Synthesis, characterization and DFT studies of two new pi-conjugated-conjugated pyridine-based tetrathiafulvalene derivatives.

Two new pi-conjugated pyridine-based tetrathiafulvalene derivatives, 2-(2- (4,5-bis(methylthio)-1,3-dithiol-2-ylidene)-6-phenyl-[1,3]dithiolo[4,5-b][1,4]dithiin-5-yl)pyridine (2a) and 3-(2-(4,5-bis(methylthio)-1,3-dithiol-2-ylidene)-6-(pyridin-2-yl) -[1,3]dithiolo[4,5-b][1,4]dithiin-5-yl)quinoline (2b), have been synthesized and characterized by 1H NMR, elemental analysis and mass spectroscopies. The compound 2a has also been studied by X-ray crystallography and theoretical calculations using density functional theory (DFT) framework with B3LYP/6-311+G(d,p) level of theory. Its crystal structure is triclinic system, space group P1-. The unit cell dimensions are: a = 8.813(3) Å, b = 11.082(3) Å, c = 12.620(4) Å, alfa = 88.805(5)°, beta = 80.440(5)°, gama = 75.680(5)°, V = 1177.3(6) Å3, Z = 2. The molecule exhibits one classical C-H···N intermolecular hydrogen bonds, two kinds of short intermolecular S···S interactions and two types of C-H···pi supramolecular interactions.

Birth weight and large for gestational age trends in offspring of pregnant women with gestational diabetes mellitus in southern China, 2012-2021.

Background: With increasing prevalence of gestational diabetes mellitus (GDM) and changing management of GDM in pregnancy, it is imperative to understand the evolution of its current outcomes. The present study aimed to explore whether birth weight and large for gestational age (LGA) trends in women with GDM have changed over time in southern China. Methods: In this hospital-based retrospective study, all singleton live births for the period 2012 to 2021 were collected from the Guangdong Women and Children Hospital, China. GDM was diagnosed following the criteria of the International Association of Diabetes and Pregnancy Study Group. The cutoff points for defining LGA (>90th centile) at birth based on INTERGROWTH-21st gender-specific standards. Linear regression was used to evaluate trends for birth weight over the years. Logistic regression analysis was used to determine the odds ratios (ORs) of LGA between women with GDM and those without GDM. Results: Data from 115097 women with singleton live births were included. The total prevalence of GDM was 16.8%. GDM prevalence varied across different years, with the lowest prevalence in 2014 (15.0%) and the highest prevalence in 2021 (19.2%). The mean birth weight displayed decrease in women with GDM from 3.224kg in 2012 to 3.134kg in 2021, and the z score for mean birth weight decreased from 0.230 to -0.037 (P for trend < 0.001). Among women with GDM, the prevalence of macrosomia and LGA reduced significantly during the study period (from 5.1% to 3.0% in macrosomia and from 11.8% to 7.7% in LGA, respectively). Compared to women without GDM, women with GDM had 1.30 (95% CI: 1.23 - 1.38) times odds for LGA, and the ORs remained stable over the study period. Conclusions: Among offspring of women with GDM, there are decreased trends of birth weight in parallel with reductions in LGA prevalence between 2012 and 2021. However, the risk of LGA in women with GDM remains stable at relatively high level over the 10-year period, and efforts are still needed to address regarding causes and effective intervention strategies.

[Clinical significance of counting follicles in diagnosis of polycystic ovary syndrome by the three-dimensional ultrasound imaging with sonography based automated volume calculation method].

