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1.
World J Gastroenterol ; 28(15): 1536-1547, 2022 Apr 21.
Article in English | MEDLINE | ID: mdl-35582134

ABSTRACT

BACKGROUND: Crohn's disease (CD) is a chronic nonspecific intestinal inflammatory disease. The aetiology and pathogenesis of CD are still unclear. Anal fistula is the main complication of CD and is a difficult problem to solve at present. The main limitation of developing new therapies is bound up with the short of preclinical security and effectiveness data. Therefore, an ideal animal model is needed to establish persistent anal fistula and an inflamed rectal mucosa. AIM: To improve the induction method of colitis and establish a reliable and reproducible perianal fistulizing Crohn's disease animal model to evaluate new treatment strategies. METHODS: Twenty male New Zealand rabbits underwent rectal enema with different doses of 2,4,6-trinitrobenzene sulfonic acid to induce proctitis. Group A was treated with an improved equal interval small dose increasing method. The dosage of group B was constant. Seven days later, the rabbits underwent surgical creation of a transsphincteric fistula. Then, three rabbits were randomly selected from each group every 7 d to remove the seton from the fistula. The rabbits were examined by endoscopy every 7 days, and biopsy forceps were used to obtain tissue samples from the obvious colon lesions for histological analysis. The disease activity index (DAI), colonoscopy and histological scores were recorded. Perianal endoscopic ultrasonography (EUS) was used to evaluate the healing of fistulas. RESULTS: Except for the DAI score, the colonoscopy and histological scores in group A were significantly higher than those in group B (P < 0.05). In the ideal model rabbit group, on the 7th day after the removal of the seton, all animals had persistent lumens on EUS imaging, showing continuous full-thickness high signals. Histological inspection of the fistula showed acute and chronic inflammation, fibrosis, epithelialization and peripheral proctitis of the adjoining rectum. CONCLUSION: The improved method of CD colitis induction successfully established a rabbit perianal fistula CD preclinical model, which was confirmed by endoscopy and pathology.


Subject(s)
Colitis , Crohn Disease , Proctitis , Rectal Fistula , Animals , Colitis/complications , Crohn Disease/drug therapy , Humans , Male , Proctitis/complications , Rabbits , Rectal Fistula/diagnostic imaging , Rectal Fistula/etiology , Rectal Fistula/surgery , Treatment Outcome
2.
Mol Ther Nucleic Acids ; 27: 670-684, 2022 Mar 08.
Article in English | MEDLINE | ID: mdl-35070495

ABSTRACT

The disruption of epigenetic regulation is common in tumors; the abnormal expression of epigenetic factors leads to cancer occurrence and development. In this study, to investigate the potential function of histone methylation regulators in lung adenocarcinoma (LUAD), we performed differential expression analysis using RNA-seq data downloaded from The Cancer Genome Atlas (TCGA) database, and identified CBX2 and EZH2 as obviously upregulated histone methylation regulators. CBX2 knockdown significantly inhibited LUAD cell growth and metastasis in vitro and in vivo. The combined high expression of CBX2 and EZH2 was an indicator of poor prognosis in LUAD. The inhibition of both CBX2 and EZH2 exerted cooperative suppressive effects on the growth and metastasis of LUAD cells. Mechanistically, we revealed that CBX2 and EZH2 downregulated several PPAR signaling pathway genes and tumor suppressor genes through binding to their promoter cooperatively or separately. Furthermore, knockdown of CBX2 improved the therapeutic efficiency of EZH2 inhibitor on A549 cells. Our study reveals the cooperative oncogenic role of CBX2 and EZH2 in promoting LUAD progression, thereby providing potential targets for LUAD diagnosis and therapy.

