Publications by authors named "Qin Wu"

427 Publications

Microbiological inhibition-based method for screening and identifying of antibiotic residues in milk, chicken egg and honey.

Food Chem 2021 May 12;363:130074. Epub 2021 May 12.

National Reference Laboratory of Veterinary Drug Residues and MOA Key Laboratory for Detection of Veterinary Drug Residues, Huazhong Agricultural University, Wuhan, Hubei 430070, China; MOA Laboratory for Risk Assessment of Quality and Safety of Livestock and Poultry Products, Huazhong Agricultural University, Wuhan, Hubei 430070, China. Electronic address:

This present study was designed to develop a novel microbiological inhibition-based method for the rapid screening and identification of antibiotic residues in milk, chicken egg and honey. Geobacillus stearothermophilus C953 was used as test bacterium in the detection system of this study. The optimization of nutrients and other supplements were performed to promote the growth of test bacterium and thus shorten the detection time. Furthermore, the synergetic agents were added to improve the sensitivity of test bacterium to more antibiotics. Additionally, confirmatory solutions such as β-lactamase, p-aminobenzoic acid, MgSO and cysteine were added to classify and identify different kinds of antibiotics. We observed that the LOD of this detection system was at or close to maximum residue limits established by EU for β-lactams, aminoglycosides, tetracyclines, sulfonamides, macrolides and quinolones in milk. The LOD of different kinds of antibiotics in chicken egg was less than or similar to the MRL and the LOD of Premi®test (except sulfonamides). For honey, there are no MRL, the LOD was less than or similar to the recommended concentration and the LOD of Premi®test. Noteworthy, the detection system also can identify these six kinds of antibiotics in milk, chicken egg and honey, and there were satisfactory results of specificity experiments and confirmation experiments by LC-MS/MS. Accordingly, the present study provides a reliable preliminary characterization of antibiotic residues in animal foods and improves the detection efficiency for the following chemical confirmation experiments by HPLC, LC-MS/MS, immunological and receptor-based tests.
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http://dx.doi.org/10.1016/j.foodchem.2021.130074DOI Listing
May 2021

Incidence and risk factors of congenital heart disease in Qingdao: a prospective cohort study.

BMC Public Health 2021 06 2;21(1):1044. Epub 2021 Jun 2.

Qingdao Women and Children's Hospital, Qingdao University, Qingdao, Shandong Province, No.6 Tongfu Road, Qingdao, 266000, China.

Background: Many studies have been conducted to assess the incidence of congenital heart disease (CHD). However, results were greatly inconsistent among these studies with a broad range of findings.

Methods: A prospective census-based cohort study was conducted in Qingdao, China, from August 1, 2018 to April 30, 2019. All of the local registered pregnant women were continuously investigated and followed from 15 to 20 weeks of gestation to delivery, tracking the CHD cases in both the fetal and neonatal stages. A logistic regression model was applied to assess the association between CHD and possible risk factors.

Results: The positive rate of prenatal CHD screening was 14.36 per 1000 fetuses and the incidence of CHD was 9.38 per 1000 live births. Results from logistic regression indicated that, living in the countryside (odds ratio, (OR): 0.771; 95% confidence interval, (CI): 0.628-0.946) and having a childbearing history (OR: 0.802; 95%CI: 0.676-0.951) were negatively associated with CHD. However, twin pregnancy (OR: 1.957, 95% CI: 1.245-3.076), illness in the first trimester (OR: 1.306; 95% CI: 1.048-1.628), a family history of CHD (OR: 7.156; 95% CI: 3.293-15.552), and having a child with a birth defect (OR: 2.086; 95% CI: 1.167-3.731) were positively associated with CHD.

Conclusion: CHD is a serious health problem in Qingdao. The CHD incidence found in this study was similar to existing research. The positive rate of prenatal CHD screening was higher than the incidence of neonatal CHD. Moreover, CHD risk factors were identified in our study, and our findings may have great implications for formation CHD intervention strategies.
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http://dx.doi.org/10.1186/s12889-021-11034-xDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8173734PMC
June 2021

Pomegranate-like Core-Shell [email protected] as a High Activity, Good Stability, Rapid Magnetic Separation, and Multiple Recyclability Nanocatalyst for DCPD Hydrogenation.

