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The mechanical behavior of polyethylene (PE) co-polymerized with polyhedral oligomeric silsesquioxane (POSS) was studied by using molecular simulations. Simulation configurations consisted of aligned PE chains with POSS attached to the central chain and amorphous PE chains with different content POSS. From the simulations with aligned PE chains with POSS, it was found that the method for reinforcement was due to dislocation pile-up at POSS, and above a critical stress the dislocations traverse the POSS causing a sawtooth variation in the load-displacement curve. The stress-strain curves for amorphous PE-POSS bulk showed distinct elastic and plastic straining stages. Plastic straining consisted of hardening and slipping segments attributed to dislocation pile-up and chain sliding. Computational results were used to develop a reinforcement model to describe the mechanical response of PE-POSS bulk under uniaxial tension.

Up to now, the experience that matching the total and local charge in advance will effect on the success of synthesis for metal–organic frameworks has been confirmed. In this work, we report two tetrazole-frameworks based on binuclear and trinuclear cluster Zn, respectively, namely [Zn2(btz)2(bdc)]·(solvents) (1) and [Zn3(atz)(bdc)3]·(cation)·(solvents) (2) (bdc = 1,4-benzenedicarboxylate acid, btz = 5-benzyl-1H-tetrazole, atz = 5-amino-1H-tetrazole). The result showed that pre-computing the charge can determine whether ionic template agent should present in the synthetic process, which could perfect the intentionality of design and synthesis of crystalline materials. Meanwhile compound 1 also exhibited the characteristic of reversible adsorption of iodine. Presented here is that pre-computing the total and local charge can determine whether ionic template agent should be added during the synthetic process, which could perfect the intentionality of design and synthesis of metal-organic frameworks.

Herein, a Co(II) heteroatom metal-organic framework was successfully post-modified via unsaturated coordinated S precisely capturing Ni2+ on the surface of the porous structure. The newly pristine bimetallic MOFs have increasing active edge sites (Ni(II) and S), boosting electrocatalytic activity toward oxygen evolution reaction and hydrogen evolution reaction.

Illigera aromatica was fermented by Clonostachys rogersoniana. The acetylcholinesterase (AChE) inhibitory effects of unfermented and fermented I. aromatica revealed that C. rogersoniana-fermented I. aromatica (CFIA) induced significantly more AChE inhibitory activity (IC50: 35.4 ± 2.1 μg/mL). The biotransformation of actinodaphnine (1) into (4R,6aS)-4-hydroxyactinodaphnine (2) was found during the fermentation, which played an important role in the improvement of the AChE inhibitory activity of I. aromatica. Subsequently, the fermentation conditions—including the solid–liquid ratio, fermentation temperature, and fermentation time—were optimized. I. aromatica immersed in 100–200% water and fermented with C. rogersoniana at ambient temperature for 30 days was conducive to the biotransformation of actinodaphnine (1) and improved the AChE inhibitory activity of I. aromatica. The present study provides a novel approach for improving the pharmacological effect of I. aromatica and suggests that CFIA may be used as an alternative AChE inhibitor.

Objective To explore whether follicular fluid (FF) concentrations of phthalate metabolites are associated with levels of intrafollicular reproductive hormones in women undergoing in vitro fertilization. Design Cross-sectional study. Setting University-affiliated reproductive medicine center. Patient(s) A total of 194 women each contributed one FF sample at oocyte retrieval. Intervention(s) FF aspirates from individual follicles (≥18 mm in diameter) were collected. We measured eight phthalate metabolites and four ovarian hormones in the FF samples. Main Outcome Measure(s) Per-follicle E2, P, total T, and antimullerian hormone (AMH) concentrations. Result(s) Most phthalate metabolites were highly detected in FF samples. We observed a dose-response relationship between increasing monomethyl phthalate (MMP) tertiles and lower E2, P, and T levels. Women in the third tertile of MMP had decreases of 34.23%, 9.44 ng/L, and 23.28% in E2, P, and T, respectively, compared with women in the first tertile. Tertiles of monoethyl phthalate and the percentage of di(2-ethylhexyl) phthalate) metabolites excreted as mono(2-ethylhexyl) phthalate were inversely associated with P. We also identified a negative relationship between monobenzyl phthalate tertiles and AMH. In addition, positive correlations between some of the phthalate metabolites and ovarian hormones were detected. Conclusion(s) FF concentrations of certain phthalate metabolites were associated with altered levels of intrafollicular reproductive hormones, which raises concern over a potential deleterious effect of environmental phthalate exposure on the endocrine capacity and viability of theca and granulosa cells.

Signal transducer and activator of transcription 4 (STAT4) has been implicated in the progression of myocarditis. The aim of the current study was to investigate the role by which STAT4 influences autoimmune myocarditis in an attempt to identify a theoretical therapeutic perspective for the condition. After successful establishment of an autoimmune myocarditis rat model, the expression patterns of STAT4, NF-κB pathway-related genes, Th1 inflammatory cytokines (IFN-γ and IL-2), and Th2 inflammatory cytokines (IL-6 and IL-10) were subsequently determined. The rats with autoimmune myocarditis were treated with oe-STAT4 or sh-STAT4 lentiviral vectors to evaluate the role of STAT4 in autoimmune myocarditis, or administrated with 1 mL 10 μmol/L of BAY11-7082 (the NF-κB pathway inhibitor) via tail vein to investigate the effect of the NF-κB pathway on autoimmune myocarditis. Finally, cell apoptosis was evaluated. The serum levels of IFN-γ and IL-2, extent of IκBα and P65 phosphorylation, and the expression of STAT4 were elevated, while the serum levels of IL-6 and IL-10 as well as the expression of IκBα were reduced among the rats with autoimmune myocarditis, which was accompanied by an increase in the apoptotic cells. More importantly, the silencing of STAT4 or the inhibition of the NF-κB pathway was detected to result in a decrease in the serum levels of IFN-γ and IL-2 and an elevation of the serum levels of IL-6 and IL-10, and inhibited myocardial cell apoptosis in rats with autoimmune myocarditis. Moreover, STAT4 silencing was also observed to decrease the extent of IκBα and P65 phosphorylation while acting to elevate the expression of IκBα. Taken together, silencing of STAT4 could hinder the progression of autoimmune myocarditis by balancing the expression of Th1/Th2 inflammatory cytokines via the NF-κB pathway, which may provide a novel target for experimental autoimmune myocarditis (EAM) treatment.