3.
IUBMB Life ; 71(1): 93-104, 2019 01.
Article in English | MEDLINE | ID: mdl-30290058

ABSTRACT

Gliomas are the most commonly occurring primary malignant brain tumors in the central nervous system of adults. They are rarely curable and the prognosis for high grade gliomas is generally poor. Recently, long non-coding RNA (lncRNA) human ovarian cancer-specific transcript 2 (HOST2) has been reported to be expressed at high levels in human ovarian cancer, involving tumorigenesis. However, little is still known about whether and how HOST2 regulates glioma development and progression. Therefore, this study aims to investigate the role of HOST2 in human glioma cells. Reverse transcription quantitative real-time polymerase chain reaction (RT-qPCR) was used to determine the expression of lncRNA HOST2, let-7b, and PBX3 in human glioma cells. Cultured human glioma cells were treated with siRNA (si)-lncRNA HOST2, let-7b mimic, si-lncRNA HOST2 + let-7b inhibitor, and si-PBX3. Parameters including cell viability, colony formation, cell migration, and cell invasion were detected by cell counting kit-8 assay, colony formation assay, scratch test, and Transwell assay respectively to determine the effects of down-regulated HOST2 on glioma cells. Tumor formation in nude mice was evaluated by subcutaneous tumor formation experiment. Results showed that HOST2 and PBX3 were highly expressed in glioma tissue whereas let-7b was expressed at much lower levels. In response to treatment with si-lncRNA HOST2, si-PBX3, and let-7b mimic, glioma cell lines exhibited decreased cell viability, suppressed cell migration, invasion, and reduced colony formation of glioma cells. This was accompanied by an attenuated tumor formation with smaller volume and weight in nude mice, suggesting that down-regulated HOST2 could inhibit the tumorigenicity of glioma cells. Lastly, we found that lncRNA HOST2 was highly expressed in glioma tissues and its down-regulation could inhibit the growth and invasion of glioma cells. © 2018 IUBMB Life, 71(1):93-104, 2019.


Subject(s)
Glioma/genetics , Homeodomain Proteins/genetics , MicroRNAs/genetics , Proto-Oncogene Proteins/genetics , RNA, Long Noncoding/genetics , Adolescent , Adult , Animals , Apoptosis/genetics , Cell Line, Tumor , Cell Movement/genetics , Cell Proliferation/genetics , Child , Female , Gene Expression Regulation, Neoplastic , Glioma/pathology , Heterografts , Humans , Male , Mice , Middle Aged , Neoplasm Invasiveness/genetics , Neoplasm Invasiveness/pathology , RNA, Small Interfering/genetics , Young Adult
4.
Chem Commun (Camb) ; 52(95): 13775-13778, 2016 Dec 11.
Article in English | MEDLINE | ID: mdl-27824167

ABSTRACT

A new drug delivery system, based on mesoporous silica nanoparticles gated by carboxylatopillar[5]arene-modified gold nanoparticles, has been fabricated, which demonstrated good responses to competitive binding and temperature variation. This multifunctional nanosystem combines the excellent characteristics of two kinds of nanoparticles and utilizes a supramolecular host-guest approach for on-demand cargo release.

5.
Chin Med J (Engl) ; 129(5): 562-9, 2016 Mar 05.
Article in English | MEDLINE | ID: mdl-26904991

ABSTRACT

BACKGROUND: Renin-angiotensin system inhibitor and calcium channel blocker (CCB) are widely used in controlling blood pressure (BP) in patients with chronic kidney disease (CKD). We carried out a meta-analysis to compare the renoprotective effect of the combination of angiotensin-converting enzyme inhibitor (ACEI) or angiotensin receptor blocker (ARB) and CCB (i.e., ACEI/ARB + CCB) with ACEI/ARB monotherapy in patients with hypertension and CKD. METHODS: Publications were identified from PubMed, Embase, Medline, and Cochrane databases. Only randomized controlled trials (RCTs) of BP lowering treatment for patients with hypertension and CKD were considered. The outcomes of end-stage renal disease (ESRD), cardiovascular events, BP, urinary protein measures, estimated glomerular filtration rate (GFR), and adverse events were extracted. RESULTS: Based on seven RCTs with 628 patients, ACEI/ARB + CCB did not show additional benefit for the incidence of ESRD (risk ratio [RR] = 0.84; 95% confidence interval [CI]: 0.52-1.33) and cardiovascular events (RR = 0.58; 95% CI: 0.21-1.63) significantly, compared with ACEI/ARB monotherapy. There were no significant differences in change from baseline to the end points in diastolic BP (weighted mean difference [WMD] = -1.28 mmHg; 95% CI: -3.18 to -0.62), proteinuria (standard mean difference = -0.55; 95% CI: -1.41 to -0.30), GFR (WMD = -0.32 ml/min; 95% CI: -1.53 to -0.89), and occurrence of adverse events (RR = 1.05; 95% CI: 0.72-1.53). However, ACEI/ARB + CCB showed a greater reduction in systolic BP (WMD = -4.46 mmHg; 95% CI: -6.95 to -1.97), compared with ACEI/ARB monotherapy. CONCLUSION: ACEI/ARB + CCB had no additional renoprotective benefit beyond than what could be achieved with ACEI/ARB monotherapy.