ACS Omega 2021 May 21;6(17):11570-11584. Epub 2021 Apr 21.

Beijing Key Laboratory for Chemical Power Source and Green Catalysis, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, 100081 Beijing, China.

A novel pomegranate-like [email protected] nanocatalyst was successfully synthesized via a modified Stöber method, and its application in the hydrogenation of dicyclopentadiene (DCPD) was firstly reported. The [email protected] possessed a high specific area (658 m/g) and mesoporous structure (1.7-3.3 nm). The reaction of hydrogenation of DCPD to -tetrahydrodicyclopentadiene (-THDCPD) was used to evaluate the catalytic performance of the prepared materials. The distinctive pomegranate-like [email protected] core-shell nanocomposite exhibited superior catalytic activity (TOF = 106.0 h and STY = 112.7 g·L·h) and selectivity (98.9%) than conventional Ni-based catalysts (experimental conditions: Ni/DCPD/cyclohexane = 1/100/1000 (w/w), 150 °C, and 2.5 MPa). Moreover, the [email protected] nanocatalyst could be rapidly and conveniently recycled by magnetic separation without appreciable loss. The [email protected] also exhibited excellent thermal stability (≥750 °C) and good recycling performance (without an activity and selectivity decrease in four runs). The superior application performance of the [email protected] nanocatalyst was mainly owing to its unique pomegranate-like structure and core-shell synergistic confinement effect.
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http://dx.doi.org/10.1021/acsomega.1c00779DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8153983PMC
May 2021

Tunable high-order sideband generation in a coupled double-cavity optomechanical system.

Opt Express 2021 Apr;29(8):12266-12277

Tunable high-order sideband generation has important applications in the realization of the optical frequency comb with a varying spectral region (corresponding to the sideband range) and frequency resolution (corresponding to the sideband interval). In this paper, we propose a theoretical scheme to tune both the range and the interval of the high-order sidebands in a coupled double-cavity optomechanical system, which consists of an optomechanical cavity and an auxiliary cavity. Our proposal can be realized by driving the optomechanical cavity with a control field and a probe field simultaneously, driving the auxiliary cavity with a pump field. Furthermore, we assume that the frequency detuning between the control field and the probe field (the pump field) equals ω/n (ω/m), where ω is the mechanical frequency, m and n are integers. When n = m = 1, we find that the sideband range can be effectively enlarged by increasing the pump amplitude or the photon-hopping coupling rate, or by decreasing the auxiliary cavity damping rate. When n = 1 and m > 1, the output spectrum consists of a series of integer-order sidebands, fraction-order sidebands, and the sum and difference sidebands, and the sideband interval becomes ω/m and can be diminished by simultaneously increasing m and the pump amplitude.
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http://dx.doi.org/10.1364/OE.418033DOI Listing
April 2021

Silver nanoparticles are effective in controlling microsporidia.

Mater Sci Eng C Mater Biol Appl 2021 Jun 17;125:112106. Epub 2021 Apr 17.

State Key Laboratory of Silkworm Genome Biology, Southwest University, Chongqing 400716, China; Key Laboratory of Sericultural Biology and Genetic Breeding, Ministry of Agriculture and Rural Affairs, Southwest University, Chongqing 400716, China. Electronic address:

Many approaches and technologies have been developed as treatments for microsporidian, infections but effective, broad-spectrum, and sustainable therapeutic approaches have not been found. Silver nanoparticles (AgNPs) have antimicrobial activity and are widely used against many different pathogens. AgNPs provide an opportunity to develop formulations that will control microsporidia. In this study, we synthesized AgNPs via a chemical reduction method and evaluated their formation, morphology, and stability using transmission electron microscopy (TEM) and ultraviolet spectroscopy analysis. We verified that AgNPs could disrupt the spore cell membrane and spore germination of microsporidia Nosema bombycis. This resulted in the release of microsporidia nucleic acids, proteins, and respiratory chain enzymes. The anti-microsporidia activity of AgNPs was studied by measuring the silkworm larvae survival rate and spore genome replication after microsporidia infection. AgNPs have anti-microsporidian activity and could be effective components of formulations for treating or preventing microsporidia infection.
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http://dx.doi.org/10.1016/j.msec.2021.112106DOI Listing
June 2021

Clinical value for the detection of fetal chromosomal deletions/duplications by noninvasive prenatal testing in clinical practice.

