylogeny
13.
Cell Immunol ; 271(2): 455-61, 2011.
Article in English | MEDLINE | ID: mdl-21889126

ABSTRACT

Statins have anti-inflammatory and immune-regulating properties. To investigate the effects of atorvastatin on experimental autoimmune neuritis (EAN), an animal model of Guillain-Barré syndrome (GBS), atorvastatin was administered to Lewis rats immunized with bovine peripheral myelin in complete Freund's adjuvant. We found that atorvastatin ameliorated the clinical symptoms of EAN, decreased the numbers of inflammatory cells as well as IFN-γ(+) and IL-17(+) cells in sciatic nerves, decreased the CD80 expression and increased the number of CD25(+)Foxp3(+) cells in mononuclear cells (MNC), and decreased the levels of IFN-γ in MNC culture supernatants. These data provide strong evidence that atorvastatin can act as an inhibitor in EAN by inhibiting the immune response of Th1 and Th17, decreasing the expression of co-stimulatory molecule, and up-regulating the number of T regulatory cells. These data demonstrated that statins could be used as a therapeutic strategy in human GBS in future.


Subject(s)
Cytokines/metabolism , Heptanoic Acids/pharmacology , Hydroxymethylglutaryl-CoA Reductase Inhibitors/pharmacology , Neuritis, Autoimmune, Experimental/drug therapy , Neuritis, Autoimmune, Experimental/immunology , Pyrroles/pharmacology , T-Lymphocyte Subsets/drug effects , Animals , Atorvastatin , Cattle , Female , Guillain-Barre Syndrome/drug therapy , Guillain-Barre Syndrome/immunology , Humans , Immunization , Interferon-gamma/metabolism , Interleukin-17/metabolism , Myelin Sheath/immunology , Neuritis, Autoimmune, Experimental/pathology , Rats , Rats, Inbred Lew , Sciatic Nerve/drug effects , Sciatic Nerve/pathology , T-Lymphocyte Subsets/immunology , T-Lymphocytes, Regulatory/drug effects , T-Lymphocytes, Regulatory/immunology , Th1 Cells/drug effects , Th1 Cells/immunology , Th17 Cells/drug effects , Th17 Cells/immunology
14.
Plant Physiol ; 153(3): 1031-45, 2010 Jul.
Article in English | MEDLINE | ID: mdl-20466844

ABSTRACT

After flower pollination, a programmed process called abscission occurs in which unwanted floral organs are actively shed from the main plant body. We found that a member of the DOF (for DNA binding with one finger) transcription factor family, Arabidopsis (Arabidopsis thaliana) DOF4.7, was expressed robustly in the abscission zone. The Arabidopsis 35S::AtDOF4.7 lines with constitutive expression of AtDOF4.7 exhibited an ethylene-independent floral organ abscission deficiency. In these lines, anatomical analyses showed that the formation of the abscission zone was normal. However, dissolution of the middle lamella failed to separate between the cell walls. AtDOF4.7 was identified as a nucleus-localized transcription factor. This protein had both in vitro and in vivo binding activity to typical DOF cis-elements in the promoter of an abscission-related polygalacturonase (PG) gene, PGAZAT. Overexpression of AtDOF4.7 resulted in down-regulation of PGAZAT. AtDOF4.7 interacted with another abscission-related transcription factor, Arabidopsis ZINC FINGER PROTEIN2. Taken together, our results suggest that AtDOF4.7 participates in the control of abscission as part of the transcription complex that directly regulates the expression of cell wall hydrolysis enzymes.


Subject(s)
Arabidopsis Proteins/metabolism , Arabidopsis/growth & development , Flowers/growth & development , Transcription Factors/metabolism , Arabidopsis/cytology , Arabidopsis/genetics , Arabidopsis/ultrastructure , Arabidopsis Proteins/genetics , Cell Nucleus/drug effects , Cell Nucleus/metabolism , Ethylenes/pharmacology , Flowers/cytology , Flowers/genetics , Flowers/ultrastructure , Gene Expression Regulation, Plant/drug effects , Organ Specificity/drug effects , Organ Specificity/genetics , Phenotype , Plants, Genetically Modified , Protein Binding/drug effects , Protein Transport/drug effects , Subcellular Fractions/drug effects , Subcellular Fractions/metabolism , Transcription Factors/genetics , Yeasts/drug effects , Yeasts/metabolism
15.
Plant Cell Rep ; 30(1): 27-36, 2011 Jan.
Article in English | MEDLINE | ID: mdl-20976459

ABSTRACT

Guard cell walls of stomata are highly specialized in plants. Previous research focused on the structure and anatomy of guard cell walls, but little is known about guard cell regulation during stomata movement. In this work, we investigate the possible biological role of the Arabidopsis expansin gene AtEXPA1 in stomatal opening. The AtEXPA1 promoter drove the expression of the GUS reporter gene specifically in guard cells. Light-induced stomatal opening was accelerated in 35S::AtEXPA1 lines, whereas the anti-AtEXPA1 antibody decelerated light-induced stomatal opening. The inhibition of the anti-AtEXPA1 antibody on stomatal opening was largely dependent on the environmental pH. The volumetric elastic modulus (ε) was measured as an indicator of changes in the cell wall. The ε value of guard cells in 35S::AtEXPA1 lines was smaller than in the wild types. The putative role of AtEXPA1 as controller of stomatal opening rate and its regulation are discussed.