Subject(s)
Angiotensin Receptor Antagonists/pharmacology , Angiotensin-Converting Enzyme Inhibitors/pharmacology , Calcium Channel Blockers/pharmacology , Hypertension/drug therapy , Kidney/drug effects , Renal Insufficiency, Chronic/drug therapy , Angiotensin Receptor Antagonists/therapeutic use , Angiotensin-Converting Enzyme Inhibitors/therapeutic use , Calcium Channel Blockers/therapeutic use , Drug Therapy, Combination , Glomerular Filtration Rate , Humans
6.
ScientificWorldJournal ; 2014: 937867, 2014.
Article in English | MEDLINE | ID: mdl-25225639

ABSTRACT

This study experimentally analyzed the carbon dioxide adsorption capacity of Moso-bamboo- (Phyllostachys edulis-) based porous charcoal. The porous charcoal was prepared at various carbonization temperatures and ground into powders with 60, 100, and 170 meshes, respectively. In order to understand the adsorption characteristics of porous charcoal, its fundamental properties, namely, charcoal yield, ash content, pH value, Brunauer-Emmett-Teller (BET) surface area, iodine number, pore volume, and powder size, were analyzed. The results show that when the carbonization temperature was increased, the charcoal yield decreased and the pH value increased. Moreover, the bamboo carbonized at a temperature of 1000(°)C for 2 h had the highest iodine sorption value and BET surface area. In the experiments, charcoal powders prepared at various carbonization temperatures were used to adsorb 1.854% CO2 for 120 h. The results show that the bamboo charcoal carbonized at 1000(°)C and ground with a 170 mesh had the best adsorpt on capacity, significantly decreasing the CO2 concentration to 0.836%. At room temperature and atmospheric pressure, the Moso-bamboo-based porous charcoal exhibited much better CO2 adsorption capacity compared to that of commercially available 350-mesh activated carbon.


Subject(s)
Carbon Dioxide/chemistry , Charcoal/chemistry , Adsorption , Porosity
7.
J Chem Theory Comput ; 10(8): 3459-3472, 2014 Aug 12.
Article in English | MEDLINE | ID: mdl-25136271

ABSTRACT

An extension of the recently developed PRIMO coarse-grained force field to membrane environments, PRIMO-M, is described. The membrane environment is modeled with the heterogeneous dielectric generalized Born (HDGB) methodology that simply replaces the standard generalized Born model in PRIMO without further parametrization. The resulting model was validated by comparing amino acid insertion free energy profiles and application in molecular dynamics simulations of membrane proteins and membrane-interacting peptides. Membrane proteins with 148-661 amino acids show stable root-mean-squared-deviations (RMSD) between 2 and 4 Å for most systems. Transmembrane helical peptides maintain helical shape and exhibit tilt angles in good agreement with experimental or other simulation data. The association of two glycophorin A (GpA) helices was simulated using replica exchange molecular dynamics simulations yielding the correct dimer structure with a crossing angle in agreement with previous studies. Finally, conformational sampling of the influenza fusion peptide also generates structures in agreement with previous studies. Overall, these findings suggest that PRIMO-M can be used to study membrane bound peptides and proteins and validates the transferable nature of the PRIMO coarse-grained force field.

8.
Bioprocess Biosyst Eng ; 37(8): 1543-9, 2014 Aug.
Article in English | MEDLINE | ID: mdl-24445337

ABSTRACT

The extraction of lipids from microalgal cells using ultrasonic and microwave pretreatments is mechanistically evaluated based on the distribution of cell fragments, the lipid content analysis, the scanning electron microscopic (SEM) observation of ruptured microalgal cells, and the analysis of fatty acids. The results indicate that microwave pretreatment extracts lipids more rapidly and efficiently as compared to ultrasonic pretreatment. The rupture of cells in the microwave process is due to the tremendous pressure caused by the rapid heating of the moisture inside the microalgal cells, whereas in the ultrasonic process the microalgal cells are ruptured by shock waves from cavitation bubbles outside the cells. The fatty acid composition of the respective lipids extracted via the two types of pretreatment did not vary significantly from one another. These results demonstrate that the microwave process is rapid and more effective than the ultrasonic process for lipid extraction from microalgae.