Ni(II) coordination polymer nanosheets (Ni-CPNS) were prepared via a top-down liquid ultrasonication exfoliation method. For the first time, Ni-CPNS was used as a co-catalyst (Ni-CPNS@CdS) via a mechanical grinding strategy. The optimized Ni-CPNS@CdS catalyst reached a super high visible-light photocatalytic hydrogen production activity of 10 210 μmol h−1 g−1, exceeding that of bare CdS nanoparticles by 1480%. Our work can open new avenues towards the design of stable and cheap CPNS co-catalysts to replace expensive and rare noble metals for photocatalysis processes.

Background Phthalates, which are used as excipients of drugs, have been related to adverse reproductive outcomes. However, the relationships between medication use and phthalate exposure among women undergoing in vitro fertilization (IVF) have not been studied. Objective To investigate the associations between the medication intake and phthalate metabolites in urine and follicular fluid (FF). Method Eight phthalate metabolites were measured in urine and FF samples from 274 women undergoing IVF using liquid chromatography-tandem mass spectrometry. Information on recent medication intake was obtained via interview by trained staff. We constructed generalized linear regression models to examine the associations of medication intake with phthalate metabolite concentrations and dose-response relationships between the number of medicines used and metabolite concentrations in two matrices. Results Four of 10 drugs were used by more than 10% of the participants, including vitamins (23.0%), traditional Chinese medicine (TCM, 22.3%), antioxidants (12.4%) and amoxicillin (10.2%). Participants who had used TCM had 26.0% (95% CI: 0.0, 58.8%), 32.6% (95% CI: 4.2, 68.8%) and 32.3% (95% CI: 2.6, 70.6%) higher urinary mono-n-butyl phthalate (MBP), mono(2-ethyl-5-hydroxyhexyl) phthalate (MEHHP) and mono(2-ethyl-5-oxohexyl) phthalate (MEOHP) concentrations, respectively, than those who had not. Antioxidant intake was associated with a 30.6% (95% CI: −48.5, −6.6%) decrease in the urinary MBP concentration. Compared with non-users, women who reported the use of medicines had 53.2% (95% CI: 2.7, 128.5%) higher concentrations of MMP and a 37.7% (95% CI: −60.7, −1.5%) lower level of MBP in FF, respectively. Conclusion Our data suggest that the intake of some medications may increase phthalate exposure among women undergoing IVF.

Experimental studies have demonstrated that disinfection byproducts (DBPs) can cause ovarian toxicity including inhibition of antral follicle growth and disruption of steroidogenesis, but there is a paucity of human evidence. We aimed to investigate whether urinary biomarkers of exposure to drinking water DBPs were associated with ovarian reserve. The present study included 956 women attending an infertility clinic in Wuhan, China from December 2018 to January 2020. Antral follicle count (AFC), ovarian volume (OV), anti-Mullerian hormone (AMH), and follicle-stimulating hormone (FSH) were measured as indicators of ovarian reserve. Urinary dichloroacetic acid (DCAA) and trichloroacetic acid (TCAA) were assessed as potential biomarkers of drinking water DBP exposures. Multivariate linear and Poisson regression models were applied to estimate the associations of urinary DCAA and TCAA concentrations with indicators of ovarian reserve. Elevated urinary DCAA and TCAA levels were monotonically associated with reduced total AFC (− 5.98%; 95% CI: − 10.30%, − 1.44% in DCAA and − 12.98%; 95% CI: − 17.00%, − 8.76% in TCAA comparing the extreme tertiles; both P for trends ≤ 0.01), and the former was only observed in right AFC but not in left AFC, whereas the latter was estimated for both right and left AFC. Moreover, elevated urinary TCAA levels were monotonically associated with decreased AMH (− 14.09%; 95% CI: − 24.79%, − 1.86% comparing the extreme tertiles; P for trend = 0.03). These negative associations were still observed for the exposure biomarkers modeled as continuous variables. Our findings suggest that exposure to drinking water DBPs may be associated with decreased ovarian reserve.

A new method was developed in this paper to obtain self-film-forming polyaniline (PANI) grafting SiO2 (SiO2@PANI) sol which could form hydrophobic coatings on the surface of magnesium-lithium (Mg-Li) alloy directly for the purpose of anticorrosion. Firstly, covalently-jointed SiO2@PANI sol with core-shell structure was synthesized with (3-glycidoxypropyl)-trimethoxylsilane (GPTMS) modified SiO2 as core and PANI as shell, and then SiO2@PANI/VTMS sol was prepared after embedded SiO2@PANI with vinyl trimethoxysilane (VTMS). The structure and morphology of SiO2@PANI particle were characterized by Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy (SEM). The hydrophobic and anticorrosion properties of SiO2@PANI/VTMS coating on Mg-Li alloy were evaluated by contact angle, electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization curves. The results showed that aniline is polymerizing on the surface of SiO2 preferentially through the reaction between the epoxide group in GPTMS and amino group in aniline. The obtained SiO2@PANI sol dispersed stably in ethanol and supplied well microroughness to coatings, and subsequently enhanced hydrophobic properties of SiO2@PANI/VTMS coatings along with low surface energy supplied by VTMS. The hydrophobic angle of SiO2@PANI/VTMS coatings is high up to 133.8°. Consequently, the coatings have better corrosion resistance performance for the active Mg-Li alloy. Its impedance value is 5 × 104 Ω·cm2, and corrosion current density is merely 6.7 × 10−7 A·cm−2.