Mol Genet Genomic Med 2021 May 5:e1687. Epub 2021 May 5.

Center for Genetic Medicine, Xuzhou Maternity and Child Health Care Hospital Affiliated to Xuzhou Medical University, Xuzhou, China.

Objective: This study was to report the experiences on the clinical value of noninvasive prenatal testing (NIPT) for the screening of fetal chromosomal deletions/duplications.

Methods: We performed a retrospective analysis of a cohort of 20,439 pregnancies undergoing NIPT from March 2017 to September 2020 at a single center. Patients with positive NIPT results for fetal chromosomal deletions or duplications had options of invasive diagnostic testing or no further testing. The data were complied from all cases with positive NIPT results for chromosomal deletions/duplications. The positive predictive value (PPV) was calculated from tabulated data.

Results: In this cohort, positive NIPT results for fetal chromosomal deletions/duplications were found in 60 pregnant women. Of the positive samples, further invasive testing was performed in 39 cases, in which 9 cases were found to be true positive. The overall PPV for chromosomal deletions/duplications was 23.1%. In addition, fetal structural anomaly was found by ultrasound examination in three cases, in which the chromosomal deletions/duplications of three cases were not verified. Moreover, an unexpected pathogenic 8p23.3 deletion was identified by invasive testing in 1 fetus with a false positive NIPT screen for 3q27.3q29 duplication.

Conclusions: In summary, positive NIPT results of chromosomal deletions/duplications were not uncommon in clinical practice, whereas the PPV for the testing was low. Hence, potential risks and high percentage of false positives for these abnormal NIPT results might be informed to pregnant women before the choice made of invasive testing.
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http://dx.doi.org/10.1002/mgg3.1687DOI Listing
May 2021

-Glycosylated immunomodulatory protein improved anti-inflammatory activity inhibition of the p38 MAPK pathway.

Food Funct 2021 Apr;12(8):3393-3404

School of Agriculture and Biology, and Engineering Research Center of Therapeutic Antibody, Ministry of Education, Shanghai Jiao Tong University, Shanghai 200240, PR China.

The global health emergency generated by coronavirus disease-2019 has prompted the search for immunomodulatory agents. There are many potential natural products for drug discovery and development to tackle this disease. One of these candidates is the Ganoderma lucidum fungal immunomodulatory protein (FIP-glu). In the present study, we clarify the influences of N-linked glycans on the improvement of anti-inflammatory activity and the potential mechanisms of action. Four proteins, including FIP-glu (WT) and its mutants N31S, T36N and N31S/T36N, were successfully expressed in P. pastoris, of which T36N and N31S/T36N were glycoproteins. After treatment with peptide-N-glycosidase F, the results of SDS-PAGE and Western blot showed that the glycan moiety was removed completely, indicating that the glycan moiety was N-linked. This was also demonstrated by UPLC-qTOF-MS. The cytotoxicity assay showed that N-linked glycans decreased the cytotoxicity of WT; while, the RT-qPCR assay showed that N-glycosylated WT regulated the mRNA expression of IL-6 and TGF-β1. The Western blot results showed that N-glycosylated WT reduced the phosphorylation level of p38 MAPK. In conclusion, our findings revealed a novel mechanism by which N-glycosylation of FIP-glu improved its anti-inflammatory activity through the regulation of the expression of inflammatory cytokines in RAW264.7 via inhibition of p38 MAPK phosphorylation. It was proved that N-glycosylation significantly improved the functional properties of FIP-glu, providing theoretical and technical support for expanding the application of FIPs in the food and pharmaceutical industries.
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http://dx.doi.org/10.1039/d1fo00178gDOI Listing
April 2021

Lindl. alkaloids alleviate Mn-induced neurotoxicity via PINK1/Parkin-mediated mitophagy in PC12 cells.

Biochem Biophys Rep 2021 Jul 2;26:100877. Epub 2021 Apr 2.

Key Laboratory of Basic Pharmacology of Ministry of Education, Zunyi Medical University, Zunyi, Guizhou, China.