Subject(s)
Fatty Acids/chemistry , Fatty Acids/isolation & purification , Microalgae/chemistry , Sound
9.
J Chem Theory Comput ; 9(8): 3769-3788, 2013 Aug 13.
Article in English | MEDLINE | ID: mdl-23997693

ABSTRACT

We describe here the PRIMO (PRotein Intermediate Model) force field, a physics-based fully transferable additive coarse-grained potential energy function that is compatible with an all-atom force field for multi-scale simulations. The energy function consists of standard molecular dynamics energy terms plus a hydrogen-bonding potential term and is mainly parameterized based on the CHARMM22/CMAP force field in a bottom-up fashion. The solvent is treated implicitly via the generalized Born model. The bonded interactions are either harmonic or distance-based spline interpolated potentials. These potentials are defined on the basis of all-atom molecular dynamics (MD) simulations of dipeptides with the CHARMM22/CMAP force field. The non-bonded parameters are tuned by matching conformational free energies of diverse set of conformations with that of CHARMM all-atom results. PRIMO is designed to provide a correct description of conformational distribution of the backbone (ϕ/ψ) and side chains (χ1) for all amino acids with a CMAP correction term. The CMAP potential in PRIMO is optimized based on the new CHARMM C36 CMAP. The resulting optimized force field has been applied in MD simulations of several proteins of 36-155 amino acids and shown that the root-mean-squared-deviation of the average structure from the corresponding crystallographic structure varies between 1.80 and 4.03 Å. PRIMO is shown to fold several small peptides to their native-like structures from extended conformations. These results suggest the applicability of the PRIMO force field in the study of protein structures in aqueous solution, structure predictions as well as ab initio folding of small peptides.

10.
J Am Chem Soc ; 134(17): 7488-96, 2012 May 02.
Article in English | MEDLINE | ID: mdl-22506606

ABSTRACT

Dicarboxyterpyridine chelates with π-conjugated pendant groups attached at the 5- or 6-position of the terminal pyridyl unit were synthesized. Together with 2,6-bis(5-pyrazolyl)pyridine, these were used successfully to prepare a series of novel heteroleptic, bis-tridentate Ru(II) sensitizers, denoted as TF-11-14. These dyes show excellent performance in dye-sensitized solar cells (DSCs) under AM1.5G simulated sunlight at a light intensity of 100 mW cm(-2) in comparison with a reference device containing [Ru(Htctpy)(NCS)(3)][TBA](3) (N749), where H(3)tctpy and TBA are 4,4',4"-tricarboxy-2,2':6',2"-terpyridine and tetra-n-butylammonium cation, respectively. In particular, the sensitizer TF-12 gave a short-circuit photocurrent of 19.0 mA cm(-2), an open-circuit voltage (V(OC)) of 0.71 V, and a fill factor of 0.68, affording an overall conversion efficiency of 9.21%. The increased conjugation conferred to the TF dyes by the addition of the π-conjugated pendant groups increases both their light-harvesting and photovoltaic energy conversion capability in comparison with N749. Detailed recombination processes in these devices were probed by various spectroscopic and dynamics measurements, and a clear correlation between the device V(OC) and the cell electron lifetime was established. In agreement with several other recent studies, the results demonstrate that high efficiencies can also be achieved with Ru(II) sensitizers that do not contain thiocyanate ancillaries. This bis-tridentate, dual-carboxy anchor configuration thus serves as a prototype for future omnibearing design of highly efficient Ru(II) sensitizers suited for use in DSCs.