Stephania epigaea Lo is an important herbal medicine used as antiphlogistic and analgesic drugs. Its major components are dicentrine (1) and sinomenine (2). In the present study, a rapid, accurate, and precise method for simultaneous quantitation of dicentrine (1) and sinomenine (2) in S. epigeae using 1H NMR spectra was developed. The deuterated solvent of DMSO-d6 enabled satisfactory separation of the signals to be integrated in 1H NMR spectrum and dimethyl terephthalate was selected as an internal standard. The feature signals of δ 7.57 and 5.70 were selected for quantifying the dicentrine (1) and sinomenine (2), respectively. Validation of the quantitative method was performed in terms of specificity, accuracy, precision, and stability. This work implied that quantitative 1H NMR represents a feasible alternative to high-performance liquid chromatography-based methods for quantitation of dicentrine (1) and sinomenine (2) in S. epigeae and is suitable for the quality control of S. epigeae.

A phosphorized polyaniline (PANI) doped with phytic acid (PhA) was synthesized by the chemical oxide method with PhA as a dopant and applied to improve the anticorrosion properties of magnesium-lit...

A halogenated linear bridged dicarboxylic acid ligand, 2,5-dichloroterephthalic acid (H2DCTP), was used to construct three coordination polymers (CPs) with Mn(II) salts in the presence of different bis(benzimidazole) N-containing co-ligands: 1,2-bis(2-methylbenzimidazol-1-ylmethyl)benzene (L1), 1,4-bis(5,6-dimethylbenzimidazole)butane (L2) and 1,2-bis(5,6-dimethylbenzimidazol-1-ylmethyl)benzene (L3). The products formed under solvothermal conditions are formulated as [Mn(DCTP)(L1)2·(H2O)2]n (1), [Mn(DCTP)(L2)·(H2O)2]n (2) and [Mn2(DCTP)2(L3)3]n (3). These CPs were characterized by elemental analysis, single-crystal X-ray diffraction analysis, infrared spectra (IR), thermogravimetric analyses (TGA) and powder X-ray diffraction (PXRD). CP 1 exhibits a 1D wave-like chain, while CP 2 is a 2D sql layer with the point symbol {44·62} and CP 3 forms a 3D hexagon-shaped twofold interpenetrated sqc6 network with the point symbol {66}. These results indicate that the flexible bis(benzimidazole) co-ligands have a significant effect on the dimensionality of the resulting coordination framework. CPs 1–3 exhibited relatively high photocatalytic activities towards the degradation of methylene blue (MB) and methyl orange (MO) in aqueous solution under UV irradiation. Moreover, the luminescence and electrochemical properties of 1–3 were also investigated.

Two silver(I)-mixed ligand coordination polymers (CPs), {[Ag(L)(Hmip)]·H2O} n (1) and {[Ag(L)]·0.5(DCTP)·H2O]} n (2) (H2mip = 5-methylisophthalic acid, H2DCTP = 2,5-dichloroterephthalic acid, and L = 4,4′-bis(1,2,4-triazol-1-ylmethyl)biphenyl) have been hydrothermally synthesized and structurally characterized. Two CPs display 1D zigzag chain and linear chain structures, respectively. Furthermore, these 1D chains are extended into 2D supramolecular networks through hydrogen bonding interactions. The luminescence properties and photocatalytic behaviors of both CPs are reported.

In this study, a printable GO ink was prepared by dispersing 120 mg GO in 30 ml mixed solvents (deionized water : ethanol : ethylene glycol = 1 : 1 : 1). The prepared ink was inkjet-printed onto the flexible substrate PET. Printed patterns were reduced with intense pulsed light (IPL) without damaging the substrate PET. By adjusting the distance between the intense light and the patterns and number of pulses in a given time, patterns with low resistance and good flexibility were achieved. Upon printing 20 passes, the resistance decreased from 56.77 MΩ for the patterns before IPL treatment to 760.4 Ω for the patterns after IPL treatment. It was lowered by nearly four orders of magnitude. It was proved that IPL reduction on the GO ink could be used as an effective method for the synthesis of flexible electronics such as sensors.

Phthalate exposure was reported to induce defects in ovarian function, and further influence embryo development and pregnancy outcomes. However, the data about the associations of phthalates with intermediate and pregnancy outcomes of in vitro fertilization (IVF) cycles are scarce in the Chinese population.A total of 663 women receiving IVF/intracytoplasmic sperm injection (ICSI) treatments in our center were enrolled in this analysis. They provided one urine sample on the day of oocyte retrieval. We measured urinary concentrations of eight phthalate metabolites. Generalized linear models were used to analyze the associations of urinary phthalate metabolites with ovarian response, fertilization, early embryo development, and pregnancy outcomes.Among all the phthalate metabolites, mono-n-butyl phthalate (MBP) had the highest urinary concentration with a median level of 101.51 μg/g creatinine (Cr). MBP concentration was inversely associated with normal fertilization odds (overall P-trend 0.01). There was a significant correlation of monoethyl phthalate (MEP) with decreased odds of normal fertilization in medium-concentration group compared to low-concentration group (overall P-trend = 0.02). No significant associations of metabolite concentrations with the odds of good-quality embryos on day 3 or blastocyst formation were found. Monomethyl phthalate (MMP) and MEP in medium-concentration group reduced 22.4% (95% CI: 0.64-0.94, overall P-trend = 0.04) and 21.9% (95% CI: 0.64-0.95, overall P-trend = 0.05) of the odds to gain good-quality blastocyst compared to low-concentration group. The eight phthalate metabolites were not correlated to clinical pregnancy rate, live birth rate, or early miscarriage rate. There was no significant association of di (2-ethylhexyl) phthalate (DEHP) metabolites observed with any clinical outcomes in the total population. After excluding male infertility, mono (2-ethyl-5-hydroxyhexyl) phthalate (MEHHP) in medium-concentration group turned to be associated with a higher number of retrieved oocytes (overall P-trend = 0.04), whereas mono (2-ethyl-5-oxohexyl) phthalate (MEOHP) in medium-concentration group was associated with a lower odds of normal fertilization compared to low-concentration group (overall P-trend = 0.02).Urinary MBP concentration was much higher compared to other phthalate metabolites in this cohort of Chinese IVF/ICSI women, and also higher than it was reported by studies in other countries. MBP showed adverse impacts on fertilization. MMP and MEP could affect blastocyst quality, but not embryo quality on day 3. DEHP metabolites didn't show consistent reproductive toxicities as demonstrated in previous studies.