OBJECTIVE: To investigate clinical significance of counting follicles classification by three-dimensional imaging with sonography based automated volume calculation (SonoAVC) in the diagnosis of polycystic ovary syndrome (PCOS). METHODS: Eighty cases with PCOS were counted classified follicles and determined ovarian volume by three-dimensional (3D) imaging with SonoAVC method matched with 60 infertile women with fallopian tube or male factors as control. Main clinical, biological and other ultrasonographic markers were assessed during the early follicular phase, and the relationship between the follicle number range per ovary or the volume per ovary and the major hormonal features of PCOS was studied. RESULTS: Three-dimensional ultrasound imaging with SonoAVC method provides a new path for objective quantitative assessment of follicle count, ovarian volume, total follicle numbers. The volume of (11 ± 8) ml, total numbers of 27 ± 14 follicle and number of 22 ± 19 follicle with diameter of ≥ 2 - < 6 mm in PCOS patients were significantly higher than (6 ± 4) ml in ovarian volume, 6 ± 4 in total follicles and 2 ± 3 in follicle with diameter of ≥ 2 - < 6 mm in controls (P < 0.05), while follicles were similar for the ≥ 6 - ≤ 9 mm range (P > 0.05). Total follicle numbers and follicles ≥ 2 - < 6 mm had significantly positive relationships with ovarian volume (r = 0.600, 0.618, P < 0.01) and level of testosterones (r = 0.364, 0.291, P < 0.05), follicles ≥ 2 - < mm also had significantly positive relationships with total follicle number (r = 0.916, P < 0.01). The follicles within the ≥ 6 - ≤ 9 mm range was significantly and negatively related to ovarian volume and total follicle numbers (r = -0.618, -0.263, all P = 0.001), but no significantly related to the major hormonal features of PCOS. The ovarian volume was significantly positively related with luteinizing hormone (LH)/follicle stimulating hormone (FSH) ratio (r = 0.282, P = 0.010) but negatively related to FSH level (r = -0.226, P = 0.042). CONCLUSIONS: Ovarian volume, total follicle numbers and follicles ≥ 2 - < 6 mm in PCOS patients were significantly higher than those in controls. The larger ovarian volume might produce more total follicle and follicles ≥ 2 - < 6 mm. The higher level of testosterone might produce more total follicle probably, which mainly result in more follicles ≥ 2 - < 6 mm. These morphologically ultrasonographic characteristics could reflect pathophysiological changes in PCOS. Obviously, it has important clinical significance to count follicles in patients with PCOS by the three-dimensional ultrasound imaging with SonoAVC method.

New Iridium Complex Coordinated with Tetrathiafulvalene Substituted Triazole-pyridine Ligand: Synthesis, Photophysical and Electrochemical Properties.

A new iridium(III) complex based on the triazole-pyridine ligand with tetrathiafulvalene unit, [Ir(ppy)2(L)]PF6 (1), has been synthesized and structurally characterized. The absorption spectra, luminescent spectra and electrochemical behaviors of L and 1 have been investigated. Complex 1 is found to be emissive at room temperature with maxima at 481 and 510 nm. The broad and structured emission bands are suggested a mixing of 3LC (3π-π*) and 3CT (3MLCT) excited states. The influence of iridium ion coordination on the redox properties of the TTF has also been investigated by cyclic voltammetry.

[Apoptosis of human carcinoma of mouth floor KB cells and multidrug resistant KBv200 cells induced by azide methyl anthraquinone derivative].

AIM: To determine the effects of azide methyl anthraquinone derivative (AMAD) on growth inhibition and inducing apoptosis of multidrug resistant (MDR) KBv200 cells and parental drug-sensitive KB cells. METHODS: Cytotoxicity was determined by tetrazolium (MTF) assay. Reactive oxygen species (ROS) levels and mitochondrial membrane potential (deltapsi(m)) in cells were labeled with DCFH-DA and DiOC6 and tested by flow cytometry. Annexin V stain and DNA ladder were used to examine the apoptosis of KB and KBv200 cells induced by AMAD. RESULTS: AMAD was shown to inhibit the growth of KB and KBv200 cells significantly in a concentration-dependent manner, with mean IC50 of 0.36 and 0.45 micromol x L(-1), respectively. The generation of ROS increased obviously after the cells were treated with AMAD for 12 h, up to the peak in 24 h, meanwhile the levels of deltapsi(m) were time-dependently decreased. DNA fragmentation appeared on the agarose gel. Annexin V stain showed AMAD induced apoptosis of KB and KBv200 cells also in a concentration-dependent manner. CONCLUSION: AMAD showed inhibitory effect on both MDR KBv200 cells and parental drug-sensitive KB cells. The mechanism of action was associated with the increase of the cellular ROS level and the decrease of the mitochondrial membrane potential induced by AMAD, which result in cell apoptosis.