11.
J Phys Chem A ; 116(18): 4438-44, 2012 May 10.
Article in English | MEDLINE | ID: mdl-22489619

ABSTRACT

A series of 2-pyridyl pyrazoles 1a and 1-5 with various functional groups attached to either pyrazole or pyridyl moieties have been strategically designed and synthesized in an aim to probe the hydrogen bonding strength in the ground state versus dynamics of excited-state intramolecular proton transfer (ESIPT) reaction. The title compounds all possess a five-membered-ring (pyrazole)N-H···N(pyridine) intramolecular hydrogen bond, in which both the N-H bond and the electron density distribution of the pyridyl nitrogen lone-pair electrons are rather directional, so that the hydrogen bonding strength is relatively weak, which is sensitive to the perturbation of subtle chemical substitution and consequently reflected from the associated ESIPT dynamics. Various approaches such as (1)H NMR (N-H proton) to probe the hydrogen bonding strength and absorption titration to assess the acidity-basicity property were made for all the title analogues. The results, together with supplementary support provided by a computational approach, affirm that the increase of acidity (basicity) on the hydrogen bonding donor (acceptor) sites leads to an increase of hydrogen-bonding strength among the title 2-pyridyl pyrazoles. Luminescence results and the associated ESIPT dynamics further reveal an empirical correlation in that the increase of the hydrogen bonding strength leads to an increase of the rate of ESIPT for the title 2-pyridyl pyrazoles, demonstrating an interesting relationship among N-H acidity, hydrogen bonding strength, and the associated ESIPT rate.

12.
Article in English | MEDLINE | ID: mdl-22025759

ABSTRACT

Molecular dynamics trajectories are very data-intensive thereby limiting sharing and archival of such data. One possible solution is compression of trajectory data. Here, trajectory compression based on conversion to the coarse-grained model PRIMO is proposed. The compressed data is about one third of the original data and fast decompression is possible with an analytical reconstruction procedure from PRIMO to all-atom representations. This protocol largely preserves structural features and to a more limited extent also energetic features of the original trajectory.


Subject(s)
Molecular Dynamics Simulation , Proteins/chemistry , Amino Acids/chemistry , Computational Biology , Proteins/metabolism
14.
Asian J Androl ; 13(3): 446-52, 2011 May.
Article in English | MEDLINE | ID: mdl-21540869

ABSTRACT

LM23 is a gene specifically expressed in the testis of Rattus norvegicus, as previously reported by our laboratory. The aim of the study is to further investigate the biological function of LM23. Several bioinformatic tools were utilized, including PROSITE and BLAST. To determine the subcellullar localization of LM23, a polyclonal antibody specific for LM23 was generated via the immunization of rabbits. The LM23 gene was cloned from rat testis tissue, and LM23 protein was expressed in Escherichia coli. The biological function of LM23 was analyzed with microarray analysis and immunohistochemistry, using a rat model of LM23 gene knockdown. The results suggested that LM23 belongs to the Speedy/Ringo family. LM23 regulated the G1/S and G2/M transitions of the cell cycle during spermatogenesis. Downregulation of the LM23 gene during spermatogenesis could lead to the activation of both the Fas-FasL pathway and the mitochondrial pathway. These novel findings indicate that LM23 has a diverse array of functions that are important in both the life and death of the spermatogenic cell.


Subject(s)
Cell Cycle Proteins/physiology , Proteins/physiology , Spermatocytes/drug effects , Spermatogenesis/genetics , Testis/metabolism , Amino Acid Sequence , Animals , Cell Cycle Proteins/immunology , Down-Regulation , Female , Male , Molecular Sequence Data , Protein Array Analysis , Proteins/genetics , Proteins/immunology , Rabbits , Rats , Rats, Sprague-Dawley , Sequence Alignment , Spermatocytes/physiology
15.
Biochem Biophys Res Commun ; 406(3): 420-2, 2011 Mar 18.
Article in English | MEDLINE | ID: mdl-21329674

ABSTRACT

Benign familial chronic pemphigus (Hailey-Hailey disease, HHD; MIM 169600) is a rare autosomal dominant hereditary disorder characterized by pruritic vesicles, painful erosions and scaly erythematous plaques at the sites of friction and flexures. Mutations in ATP2C1, which encoding the human secretory pathway Ca²(+)/Mn²(+)-ATPase protein 1 (hSPCA1), have been identified as the pathogenic gene of HHD. We found a novel, distinct, heterozygous mutation during study of a Chinese patient with HHD. We identified a C→T transition at nucleotide 1235 (p.Thr352IIe), in exon 13 of ATP2C1. This observation would be useful for genetic counseling and prenatal diagnosis for affected families and in expanding the repertoire of ATP2C1 mutations underlying HHD.