Exposure to phthalates has been demonstrated to cause reproductive toxicity in animals, but evidence of the association between phthalates and markers of male reproductive function have been inconsistent in human studies. Here we examined whether environmental exposure to phthalates contributes to altered reproductive hormone levels, sperm DNA damage and spermatozoa apoptosis in a Chinese population. From March to June 2013, repeated urine samples collected from male partners of couples attending an infertility clinic in Wuhan, China were analyzed for 8 phthalate metabolites. Associations of the urinary phthalate metabolites with serum hormone levels (n=483), sperm DNA damage parameters (n=509) and spermatozoa apoptosis measures (n=467) were assessed using multivariable linear regression models. After adjusting for potential confounders, mono-(2-ethylhexyl) phthalate (MEHP), a metabolite of di-(2-ethylhexyl)-phthalate (DEHP), was inversely associated with serum levels of estradiol, total testosterone (T) and free T (all P for trend

Evidence from toxicological studies has demonstrated that phthalates can lead to reduced fertility through effects on folliculogenesis, oocyte maturation and embryonic development, but human data are limited. Concentrations of eight phthalate metabolites in 110 follicular fluid (FF) and urine samples collected from 112 women attending an infertility clinic in Wuhan, China were quantified, and correlations between paired matrices were explored. Associations between metabolite concentrations and in vitro fertilization (IVF) parameters were evaluated with multivariable models. Six metabolites were detected in >72.73% of the FF samples. MEHP and MBP were the dominant metabolites with a median level of 2.80 and 2.05ng/mL, respectively. Significant correlations between the two matrices, urine and FF, were found for MEP (rs=0.44), and MBP (rs=0.22). FF and urinary metabolite concentrations were not associated with any IVF parameters. However, given the prevalence of phthalates exposure, further work is needed to elucidate the potential hazard on female reproduction.

Exposure to phthalates has been found to have adverse effects on male reproductive function in animals. However, the findings from human studies are inconsistent. Here we examined the associations of phthalate exposure with semen quality and reproductive hormones in a Chinese population using phthalate metabolite concentrations measured in semen as biomarkers. Semen (n = 687) and blood samples (n = 342) were collected from the male partners of sub-fertile couples who presented to the Reproductive Center of Tongji Hospital in Wuhan, China. Semen quality parameters and serum reproductive hormone levels were determined. Semen concentrations of 8 phthalate metabolites were assessed using high-performance liquid chromatography and tandem mass spectrometry. Associations of the semen phthalate metabolites with semen quality parameters and serum reproductive hormones were assessed using confounder-adjusted linear and logistic regression models. Semen phthalate metabolites were significantly associated with decreases in semen volume [mono-n-butyl phthalate (MBP), mono-(2-ethylhexyl) phthalate (MEHP), mono(2-ethyl-5-hydroxyhexyl) phthalate (MEHHP), mono(2-ethyl-5-oxohexyl) phthalate (MEOHP)], sperm curvilinear velocity [monobenzyl phthalate (MBzP), MEHP, the percentage of di-(2-ethylhexyl)-phthalate metabolites excreted as MEHP (%MEHP)], and straight-line velocity (MBzP, MEHP, %MEHP), and also associated with an increased percentage of abnormal heads and tails (MBzP) (all p for trend

Exposure to phthalates during gestation has been associated with decreased birth weight among offspring. However, the associations between preconception phthalate metabolites in follicular fluid (FF) and offspring birth weight among women undergoing in vitro fertilization (IVF) remain largely unknown. Here, we explored the associations between preconception phthalate metabolite concentrations in FF and the birth weights of singletons and twins among women undergoing IVF. We recruited 147 female participants who gave birth to 90 singletons and 57 twin infants at the Reproductive Medicine Center, Tongji Hospital, Wuhan, between November and December 2016. Each participant was asked to complete a questionnaire at the time of recruitment and provide a FF sample on the day of oocyte retrieval. The FF concentrations of eight phthalate metabolites were determined using high-performance liquid chromatography and tandem mass spectrometry. Birth outcomes were abstracted from medical records. The associations between phthalate metabolites in FF and birth weights of the singleton and twin groups were evaluated using generalized linear models (GLMs). We found that birth weight in the twin group had negative dose-response associations with maternal preconception monobenzyl phthalate (MBzP) and mono(2-ethyl-5-oxohexyl) phthalate (MEOHP) in FF (both P for trends0.05) and that birth weight in the singleton group had positive dose-response associations with monoethyl phthalate (MEP) and mono(2-ethyl-5 hydroxyhexyl) phthalate (MEHHP) in FF (both P for trends0.05). These associations persisted when we modeled as continuous variables. In addition, we observed male-specific association between decreased twin birth weight and MEOHP and MBzP and a female-specific associations between increased singleton birth weight and MEP, MEHHP and the sum of di(2-ethylhexyl) phthalate (∑DEHP) (all P for interactions0.05). Preconception phthalate metabolites in maternal FF may affect the birth weights of both singleton and twin newborns.

Epidemiological studies have suggested that phthalate exposures were associated with adverse reproductive outcomes, such as low oocyte yield and reduced embryo quality, but the underlying mechanisms remained largely unknown. Oxidative stress may be a potential contributor to phthalate-induced adverse reproductive outcomes. To explore the associations between phthalate exposure and levels of oxidative stress among women seeking in vitro fertilization (IVF), we measured the concentrations of eight phthalate metabolites and biomarkers of oxidative stress, including 8-hydroxy-2'-deoxyguanosine (8-OHdG), malondialdehyde (MDA), and total antioxidant capacity (TAC), in follicular fluid (FF) samples collected from 332 women. Multivariable linear regression models were used to assess the associations between phthalate metabolites and biomarkers of oxidative stress in FF samples. The concentrations of most tested phthalate metabolites were positively associated with the 8-OHdG levels. The metabolites of di-(2-ethylhexyl) phthalate (DEHP) were inversely associated with the TAC levels. The concentrations of mono(2-ethyl-5-hydroxyhexyl) phthalate (MEHHP) and mono(2-ethyl-5-oxohexyl) phthalate (MEOHP) were positively associated with the MDA levels. Our results revealed a positive association between phthalate metabolites and oxidative stress levels in FF, while more toxicological and epidemiological studies are required to confirm our findings.