Modern pharmacological studies have demonstrated that Lindl. Alkaloids (DNLA), the main active ingredients of , is valuable as an anti-aging and neuroprotective herbal medicine. The present study was designed to determine whether DNLA confers protective function over neurotoxicant manganese (Mn)-induced cytotoxicity and the mechanism involved. Our results showed that pretreatment of PC12 cells with DNLA alleviated cell toxicity induced by Mn and improved mitochondrial respiratory capacity and oxidative status. Mn treatment increased apoptotic cell death along with a marked increase in the protein expression of Bax and a decrease in the expression of Bcl-2 protein, all of which were noticeably reversed by DNLA. Furthermore, DNLA significantly abolished the decrease in protein levels of both PINK1 and Parkin, and mitigated the increased expression of autophagy marker LC3-II and accumulation of p62 caused by Mn. These results demonstrate that DNLA inhibits Mn induced cytotoxicity, which may be mediated through modulating PINK1/Parkin-mediated autophagic flux and improving mitochondrial function.
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http://dx.doi.org/10.1016/j.bbrep.2020.100877DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8047462PMC
July 2021

Correction: Analysis and visualization of energy densities. I. Insights from real-time time-dependent density functional theory simulations.

Phys Chem Chem Phys 2021 Apr 29;23(14):8936. Epub 2021 Mar 29.

Department of Chemistry and Biochemistry, University of Oklahoma, 101 Stephenson Pkwy, Norman, OK 73019, USA.

Correction for 'Analysis and visualization of energy densities. I. Insights from real-time time-dependent density functional theory simulations' by Junjie Yang et al., Phys. Chem. Chem. Phys., 2020, 22, 26838-26851, DOI: .
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http://dx.doi.org/10.1039/d1cp90057aDOI Listing
April 2021

miR-181a-2-3p alleviates the apoptosis of renal tubular epithelial cell via targeting GJB2 in sepsis-induced acute kidney injury.

Mol Cell Biol 2021 Apr 19. Epub 2021 Apr 19.

Emergency Department, First Affiliated Hospital of Gannan Medical University, Ganzhou 341000, Jiangxi Province, People's Republic of China.

Acute kidney injury (AKI) is the most common complication of sepsis. microRNAs (miRNAs) play important roles in the sepsis-induced AKI. This paper aimed to explore the role of miR-181a-2-3p in the sepsis-induced AKI and the underlying mechanism. Our results revealed that miR-181a-2-3p showed low expression levels in patients with sepsis and mouse models undergoing cecal ligation and puncture (CLP). The addition of miR-181a-2-3p antagonists aggravated the sepsis-induced kidney injuries and inflammatory response in CLP mouse models, as suggested by hematoxylin and eosin (H&E) staining and qRT-PCR. Besides, miR-181a-2-3p mimic alleviated the lipopolysaccharide (LPS)-induced inflammatory response, along with apoptosis of TCMK-1. Moreover, results from the GSE46955 dataset indicated that GJB2 was highly expressed in septic patients, but lowly expressed after recovery. Further, the dual-luciferase reporter assay and RNA immunoprecipitation (RIP) assay were carried out, which confirmed that GJB2 was a target of miR-181a-2-3p, and over-expression of GJB2 reversed the anti-inflammatory and anti-apoptotic effects of miR-181a-2-3p mimic on the LPS-induced sepsis cell models. In conclusion, miR-181a-2-3p alleviates the inflammatory response and cell apoptosis of septic patients and animal models by up-regulating GJB2 expression, which may provide a new therapeutic strategy for sepsis.
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http://dx.doi.org/10.1128/MCB.00016-21DOI Listing
April 2021

Transcriptome analysis reveals changes in silkworm energy metabolism during Nosema bombycis infection.

Pestic Biochem Physiol 2021 May 27;174:104809. Epub 2021 Feb 27.