Subject(s)
Calcium-Transporting ATPases/genetics , Mutation, Missense , Pemphigus, Benign Familial/genetics , Asian People , Erythema/genetics , Erythema/pathology , Groin , Humans , Male , Middle Aged , Pedigree , Pemphigus, Benign Familial/pathology
16.
ACS Appl Mater Interfaces ; 2(6): 1621-9, 2010 Jun.
Article in English | MEDLINE | ID: mdl-20499880

ABSTRACT

In an aim to harvest UV-near-visible (360-440 nm) photons as well as to increase the morphology in the bulk heterojunction solar cells, we report herein the strategic design, synthesis, and characterization of a novel excited-state intramolecular proton-transfer dye, 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4H-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4H-chromen-4-one (FT), which bears two key functional groups, namely 3-hydroxychromone chromophore and trithiophene backbone and is then exploited into the blends of regioregular poly(3-hexylthiophene) (RR-P3HT) and phenyl-C(61)-butyric acid methyl ester (PCBM). FT acts as an excellent UV-near visible absorber, which then undergoes excited-state intramolecular proton transfer, giving rise to an orange-red proton-transfer emission that was reabsorbed by P3HT via a Forster type of energy transfer. Introduction of FT to P3HT/PCBM blend films also improves the morphology of phase separated structure, in particular, enhances the interaction of P3HT chains and the hole mobility. In this work, under the optimized condition of P3HT: PCBM:FT of 15:9:2 in weight ratio, the best performance of the device B-FT2 revealed consistent enhancements in the efficiency (eta) 4.28% and short-circuit current (J(sc)) 12.53 mAcm(-2), which are higher than that (3.68% and 10.28 mAcm(-2)) of the best performance of the control device B (P3HT:PCBM 15:9 in weight ratio) by 16 and 22%, respectively.

17.
Chemistry ; 16(14): 4315-27, 2010 Apr 12.
Article in English | MEDLINE | ID: mdl-20229532

ABSTRACT

Treatment of the metal reagent IrCl(3)nH(2)O with two equivalents of 2-pyridyl pyrazole (N;N)H (3-tert-butyl-5-(2-pyridyl) pyrazole, (bppz)H and 3-trifluoromethyl-5-(2-pyridyl) pyrazole, (fppz)H), afforded the isomeric Ir(III) metal complexes with a general formula cis-[Ir(bppz)(2)Cl(2)]H (2 a), trans-[Ir(bppz)(2)Cl(2)]H (3 a), cis-[Ir(fppz)(2)Cl(2)]H (2 b), and trans-[Ir(fppz)(2)Cl(2)]H (3 b). Single-crystal X-ray diffraction studies on 2 b and 3 a revealed the coexistence of two pyrazolate chelates and two terminal chloride ligands on the coordination sphere. Subsequent reactivity studies confirmed their intermediacy to the preparation of homoleptic mer-[Ir(bppz)(3)] (1 a) and mer-[Ir(fppz)(3)] (1 b) that showed dual intraligand and ligand-to-ligand charge-transfer phosphorescence at room temperature. To attain bright, room-temperature phosphorescence further, we then synthesized two isoquinolinyl pyrazolate complexes, mer-[Ir(bipz)(3)] (4 a) and mer-[Ir(fipz)(3)] (4 b) ((bipz)H=3-tert-butyl-5-(1-isoquinolyl) pyrazole and (fipz)H=3-trifluoromethyl-5-(1-isoquinolyl) pyrazole). Their orange luminescence is mainly attributed to the mixed MLCT/pipi* transition, and the quantum yields were as high as 86 (4 a) and 50 % (4 b) in degassed CH(2)Cl(2) solution at RT. The organic light-emitting diodes (OLEDs) were then fabricated by using 4 a as a dopant, giving orange luminescence with CIE(x,y)=0.55, 0.45 (CIE(x,y)=the 1931 Commission Internationale de L'Eclairage (x,y) coordinates) and peak efficiencies of 14.6 % photon/electron, 34.8 cd A(-1), 26.1 lm W(-1). The device data were then compared with the previously reported heteroleptic complex [Ir(dfpz)(2)(bipz)] (5) ((dfpz)H=1-(2,4-difluorophenyl) pyrazole), revealing the possible effect of the bipz chelate and phosphor design on the overall electrophosphorescent performance, which can be understood by the differences in the carrier-transport properties.