Background Phthalate metabolites in follicular fluid (FF) may negatively affect normal folliculogenesis; however, the predictors of phthalate metabolite concentrations in urine and FF and relationships between urine and FF phthalate metabolite concentrations among women undergoing in vitro fertilization (IVF) are poorly understood. Objective To investigate predictors of phthalate metabolites in urine and FF and correlations between urine and FF phthalate metabolite concentrations among women undergoing IVF. Method We recruited 305 women seeking infertility treatment at a reproductive center in Wuhan, China, from October to November 2016. Information regarding demographic characteristics, personal care product use and plastic material contact was obtained through direct interviews. Concentrations of 8 phthalate metabolites in urine and FF samples were measured using high-performance liquid chromatography and tandem mass spectrometry. Associations regarding metabolite concentrations in urine and FF samples were analysed by Spearman's correlation and linear regression. Generalized linear regression was used to examine potential predictors of phthalate metabolite concentrations in urine and FF. Results Weak to moderate associations between urine and FF samples were found for monoethyl phthalate (MEP) and mono(2-ethyl-5-oxohexyl) phthalate (MEOHP) (correlation coefficient: MEP, 0.350; MEOHP, 0.377); no associations were observed for other metabolites. The predictive powers of urinary metabolite concentrations in determining FF metabolite concentrations were uniformly low, with R2 ≤ 0.113. Body mass index (BMI) and educational level were inversely associated with the urinary concentrations of certain metabolites. Higher household income, intake of bottled drinks within 48 h, and use of shower gel and soap were frequently associated with higher urinary metabolite concentrations. BMI, higher household income and use of disposable plastic cups within 48 h were associated with higher metabolite concentrations in FF. Conclusion Phthalate metabolite concentrations in urine and FF vary according to sociodemographic characteristics and lifestyle factors. Phthalate metabolite concentrations in urine may not be appropriate for estimating ovary phthalate exposure.

Three metal-organic frameworks, [Zn3(bdc)3(DMA)2] (1) (H2bdc = terephthalic acid; DMA = N,N-dimethylacetamide), [Zn3(bdc)3(DMA)(DMPU)] (2) (DMPU = 1,3-dimethylpropyleneurea), and [Zn3(bdc)4(Hdma)2] (3) [Hdma = protonated dimethylamine (Me2NH2)] were synthesized by using different solvents. The solvents determine the framework architectures range from layer to microporous pillared-layer framework. The microporous framework has 8-connected bcg topology and shows selective sorption ability for gas light hydrocarbons.

Exposure to phthalates has been demonstrated to have adverse effects on male reproduction in animal studies, but findings in human studies have been inconsistent. We recruited 1040 men from the Reproductive Center of Tongji Hospital in Wuhan, China from March to June 2013. Each man provided one semen sample and two urine samples. Semen quality parameters and the urinary concentrations of eight phthalate metabolites were determined. After multivariable adjustments, the urinary concentrations of monobutyl phthalate (MBP) were found to be positively associated with the below-reference sperm concentration and total sperm count, and the odds ratios (ORs) comparing extreme MBP quartiles were 2.01 (95% CI: 1.07, 3.79; p for trend=0.06) and 1.80 (95% CI: 1.05, 3.08; p for trend=0.02), respectively. The associations were confirmed by multivariable linear regression analysis, which showed that the MBP concentration was significantly associated with decreasing trends in the sperm concentration and total sperm count (both p for trend

Background Phthalates, a class of endocrine disruptors, have been demonstrated to accelerate loss of ovarian follicle pool via disrupting folliculogenesis, and lead to diminished ovarian reserve. However, human data are limited. Here, we aimed to examine whether urinary phthalate metabolites are correlated with markers of ovarian reserve among women attending a fertility clinic. Methods We measured eight phthalate metabolites in urine samples collected from 415 women seeking infertility treatment at the Reproductive Medicine Center of Tongji Hospital, Wuhan, China. Data on measures of ovarian reserve, as indicated by serum anti-Müllerian hormone (AMH) and inhibin B (INHB) levels, were retrieved retrospectively through electronic medical charts. Multivariate linear models were performed to estimate the associations of urinary phthalate metabolites and serum AMH and INHB. We further explored the potential nonlinearity of the relationships with restricted cubic spline analysis. Results Overall, we found largely null associations between urinary phthalate metabolites and serum AMH. The multivariable adjusted differences in serum INHB levels comparing the highest quartile of urinary MEHP to the lowest were − 18.29% (95% CI: − 31.89%, − 1.98%; P-trend = 0.04). Women in the second to fourth quartiles of MEOHP had a significant decrease of − 23.74% (95% CI: −35.85%, − 9.24%), − 19.91% (95% CI: −33.30%, − 3.82%) and − 20.23% (95% CI: −34.43%, − 2.96%), respectively, in INHB levels compared to the first quartile. In the spline analysis, we identified a nonlinear relationship between MEOHP exposure and serum INHB. Conclusions We provided evidence for a negative association between urinary concentrations of certain phthalate metabolites and serum INHB levels, suggesting an adverse effect of phthalates exposure on growing antral follicles. Whether phthalates exposure at environmentally level will pose a risk for ovarian reserve needs further investigation. Electronic supplementary material The online version of this article (10.1186/s12978-018-0469-8) contains supplementary material, which is available to authorized users.