Experimental chemotherapy against xenografts derived from multidrug resistant KBv200 cells and parental drug-sensitive KB cells in nude mice by annonaceous acetogenin 89-2.

AIM: Annonaceous acetogenin 89-2 was obtained from atemoya plant. To investigate the effect of 89-2 on experimental chemotherapy against xenografts derived from multidrug resistant KBv200 cells and parental drug-sensitive KB cells. METHODS: Cytotoxicity was determined by tetrazolium (MTT) assay. The models of KB and KBv200 xenografts in nude mice were established to investigate the effect of 89-2 on experimental chemotherapy against cancer in vivo. Mechanistic experiments were conducted to examine the function of P-gp by Fura 2-AM assay. RESULTS: The compound 89-2 showed potent cytotoxicity in KBv200 and KB cells, and the mean IC50 of 89-2 to KBv200 and KB cells was 48.7 and 64.6 nmol.L-1, respectively. The IC50 of 89-2 to multidrug resistant (MDR) cells was similar to that to the parental drug-sensitive cells (P < 0.05). In the models of KBv200 and KB cell xenografts in nude mice, 89-2 (0.90 mg.kg-1, q2d x 6) exhibited 52.3% and 56.5% in inhibiting the growth of xenografts, respectively. The toxicity was endurable. The intracellular accumulation of Fura-2 in KBv200 cells increased to 1.66, 2.03, and 2.74-fold, respectively, by addition of 12.8, 64 and 320 nmol.L-1 of 89-2. CONCLUSION: Both MDR KBv200 cells and parental drug-sensitive KB cells were sensitive to the treatment of 89-2 in vitro and in vivo. The mechanism of overcoming MDR was associated with the decrease of P-gp function MDR cells.

Prognostic value of plasma human ß-defensin 2 level on short-term clinical outcomes in patients with community-acquired pneumonia: a preliminary study.

BACKGROUND: Plasma level of human ß-defensin 2 (HBD-2), noted to play a role in lung inflammatory diseases, is elevated in patients with pneumonia. OBJECTIVE: To investigate the prognostic value of plasma HBD-2 concentration in predicting 30-day clinical outcomes in patients with community-acquired pneumonia (CAP). METHODS: Patients with CAP were divided into 2 groups, based on the 30-day clinical outcomes, presence or absence of adverse outcomes (death, need for invasive mechanical ventilation, development of new complication of pneumonia). Demographic data, comorbidities, baseline clinical and laboratory features, plasma HBD-2 concentration, and the CURB-65 (confusion, urea nitrogen, breathing frequency, blood pressure, ≥ 65 years of age) scores on admission were compared between the 2 groups in univariable analysis. Multivariable logistic regression was used to test the predictor of adverse outcomes. Receiver operating characteristic analyses were used to calculate the power of the assays to predict the 30-day adverse outcomes. RESULTS: We enrolled 361 subjects with CAP between March 2007 and March 2011. Univariate analysis revealed the following as predictive factors: age, smoking status, duration from symptom onset to admission, bilateral radiographic changes, total white-blood-cell count, serum sodium, serum potassium, serum albumin, plasma HBD-2 concentration, CURB-65 score, and comorbidities. In the multivariable logistic regression, plasma HBD-2 concentration, CURB-65 score, and age were independent predictors of 30-day adverse outcomes. In the receiver operating characteristic analysis, plasma HBD-2 concentration had an area under the curve of 0.77 (95% CI 0.71-0.82); the optimal cutoff point was 12.5 mg/L (sensitivity of 63%, specificity of 84%, positive predictive value of 42%, and negative predictive value of 88%), which predicted 30-day adverse outcomes in subjects with CAP. CONCLUSIONS: In CAP patients, plasma HBD-2 level on admission is associated with 30-day clinical outcomes, and lower plasma HBD-2 level is an independent predictor for adverse outcomes. Plasma HBD-2 level may become a useful tool for prognostic stratification in patients with CAP.

[Bone marrow immunophenotypes of 112 cases of lymphoid system malignant diseases].