18.
Inorg Chem ; 49(4): 1372-83, 2010 Feb 15.
Article in English | MEDLINE | ID: mdl-20078045

ABSTRACT

A series of charge-neutral mononuclear Pt(II) complexes Pt(fpbpy)(pz) (3a), Pt(fpbpy)(dmpz) (4a), Pt(fpbpy)(dbpz) (5a), and Pt(fpbpy)(dtfpz) (6a), fpbpyH = 6-(5-trifluoromethyl-pyrazol-3-yl)-2,2'-bipyridine, pzH = pyrazole, dmpzH = 3,5-dimethylpyrazole, dbpzH = 3,5-di-tert-butylpyrazole, and dtfpzH = 3,5-bis(trifluoromethyl)pyrazole, and the cationic Pt(II) dimer [{Pt(fpbpy)}(2)(mu-pz)](+) (3b), [{Pt(fpbpy)}(2)(mu-dmpz)](+) (4b), and [{Pt(fpbpy)}(2)(mu-dbpz)](+) (5b) were synthesized. Series a mononuclear complexes reveal two distinctive ligand arrangements. As unveiled by X-ray crystallography, 3a exhibits a nearly perfect planar geometry, while structural determination on 6a shows a perpendicular arrangement of dbpz ligand due to steric congestion. In sharp contrast, the dinuclear complexes, exemplified by 4b and 5b, display an intramolecular Pt...Pt separation of 3.601 and 3.403 A, respectively. As for photophysical properties, the structural variation leads to a salient difference in emission features between 3a (580 nm) and 6a (510 nm). The results are rationalized by the contribution of ligand-to-ligand charge transfer and intraligand pi-pi* transition for 3a and 6a in the lowest-lying excited state, respectively. On the other hand, dinuclear complexes 3b and 4b reveal dual phosphorescence (denoted as P(1) and P(2) bands), for which the short wavelength emission (the P(1) band) is akin to that observed for the intraligand pi-pi* transition of 6a, while the much red-shifted, broad emission (the P(2) band) is attributed to the formation of intramolecular ligand-metal-to-metal charge transfer excimer transition. Further studies of relaxation dynamics on both 3b and 4b showed fast excited-state equilibrium between the P(1) and P(2) bands. In contrast, only the P(2) emission band was resolved for 5b, indicating its exergonic excimer formation. Supplementary support of the excited-state thermodynamics is also provided by time-dependent density functional theory calculations, incorporating both geometry optimized S(0) and T(1) states.

19.
Proteins ; 78(5): 1266-81, 2010 Apr.
Article in English | MEDLINE | ID: mdl-19967787

ABSTRACT

The new coarse graining model PRIMO/PRIMONA for proteins and nucleic acids is proposed. This model combines one to several heavy atoms into coarse-grained sites that are chosen to allow an analytical, high-resolution reconstruction of all-atom models based on molecular bonding geometry constraints. The accuracy of proposed reconstruction method in terms of structure and energetics is tested and compared with other popular reconstruction methods for a variety of protein and nucleic acid test sets.


Subject(s)
Computer Simulation , Models, Molecular , Nucleic Acid Conformation , Nucleic Acids/chemistry , Protein Conformation , Proteins/chemistry , Algorithms , Molecular Structure , Nucleic Acids/metabolism , Protein Interaction Mapping/methods , Proteins/genetics , Proteins/metabolism , Software
20.
Front Biosci (Elite Ed) ; 2(1): 187-94, 2010 01 01.
Article in English | MEDLINE | ID: mdl-20036869

ABSTRACT

LM23 is a gene with testis-specific expression in Rattus norvegicus. To reveal the function of LM23 in the testis, we used lentivirus-mediated RNA interference (RNAi) to knock down LM23 expression in a tissue-specific manner in vivo. A lentiviral vector expressing a short hairpin RNA (shRNA) targeting LM23 was microinjected into the efferent ducts of R. norvegicus testes. The expression of LM23 in the treated testes was significantly knocked down compared with controls. These LM23-shRNA testes contained germ cells arrested at the spermatocyte stage, and showed increased apoptosis and disregulation of some meiotic genes. The results demonstrate the validity of the RNAi approach for targeting LM23 and reveal that LM23 expression in the testis is crucial for meiosis during spermatogenesis in R. norvegicus.


Subject(s)
Proteins/metabolism , Spermatogenesis/genetics , Testis/metabolism , Animals , Cell Cycle Proteins , DNA Primers/genetics , Genetic Vectors/genetics , Green Fluorescent Proteins/metabolism , In Situ Nick-End Labeling , Lentivirus , Male , RNA Interference , Rats , Reverse Transcriptase Polymerase Chain Reaction
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