Submicron structures of NiII/CoII-based coordination polymers (CPs) [Ni(L1)(mip)·H2O]n (1) and {[Co(L2)(mip)]·0·.5H2O}n (2) (L1 = 1,6-bis(5,6-dimethylbenzimidazole)hexane, L2 = 1,6-bis(benzimidazole)hexane, H2mip = 5-methylisophthalic acid) were obtained by ultrasonic irradiation and structurally characterized by elemental analysis, powder X-ray diffraction and scanning electron microscopy. Structural analysis show that two CPs feature uninodal 3-connected 2D hcb layer, whilst CP 2 is further extended into a 3D complicated supramolecular network by C14–H14⋯O2 hydrogen bonds. Ultrasonic time and power influencing morphology of sub-micron sized CPs, were also discussed. Besides that, thermal stability, luminescence, electrochemical properties and photocatalytic activity of sub-micron sized 1 and 2 were presented in detail. Moreover, sub-micron sized 1 manifests the higher photocatalytic activity than sub-micron sized 2 for decomposition of methylene blue (MB) under UV irradiation.

On account of the broad utilities of organophosphorus compounds, the development of highly efficient and concise phosphination methods is significantly important and urgent. Herein, we disclose a novel method for the synthesis of phosphorylated heterocycles: versatile intermediate propargylamines serving as a new type of radical acceptors incorporated in P-radicals via a photocatalytic strategy. This reaction proceeds through a cascade phosphinoylation/cyclization/oxidation/aromatization pathway using readily available starting materials under mild conditions of light with excellent atom economy, catalyzed by AgOAc or fac-Ir(ppy)3. One of the phosphorylated quinolines was selected, as an example, as an electron-transporting material for fabricating phosphorescence organic light-emitting diodes displaying excellent electroluminescence performances with a maximum external quantum efficiency of 21.9% with negligible efficiency roll-off ratios.

Mobile glucose-pesticide conjugates in the phloem are often restricted by decreases in biological activity. However, plants can bioactivate endogenous glucosides, which are assumed as able to bioactivate exogenous conjugates. In this study, four glycosidic bonds (O-, S-, N-, and C-glycosidic bonds) of glucose-pesticide conjugates were designed and synthesized, and then metabolism assays were carried out in vitro and in vivo. Results showed that β-glucosidases played a role in the hydrolysis of O-glycosidic bond conjugates in Ricinus communis L. The liberated aglycons possessed insecticidal activities against Plutella xylostella L. and Spodoptera litura F. These results could help establish methods of circumventing the mutual exclusivity of phloem mobility and biological activity by hydrolyzing endogenous β-glucosidases.

A malononitrile derivative, 6-Amino-5,5,7-tricyano-3,3a,4,5-tetrahydro-2H-indene-4- Spirocyclopentane was synthesized in ethanol with malononitrile and cyclopentanone as raw materials. It was characterized by X-ray single crystal diffraction analysis.The crystal of the title complex belongs to Triclinic, P21/c space group with a=6.4687(13)Å, b=8.9901(18)Å, c=12.004(2)Å, α=93.55(3) deg, β=91.86(3) deg, γ=92.25(3) deg. V=695.8(2)Å3, Z=2, F(000)=278 and final R1=0.0524,WR2=0.1497. X-ray analysis reveals that The cyclohexene ring has a distorted half-chair conformation and the cyclopentene and cyclopentane rings adopt envelope conformations. The dihedral angles between planar fragments of the cyclohexene and cyclopentene rings and of the cyclohexene and cyclopentane rings are 10.67 (7) and 87.33 (3)°, respectively. In the crystal, intermolecular N-HN hydrogen bonds link the molecules into infinite chains running in the [10] direction.

Super-hydrophobic silicone rubber (SIR) was fabricated by hot-pressing template method, and its surface water droplet contact angle reached 153.5° and sliding angle 8°. The observation of microstructure showed that there were plenty micrometer-scale papillas and nanometer-scale particles on its surface, the mechanism of super-hydrophobicity caused by this micro-nano hierarchical structure was discussed. In order to study the influence of super-hydrophobicity on the electric field distribution, two-dimensional simulation was carried out in software platform ANSYS. The influence of contact angle, volume and location was discussed. The simulation results indicated that super-hydrophobic surface had a better effect of electric field shielding. The flashover experiments (for both single and double droplets on different SIR surface) were carried out and showed that the flashover voltage of super-hydrophobic SIR with droplets on its surface was higher than that of ordinary SIR, which confirmed the simulation.

1N-Acetyl-3-phenyl-5-(3,4,5-trimethoxyl-phenyl)-2-pyrazoline has been synthesized and the crystal structure has been determined by means of single-crystal X-ray diffraction. The pyrazolinyl ring and the phenyl rings at 3 positions of the pyrazoline are almost coplane , with their dihedral angle to be 6.63(2) o. Phenyl ring at 5 positions and pyrazolinyl ring are almost perpendicular, the dihedral angle is 78.03(3) o.

3-(4-Fluorophenyl)-1,5-bis (pyridyl)-1,5-pentanedione has been synthesized and the crystal structure has been determined by means of single-crystal X-ray diffraction. In the moleculer structure,the phenyl ring and the two pyridine rings are almost perpendicular , and two pyridine rings are closed to coplane.

1-Phenyl-3-(4-nitrophenyl)-5-(2-thienyl)-2-pyrazoline was synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. UV-Vis spectra and fluorescence spectra were measured. Density functional theory calculations on the structure of the title compound were performed at the B3LYP/6-311G** level of theory. NPA atomic charge distributions indicate that, although the S atom in the thienyl ring loses coordination capacity, the title compound still may be used as a potential multi-dentate ligand to coordinate with metallic ions. The calculation of the second order optical nonlinearity was carried out. Natural bond orbital analyses indicate that the electronic absorption bands are mainly derived from the contribution of n → π* and π → π* transitions. Fluorescence spectra determination shows that the title compound is a potential orange-light emitting material.

The reaction of copper 2,2-dichloroacetic acid, heterocyclic diimine (bipy) ligands under mildconditions affords one novel supramolecular complexes, [Cu (bipy)2[[H22 (bipy=2,2-bipyridine X=dichloroacetic acid). The compounds were constituted through hydrogen bonding and ππ interactions between the heterocyclic rings.