State Key Laboratory of Silkworm Genome Biology, Southwest University, Chongqing 400716, China; Key Laboratory of Sericultural Biology and Genetic Breeding, Ministry of Agriculture, Ministry of Agriculture and Rural Affairs, Chongqing 400716, China. Electronic address:

Energy metabolism is important for the proliferation of microsporidia in infected host cells, but there is limited information on the host response. The energy metabolism response of silkworm (Bombyx mori) to microsporidia may help manage Nosema bombycis infections. We analyzed differentially expressed genes in the B.mori midgut transcriptome at two significant time points of microsporidia infection. A total of 1448 genes were up-regulated, while 315 genes were down-regulated. A high proportion of genes were involved in the phosphatidylinositol signaling system, protein processing in the endoplasmic reticulum, and glycerolipid metabolism at 48 h post infection (h p.i.), and a large number of genes were involved in the TCA cycle and protein processing at 120 h p.i. These results showed that the early stages of microsporidia infection affected the basic metabolism and biosynthesis processes of the silkworm. Knockout of Bm_nscaf2860_46 (Bombyx mori isocitrate dehydrogenase, BmIDH) and Bm_nscaf3027_062 (Bombyx mori hexokinase, BmHXK) reduced the production of ATP and inhibited microsporidia proliferation. Host fatty acid degradation, glycerol metabolism, glycolysis pathway, and TCA cycle response to microsporidia infection were also analyzed, and their importance to microsporidia proliferation was verified. These results increase our understanding of the molecular mechanisms involved in N. bombycis infection and provide new insights for research on microsporidia control. IMPORTANCE: Nosema bombycis can be vertically transmitted in silkworm eggs. The traditional prevention and control strategies for microsporidia are difficult and time-consuming, and this is a problem in silkworm culture. Research has mainly focused on host gene functions related to microsporidia infection and host immune responses after microsporidia infection. Little is known about the metabolic changes occurring in the host after infection. Understanding the metabolic changes in the silkworm host could aid in the recognition of host genes important for microsporidia infection and growth. We analyzed host metabolic changes and the main participating pathways at two time points after microsporidia infection and screened the microsporidia-dependent host energy metabolism genes BmIDH and BmHXK. The results revealed genes that are important for the proliferation of Nosema bombycis. These results illustrate how microsporidia hijack the host genome for their growth and reproduction.
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http://dx.doi.org/10.1016/j.pestbp.2021.104809DOI Listing
May 2021

Biventricular surgical repair of "Swiss Cheese" ventricular septal defects with two-patch and right ventricle apex excluding technique: preliminary experience and clinical results.

J Cardiothorac Surg 2021 Mar 20;16(1):33. Epub 2021 Mar 20.

Heart Center, Qingdao Women and Children's Hospital, Qingdao University, No.6 Tongfu Road, 266034, Qingdao, People's Republic of China.

Background: "Swiss Cheese" ventricular septal defects (VSDs) is a kind of rare and complex congenital heart defects and the surgical management remains controversial and a challenge. We reviewed our preliminary clinical experience on biventricular surgical repair of "Swiss Cheese" VSDs with two-patch and right ventricle apex excluding technique in 10 cases.

Methods: From May 2014 to December 2019, a series of 10 patients (M/F = 3/7) were admitted in our center. Nine cases underwent one-stage surgical repair with two-patch and right ventricle apex excluding technique and 1 case received two-stage surgical repair with the same technique. Surgical repair was done with cardiopulmonary bypass (CPB) in all cases. Two fresh autologous pericardium patches were used to close defects of the outflow tract area and the apex trabecular area respectively and as a result, the right ventricular apex was excluded from the right ventricular inflow tract.

Results: All operations were successful. Median CPB time and aortic clamping time were 96 min and 68 min respectively. Delayed chest closure was performed in 2 cases within 48-72 h postoperatively. The Median time of mechanical ventilation and ICU stay were 131.3 h and 8 days respectively. Median length of hospital stay after operation was 11 (9-42) days. There was no mortality and major complication except for 2 cases of ventilator associated pneumonia. There was no death and major complication during a median follow-up time of 3.2 years.. The latest echocardiography results showed the left and right heart function was normal in all the cases.

Conclusions: Biventricular surgical repair of "Swiss Cheese" VSDs with two-patch of fresh autologous pericardium and right ventricle apex excluding technique in infants is safe and feasible with favorable early and mid-term results. Long term results need to be evaluated with more cases.
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http://dx.doi.org/10.1186/s13019-021-01399-wDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7981800PMC
March 2021

Protein arginine methylation: from enigmatic functions to therapeutic targeting.

Nat Rev Drug Discov 2021 Mar 19. Epub 2021 Mar 19.

Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada.