Subject(s)
Arabidopsis/genetics , Arabidopsis/physiology , Elastic Modulus/physiology , Genes, Plant/genetics , Plant Proteins/genetics , Plant Stomata/physiology , Antibodies/pharmacology , Arabidopsis/cytology , Arabidopsis/radiation effects , Down-Regulation/drug effects , Down-Regulation/radiation effects , Elastic Modulus/drug effects , Elastic Modulus/radiation effects , Gene Expression Regulation, Plant/drug effects , Gene Expression Regulation, Plant/radiation effects , Hydrogen-Ion Concentration/drug effects , Hydrogen-Ion Concentration/radiation effects , Light , Plant Proteins/antagonists & inhibitors , Plant Proteins/metabolism , Plant Stomata/cytology , Plant Stomata/drug effects , Plant Stomata/radiation effects , Plants, Genetically Modified
16.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 9): o2540, 2011 Sep 01.
Article in English | MEDLINE | ID: mdl-22065022

ABSTRACT

The title compound, C(15)H(9)BrN(2)S, was prepared by the reaction of 1-bromo-2-(2,2-dibromo-vin-yl)benzene with 1H-benzo[d]imidazole-2(3H)-thione. The thia-zolo[3,2-a]benz-imidazole fused-ring system is nearly planar, the maximum atomic deviation being 0.049 (4) Å. This mean plane is oriented at a dihedral angle of 71.55 (17)° with respect ot the bromo-phenyl ring. π-π stacking is observed in the crystal structure, the centroid-centroid distance between the thia-zole and imidazole rings of adjacent mol-ecules being 3.582 (2) Å.

17.
Zhonghua Fu Chan Ke Za Zhi ; 46(12): 917-22, 2011 Dec.
Article in Zh | MEDLINE | ID: mdl-22333282

ABSTRACT

OBJECTIVE: To study clinical efficacy on cesarean scar pregnancy (CSP) treated by transvaginal surgery. METHODS: From Jan. 2008 to Mar. 2011, 31 cases with CSP were managed by transvaginal surgery in Anshan Women and Children Hospital. Based on ultrasonograpy examination and intraoperative exposure of lesion, variable surgical options were executed. Fifteen cases in group A were treated by debridement resection and vaginal repair of uterine wall, 7 cases in group B were treated by transvaginal uterine artery ligation and curettage, 9 cases were treated by cutting the anterior wall in the lower uterine segment and repairing uterine. The intraoperative blood loss, operation time, hospital stay, hCG fluctuation at postoperative period and complications were analyzed among those groups. RESULTS: All cases in 3 groups were cured well in one time. (1) The intraoperative blood loss were (41 ± 21) ml in group A, (27 ± 7) ml in group B and (148 ± 132) ml in group C. There was no statistically different blood loss between group A and group B (P > 0.05), however, the amount blood loss in group C was significantly more than those in group A and group B (P < 0.05). (2) The average surgical time, the mean hospital stay, postoperative recovery time of blood hCG were (40 ± 11) minutes, (4.7 ± 0.8) days and (2.7 ± 1.0) weeks in group A, (44 ± 5) minutes, (4.0 ± 0.8) days and (2.9 ± 1.0) weeks in group B, (40 ± 12) minutes, (4.9 ± 1.0) days and (2.8 ± 0.9) weeks in group C. Those clinical index were no statistically different among those 3 groups (P > 0.05). (3) No bladder injury and other complications were observed in those groups. CONCLUSIONS: Transvaginal surgery is efficacy, easy to operate, to keep the uterus, safe and economy in treatment of CSP. Surgery in group A is suitable to treat early and exogenous lesions; surgery in group B is suitable to treat endogenous lesions; surgery in group C is suitable to treat failure cases in group A and B, however, the injury is greater than those in group A and B.