BACKGROUND & OBJECTIVE: Diagnosis of lymphocytic leukemia and non-Hodgkin's lymphoma (NHL) is based on bone marrow morphology. Immunophenotyping will make diagnosis more precise through analyzing the origin and differentiation status of tumor, which is necessary for treatment and prognosis prediction. This study was to analyze the immunophenotypic characteristics of lymphocytic leukemia and NHL with bone marrow involvement using flow cytometry (FCM). METHODS: Bone marrow specimens from 112 patients with lymphocytic leukemia or NHL with bone marrow involvement were detected by FCM using antibodies of T, B and myeloid cell series. Using CD45/SSC gating strategy, the samples were analyzed with 5 parameters (FSC, SSC, McAb1-FITC, McAb2-PE, CD45-cytochrome). RESULTS: In 45 cases of precursor B lymphoblastic leukemia/lymphoma (B-ALL/LBL), the antigens were mainly CD19, CD10, TdT, CD34, HLA-DR, and CD20. In 32 cases of precursor T lymphoblastic leukemia/lymphoma (T-ALL/LBL), the antigens were mainly CD7, CD5, cytoplasmic (Cy)CD3, TdT, CD34, surface CD3 (sCD3), and HLA-DR. Of the 77 cases of precursor ALL/LBL, 28(36.4%) expressed myeloid-associated antigens, such as CD13 and CD33; 9 (20.0%) cases of B-ALL/LBL coexpressed CD20 and CD34; 28(87.5%) cases of T-ALL/LBL coexpressed cyCD3 and TdT. Among the 35 cases of mature B-cell malignancies, 17 cases of chronic lymphocytic leukemia/small lymphocytic lymphoma (CLL/SLL) mainly expressed CD19, CD20, CD5, HLA-DR, with coexpression of CD19 and CD5; 4 cases of diffuse large B-cell lymphoma (DLBCL) mainly expressed CD19, CD20, CD10, and HLA-DR; 3 cases of Burkitt's lymphoma (BL) mainly expressed CD19, CD10, CD20, and sIgM; 1 case of mantle cell lymphoma (MCL) expressed CD5, CD19, CD20, and HLA-DR. Among the 10 mature T-cell malignancies, 5 cases of unspecialied peripheral T-cell lymphoma (PTCL) mainly expressed sCD3, CD5 and CD7, CD4 or CD8; 1 case of anaplastic large cell lymphoma (ALCL) expressed sCD3 and HLA-DR; 4 cases of NK/T-cell malignancies expressed CD56 and HLA-DR, CD4 or CD8 or CD7. Mature lymphoid system malignancies didn't express early antigens, such as CD34 and TdT, but expressed myeloid-associated antigens, especially CD13 and CD33. CONCLUSION: Multiparameter FCM can not only provide data of cell lineage and differentiation status but also detect phenotypic aberrancies, which is helpful for minimal residual disease detecting.

[Pathogen spectrum and drug resistance of spit samples from cancer patients].

BACKGROUND & OBJECTIVE: Some cancer patients were not died of cancer, but died of infection after operation, chemotherapy, radiotherapy, or interventional treatment. This study was to investigate the pathogen spectrum and drug resistance of spit samples from cancer patients. METHODS: The pathogen spectrum and drug resistance of 955 positive spit samples from cancer patients were analyzed with WHONET-5 statistical software. RESULTS: The detection rates were 43.3% for fungus (mainly included C.albicans), 31.2% for Gram-positive coccus (mainly included coagulase-negative Staphylococcus), and 25.5% for Gram-negative bacillus (mainly included P.aeruginosa and K.pneumonia). Drug sensitivity test showed that fungus was sensitive to amphotericin B, but resistant against categorical azoles; Gram-positive coccus was highly sensitive to vancomycin, but highly resistant against oxacillin, penicillin and erythromycin; Gram-negative bacillus was highly sensitive to impanel, but highly resistant against the first and second generations of cephalosporin such as ampicillin and piperacillin. CONCLUSIONS: The pathogen spectrum of cancer patients with nosocomial infection mainly includes fungus, Gram-positive coccus, and Gram-negative coccus. Treating cancer patients with antibiotics should be based on drug sensitivity test.

[Cytokine responses after lobectomy: a prospective randomized comparison of video-assisted thoracoscopic surgery and minimal incision thoracotomy].