The reaction of copper 2,2-dichloroacetic acid and heterocyclic diimine (benz) ligands under mildconditions affords one supramolecular complexes, [Cu (bipy)2[[H22 (bipy=benz, X=dichloroacetic acid). The compounds involves a regular square based pyramidal one and were constituted through hydrogen bonding and ππ interactions between the heterocyclic rings.

4,4'-(o-benzonitrile) divinylbenzene compound was synthesized by Wittig-Homer reaction. Its crystal structure was determined by X-ray diffraction method. The fluorescence properties of the title compound in acetone solvents were investigated.

biphenyl Derivative was synthesized by Wittig-Homer reaction. Its crystal structure was determined by X-ray diffraction method. The fluorescence properties of the title compound in solvents were investigated.

Toxicological studies showed that trihalomethanes (THMs), the most abundant classes of disinfection by-products (DBPs) in drinking water, impaired male reproductive health, but epidemiological evidence is limited and inconsistent. This study aimed to examine the associations of baseline blood THMs with semen parameters and serum total testosterone in a Chinese population. We recruited 401 men seeking semen examination from the Reproductive Center of Tongji Hospital in Wuhan, China between April 2011 and May 2012. Baseline blood concentrations of THMs, including chloroform (TCM), bromodichloromethane (BDCM), dibromochloromethane (DBCM), and bromoform (TBM) were measured using SPME-GC/ECD method. Semen quality and serum total testosterone were analyzed. Multivariable linear regressions were used to assess the associations of baseline blood THM concentrations with semen parameters and serum total testosterone levels. We found that baseline blood THM concentrations were not associated with decrements in sperm motility, sperm straight-line and curvilinear velocity. However, moderate levels of BDCM (β=−0.13 million; 95% CI: −0.22, −0.03) and DBCM (β=−4.74%; 95% CI: −8.07, −1.42) were associated with decreased sperm count and declined sperm linearity compared with low levels, respectively. Suggestive dose–response relationships were also observed between elevated blood TCM or ∑ THMs (sum of TCM, BDCM, DBCM and TBM) concentration and decreased sperm concentration (both p for trend=0.07), and between elevated blood DBCM concentration and decreased serum total testosterone (p for trend=0.07). Our results indicate that elevated THM exposure may lead to decreased sperm concentration and serum total testosterone. However, the effects of THM exposure on male reproductive health still warrant further studies in humans. Keywords: Blood trihalomethanes, Disinfection by-products, Human, Male reproductive health, Semen quality, Testosterone

The 3-(2,3,4-trimethoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione 1 and 3-(3,4,5-trimethoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione 2 have been synthesized and characterized by X-ray single-crystal diffraction, IR and UV–Vis. Compound 1 belongs to the orthorhombic system, space group Pna21 with a = 10.182(2) A, b = 11.828(2) A, c = 14.356(3) A, α = 90°, β = 90°, γ = 90°, V = 1,729.0(6) A3, Z = 4. Compound 2 is of Triclinic system, space group P-1 with a = 8.7807(18) A, b = 9.4383(19) A, c = 11.450(2) A, α = 98.64(3)°, β = 103.28(3)°, γ = 99.44(3)°, V = 893.4(3) A3, Z = 2. It is very interesting that there are only C–H···O and C–H···π intermolecular interaction in the 1, while there are still π···π stacking interactions except for C–H···O and C–H···π intermolecular interaction in the structure of 2. Two new spiro compounds, 3-(2,3,4-trimethoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione 1 and 3-(3,4,5-trimethoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione 2 have been synthesized and characterized by X-ray single-crystal diffraction, IR and UV–Vis.

Phosphate-fluorocarbon acrylate anticorrosion emulsion was successfully synthesized with hexafluorobutyl methacrylate(HFMA), methyl methacrylate(MMA), butyl acrylate(BA), α-methacrylic acid(MAA) as copolymerization monomer and monophosphoric acid allyloxy nonylphenoxy poly(ethyleneoxy)(10) ether(ANPEO10-P1) as phosphate reactive emulsifier. The surface properties and anticorrosion properties were tested by scanning electron microscope and energy dispersive spectroscopy (SEM-EDS), contact angle (CA), water absorption, electrochemical impedance spectroscopy (EIS), flash-rust resistant and adhesion, respectively. The structure and morphology of emulsion and copolymer were characterized by Fourier transform infrared spectroscopy (FT-IR), transmission electron microscope (TEM) and particle size analysis. The anticorrosion mechanism of acrylate emulsion containing fluorine atom and phosphate group was discussed. The results showed that fluorine component migrated to the film-air interface during film formation ...

A novel chained Cu(II) complex was synthesized from trichloroacetato copper(II) and pyridine in ethanol solvent, and characterized by elemental analysis and infrared (IR) spectroscopy. The special crystal structure of the Cu(II) complex was determined by X-ray single-crystal diffraction. The results indicate that a chained structure of the Cu(II) complex formed through intermolecular hydrogen bonds. Cu(CCl3COO)2(C5H5N)2(H2O) was monoclinic, with unit cell P21/c and cell parameters as follows: a = 14.389(3) A, b = 7.1911(14) A, c = 23.107(8) A, V = 2,257.5(10) A3, Z = 4, M r = 564.51, D c = 1.661 mg/m3, T = 293(2) K, F(000) = 1,124, μ(Mo Kα) = 1.704 mm−1, R = 0.0984, and ωR = 0.2791. The electrochemical behavior of the Cu(II) complex on a glassy carbon working electrode determined by cyclic voltammetry showed the electrochemical activity of the title compound at 0.2 to −0.3 V (versus SCE) in NH3–NH4Cl buffer solution (pH 9.2), and the redox peak current of the complex had a good linear relationship with the square root of the scan rate in the range 0.02–0.2 V/s.