Subject(s)
Cesarean Section/adverse effects , Cicatrix/complications , Uterine Artery Embolization , Blood Loss, Surgical , Chorionic Gonadotropin, beta Subunit, Human/blood , Cicatrix/diagnostic imaging , Cicatrix/surgery , Curettage , Female , Humans , Length of Stay , Operative Time , Postoperative Complications , Pregnancy , Pregnancy, Ectopic , Retrospective Studies , Treatment Outcome , Ultrasonography , Uterine Artery/surgery , Uterus/blood supply , Uterus/diagnostic imaging , Uterus/surgery , Wound Healing
18.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 11): m1360, 2010 Oct 02.
Article in English | MEDLINE | ID: mdl-21588803

ABSTRACT

In the title complex, [Cu(C(13)H(11)N(3)O(2))(2)(C(12)H(8)N(2))](NO(3))(2), the Cu(II )atom (site symmetry 2) is coordinated by four N atoms from one 1,10-phenanthroline and two hydrazine ligands, respectively. The hydrazine ligands coordinate to the Cu(II)atom by a pyridine N atom. These four atoms form a slightly distorted square-planar N(4) donor set. In the packing, two additional Cu⋯O inter-actions occur [Cu⋯O = 2.462 (2) Å], resulting in a typical Jahn-Teller-distorted octahedral environment around the Cu atom. N-H⋯O hydrogen bonds result in a three-dimensional network. The O atoms of the anion are disordered over two positions in a 0.68 (2):0.32 (2) ratio.

19.
J Int Med Res ; 48(4): 300060519894790, 2020 Apr.
Article in English | MEDLINE | ID: mdl-31884845

ABSTRACT

OBJECTIVE: To examine the clinical effect of computed tomography angiography (CTA) on parameters of intracranial aneurysms in different locations and with different sizes using digital subtraction angiography (DSA) as the standard. METHODS: Patients with intracranial aneurysms who underwent CTA examinations at the same center and received DSA examinations within 3 days were analyzed retrospectively. The morphological parameters of the aneurysms and parent arteries were measured with these two methods. RESULTS: Mean aneurysm size and parent artery diameter were not different between CTA and DSA. The size of microaneurysms was significantly smaller with DSA than with CTA. The aneurysmal neck width was not different between CTA and DSA. DSA could clearly evaluate the relationship between the aneurysmal neck and the parent artery in all cases. However, CTA had a 90% accuracy rate of visualizing this relationship. CONCLUSION: The accuracy rates of evaluating aneurysm size and the aneurysmal neck width and parent artery diameter are similar between CTA and DSA. A DSA examination is essential for evaluating the relationship among microaneurysms, the aneurysmal neck, and the parent artery. CTA is widely applied and more safe in clinical practice, while DSA has a better guiding effect than CTA for some complicated aneurysms.


Subject(s)
Intracranial Aneurysm , Angiography, Digital Subtraction , Cerebral Angiography , Computed Tomography Angiography , Humans , Intracranial Aneurysm/diagnostic imaging , Retrospective Studies , Sensitivity and Specificity
20.
Dalton Trans ; 49(44): 15739-15749, 2020 Nov 28.
Article in English | MEDLINE | ID: mdl-33146181

ABSTRACT

The novel multidentate chelating ligands N'-(2-pyridylmethylidene)-2-(2-pyridylmethylideneamino)benzohydrazide (Hpphz) and N'-(2-salicylmethylidene)-2-(2-salicylmethylideneamino)benzohydrazide (H3sshz), which incorporate both amine and acylhydrazine Schiff base groups, were synthesized and investigated in DyIII coordination chemistry. The reactions of Hpphz and Dy(OAc)3·4H2O have yielded two {Dy2} featuring double OAc- bridges: [Dy2(H2aphz)2(OAc)4(ROH)2] [R = Me (1) and Et (2)], where the Hpphz ligands were in situ hydrolyzed into 2-amino-(2-pyridylmethylideneamino)benzohydrazide ions (H2aphz-). Besides, the reaction between H3sshz and Dy(NO)3·6H2O afforded a [Dy6(sshz)4(µ3-OH)4(µ4-O)(MeOH)4]2·17.5MeOH·2H2O cluster (3). This cluster contained two discrete {Dy6} cores, each of which consisted of a pair of {Dy3} triangular units. All the complexes displayed a single relaxation process of single-molecule magnet (SMM) behaviors under a zero dc field. Both 1 and 2 showed field-induced dual magnetic-relaxation behaviors. However, their diluted samples (1@Y and 2@Y) only showed one-step relaxation behaviors whether under a zero or applied dc field, indicating that the dual magnetic-relaxation behaviors of 1 and 2 were absent after the dilution. Combined with ab initio calculations, it could be infered that the dual magnetic-relaxation behaviors of 1 and 2 might be ascribled to the joint contributions of the single ion anisotropy and magnetic interactions. Examples of this type are rather rare in previous studies. Ab initio calculations also suggested that the discrepancy between the relaxation processes of 1 and 2 may be caused by the small difference between their magnetic interactions.

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