BACKGROUND & OBJECTIVE: The cytokine network plays a pivotal role in inducing acute-phase inflammatory and immunologic responses to surgical trauma. Whether lesser release of cytokines by mini-invasive operation can reduce acute-phase responses and better preserve immune functions needs to be explored. This prospective randomized study was to compare the effects of video-assisted thoracoscopic surgery (VATS) and minimal incision thoracotomy (MIT) on serum levels of cytokines after lobectomy for clinical early stage non-small cell lung cancer (NSCLC). METHODS: From Mar. 2004 to Dec. 2006, 47 consecutive patients with early stage NSCLC (tumor size was

[Analysis of serum T-lymphocyte subsets and NK cell activity in patients with hypopharyngeal squamous cell carcinoma].

BACKGROUND & OBJECTIVE: T-lymphocyte subsets and NK cell are the major forms of cellular immunity. Study of these 2 types of cells may lead to the better understanding of the function of cellular immunity in the onset and development of carcinoma. To a certain degree, there may be cellular immunodeficiency existing in patients with hypopharyngeal squamous cell carcinoma. This study was to investigate the cellular immunity function in these patients. METHODS: T-lymphocyte subsets and NK activity were determined by flow cytometry in 78 patients with hypopharyngeal squamous cell carcinoma. Blood samples of 20 non-tumor patients were used as control. RESULTS: The levels of CD4 lymphocyte subsets, CD4/CD8 ratio, and NK activity were lower in carcinoma group than in control group, but CD8 lymphocyte level was higher in carcinoma group. The levels of CD4 lymphocyte subsets, CD4/CD8 ratio, and NK activity were lower in T3-4 group than in T1-2 group, and lower in N+ group than in N0 group. The levels of CD4 lymphocyte subsets and CD4/CD8 ratio were decreased in the carcinoma with moderate or low differentiation (P<0.05). CONCLUSIONS: T-lymphocyte subsets and NK activity are inhibited, and the cellular immunology is suppressed in the patients with hypopharyngeal squamous cell carcinoma. Analyzing T-lymphocyte subsets and NK activity would be helpful to evaluate the cellular immunologic condition of these patients.

[The value of multiparameter flow cytometry in diagnosis of lymphocytic leukemia and bone marrow involvement of non-Hodgkin's lymphoma].

BACKGROUND & OBJECTIVE: Lymphocytic leukemia and bone marrow involvement of non-Hodgkin's lymphoma (NHL) can be diagnosed by bone marrow morphology or lymph node biopsy combined with bone marrow examination. The data of original and differentiation status of tumor can be analyzed by immunophenotype of bone marrow. These are necessary for diagnosis and treatment of lymphocytic malignancy. This study was designed to investigate the value of multiparameter flow cytometry in diagnosis of leukemia and bone marrow involvement of NHL. METHODS: The samples from 11 cases of untreated leukemia bone marrow and 41 cases of untreated NHL with bone marrow involvement and 2 cases of bone marrow whose biopsy could not be obtained due to huge mass in mediastinum and abdomen were detected by multiparameter flow cytometry using antibodies of T, B, Myeloid cell series. Three-color staining was done by CD45 combined with two cell series or special phase antibodies. Using CD45/SSC set gate to identify blast cells from mature cells. The samples were analyzed using five parameters [forward scatter (FSC), side scatter(SSC), McAb1-FITC, McAb2-PE, and CD45-cychrome]. RESULTS: Immunophenotype and diagnosis of 11 cases of leukemia were further confirmed by flow cytometry (FCM). Of 41 cases of NHL with bone marrow involvement, 33 cases (80.5%) lymph nodes immunophenotype by pathology diagnosis were consistent with bone marrow immunophenotype by FCM, 8 cases (19.5%) were inconsistent, but right diagnosis were made by combining with clinical presentation, pathology, bone marrow morphology and FCM. Another 2 cases with huge mediastinal mass and abdominal mass were diagnosed as T-NHL and B-NHL by bone marrow morphology and FCM without lymph node biopsy. CONCLUSION: Multiparameter flow cytometry of bone marrow can further ascertain the diagnosis of leukemia and NHL with bone marrow involvement. It also gives us data of cells lineage and differentiation status for leukemia and NHL. It is helpful for diagnosis, differential diagnosis, and treatment.