Acute myeloid leukemia (AML) is the most common type of adult leukemia for which cytosine arabinoside-based chemotherapy is the main treatment. Single nucleotide polymorphisms within the nucleotide excision repair pathway may alter the susceptibility of leukemia cells to chemotherapy. We investigated the roles of six single nucleotide polymorphisms (ERCC5rs76871136, ERCC5rs77569659, ERCC5rs873601, XPCrs2228000, XPCrs2228001, and XPCrs1870134) in the nucleotide excision repair pathway in influencing the outcome of patients with AML treated with cytosine arabinoside-based chemotherapy. One hundred fifty-one patients with AML in a Chinese population were enrolled in this study. Genotypes were determined by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. We found that the distribution of three genotypes of XPCrs1870134 significantly differed in the cytogenetic risk groups (P = 0.04). A statistically significant correlation between polymorphisms of XPCrs2228001 and gender was found among the gender groups (P = 0.03). Moreover, patients carrying at least one variant allele (XPCrs2228001AA+CC) were more likely to respond better than those who did not carry a variant. However, no significant association was detected between polymorphisms in ERCC5 and treatment response. These findings suggest that XPC polymorphisms are important markers for the outcome of patients with AML in the Chinese population.

The effect of non-thermal microwave on purifying natural graphite was studied. It was found that with existence of microwave field, the carbon content of the product was improved from 95.840% to 99.125% and the result of the purifying was affected by the power of the microwave，the reaction pressure and the reaction time. Add 5% (volume fraction) of hydrofluoric acid in the mixed acid system can improve the carbon content of greater than 99.9% of the natural flake graphite. The use of mixed acid of microwave-assisted purification of natural flake graphite is a better way of producing high-purity graphite.

To obtain a good Cherry preservative, the author prepared acetic acid Chitosan and metal ion complexes with solid-liquid reaction. Besides, the Cherry preservative was prepared by modified Chitosan materials. It was obtained that the optimal concentration of chitosen acetate for fresh cherries is 20g/l by studying effect of different concentrations of preservative on the storage of Cherry and its preservation time was 24 days. It also found that it owned better preservation effect with adding metal ion and Zn compound preservative had the best preservation performance among all experimental ion compound preservation. The experiment results showed that the preservative which prepared by Chitosan had excellence properties of extending Cherries storage periods、lowing the loss of Cherry fruit during storage、slowing the forming of Cherry soluble solids and the decreasing of titratable acid and vitamine C, but also reducing Cherry metabolism.

Polyacrylate latex containing fluorine and silicon was successfully synthesized by semi-continuous seed emulsion polymerization, using organic silicon(OSi) monomer, fluorocarbon(FC), methacrylic acid(MAA), and butyl acrylate(BA) as raw materials. Transmission electron microscope(TEM) characterization indicated that the latex particles were form uniform analogous core-shell structure. Dynamic light scattering(DLS) show a narrow size distribution. The results of X-ray photoelectron spectroscopy(XPS) revealed the fluorine and silicon transfer to the film-air interface. The reaction was evaluated using fourier transform infrared(FT-IR) spectrum. The thermal stability of the latex films which analysed by thermogravimetric(TG) was improved due to the join of OSi and FC.

Self-stratifying polyacrylate latex containing silicon was synthesized via semi-continuous emulsion polymerization, using organic silicon and acrylate as raw materials. Transmission electron microscope(TEM) characterization indicated that the particles were form uniform analogous core-shell structure and dynamic light scattering(DLS) analysis possessed narrow size distributions. The results of X-ray photoelectron spectroscopy(XPS) proved the propensity of silicon enrichment at film-air interface, which revealed self-stratifying phenomenon. The thermal stability of the latex films determined by thermogravimetric analysis(TGA) was increased 24 °C as the join of organic silicon.

Fluorocarbon acrylic emulsion with core-shell structure modified by versatate carbon were prepared with acrylic acid, versatate carbon monomer(VC), fluoride carbon monomer(FC) and methyl methacrylate as raw materials. The influence of the amount of FC and VC, the core/shell mass ratio on emulsion polymerization were discussed. The structure and properties were characterized by fouriertransform infrared spectrum(FT-IR), transmission electron microscopy(TEM), particle size analysis. The results showed that the emulsion had good properties while w(FC)=8%, w(VC)=6%, the ratio of the soft to hard monomer is 1:3 in core and the soft to hard monomer is 2:1 in shell, the mass ratio of the monomer in core to in shell is 1:1. The conversion of polymerization is 96.5%, the size of latex particle is 100nm, water contact angle of the emulsion film is 100.5°, water-absorption ration of the film is 6.5%. The versatate improved the property of fluorocarbon acrylic emulsion.

Water-based Polyaniline(PANI) emulsion and Fluorocarbon(FC) emulsion were synthesized by emulsion polymerization method. The doped polyanline were characterized by Transmission electron microscope(TEM) and X-ray diffraction(XRD). The results showed the PANI has bar-like shape and local crystallinity. The composite anticorrosion coatings of PANI emulsion and FC emulsion were prepared by mixture in aqueous medium and used for corrosion protection of mild steel. The corrosion protection property of PANI/FC coatings on mild steel was investigated by electrochemical impedance spectroscopy(EIS) and open circuit potential(OCP) technique in 3.5wt%NaCl aqueous solution. The results indicated that the water-based PANI/FC coatings could offer high protection because the impedance values and corrosion potential remained at higher. Scanning electron microscope(SEM) showed that the oxidation film formed on the metal surface and prevent corrosion effectively due to the passive effect of PANI pigment. The anticorrosion coatings are environmental friendly because of water dispersion medium.

A new decavanadate metal complex [Fe(phen)3]2·[V10O28]·15H2O (phen = 1,10-phenanthroline) has been synthesized from a hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The crystal structure analysis reveals that the polyoxoanions are decorated with the [Fe(phen)3]3+ cations, and that the water molecules play the bridge role on the packing modes. They are further contacted to form supramolecular networks through extensive hydrogen bonding. A new decavanadate metal complex [Fe(phen)3]2·[V10O28]·15H2O (phen = 1,10-phenanthroline) has been synthesized from a hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The crystal structure analysis reveals that the polyoxoanions are decorated with the [Fe(phen)3]3+ cations, and that the water molecules play the bridge role on the packing modes. They are further contacted to form supramolecular networks through extensive hydrogen bonding.