Protein arginine methyltransferases (PRMTs) are emerging as attractive therapeutic targets. PRMTs regulate transcription, splicing, RNA biology, the DNA damage response and cell metabolism; these fundamental processes are altered in many diseases. Mechanistically understanding how these enzymes fuel and sustain cancer cells, especially in specific metabolic contexts or in the presence of certain mutations, has provided the rationale for targeting them in oncology. Ongoing inhibitor development, facilitated by structural biology, has generated tool compounds for the majority of PRMTs and enabled clinical programmes for the most advanced oncology targets, PRMT1 and PRMT5. In-depth mechanistic investigations using genetic and chemical tools continue to delineate the roles of PRMTs in regulating immune cells and cancer cells, and cardiovascular and neuronal function, and determine which pathways involving PRMTs could be synergistically targeted in combination therapies for cancer. This research is enhancing our knowledge of the complex functions of arginine methylation, will guide future clinical development and could identify new clinical indications.
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http://dx.doi.org/10.1038/s41573-021-00159-8DOI Listing
March 2021

[Annual progress in critical care medicine in 2020].

Zhonghua Wei Zhong Bing Ji Jiu Yi Xue 2021 Feb;33(2):131-138

Department of Critical Care Medicine, West China Hospital, Sichuan University, Chengdu 610041, Sichuan, China. Corresponding author: Kang Yan, Email:

The epidemic of coronavirus disease 2019 (COVID-19) puts higher demands on critical care medicine. Lots of studies have been conducted to solve COVID-19-related problems. Therefore, we reviewed the annual progress for COVID-19-related issues including antivirals threapies, respiratory support and immunomodulatory therapies and other critical issues, including the effect of antibiotic on mitochondrial damage and its relationship with sepsis, the goal and direction of antimicrobial de-escalation, drug prophylaxis of constipation, bleeding in gastrointestinal disorders and management of critical illness in the informalization era and so on. We hope to provide reference for clinical and scientific research work of the intensivists.
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http://dx.doi.org/10.3760/cma.j.cn121430-20210126-00121DOI Listing
February 2021

Controlled synthesis of Cu-based SAPO-18/34 intergrowth zeolites for selective catalytic reduction of NO by ammonia.

J Hazard Mater 2021 Jul 26;414:125543. Epub 2021 Feb 26.

Key Laboratory of Material Chemistry for Energy Conversion and Storage, Ministry, of Education, Hubei Key Laboratory of Material Chemistry and Service Failure, School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074, PR China. Electronic address:

Cu-based SAPO-18, SAPO-18/34 intergrowth and SAPO-34 zeolites were applied for the selective catalytic reduction of NO by ammonia (NH-SCR) catalysts. Comprehensive characterization results revealed that the SAPO-18/34 with higher amount and strength of acid sites could facilitate the generation of more isolated copper ions (Cu and Cu) and suppress the formation of CuO, which might account for the fact that intergrowth crystal structure of Cu-SAPO-18/34 exhibited higher fresh NH-SCR activity, more robust hydrothermal durability and better SO-resistance ability than that Cu-SAPO-18 and Cu-SAPO-34. In situ DRIFTS results provided the formation of reaction intermediates, such as -NH, NH, NO, NO, etc. Eley-Rideal (E-R) and Langmuir-Hinshelwood (L-H) reaction mechanisms were both involved in Cu-based SAPO-18 and SAPO-18/34 intergrowth zeolites, but the L-H mechanism dominated the NH-SCR reaction, in addition, Cu-SAPO-34 only followed "L-H" mechanism.
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http://dx.doi.org/10.1016/j.jhazmat.2021.125543DOI Listing
July 2021

Paraventricular Nucleus P2X7 Receptors Aggravate Acute Myocardial Infarction Injury via ROS-Induced Vasopressin-V1b Activation in Rats.

Neurosci Bull 2021 May 23;37(5):641-656. Epub 2021 Feb 23.

Department of Physiology and Pathophysiology, School of Basic Medical Sciences, Fudan University, Shanghai, 200032, China.

The present study was designed to investigate the mechanisms by which P2X7 receptors (P2X7Rs) mediate the activation of vasopressinergic neurons thereby increasing sympathetic hyperactivity in the paraventricular nucleus (PVN) of the hypothalamus of rats with acute myocardial ischemia (AMI). The left anterior descending branch of the coronary artery was ligated to induce AMI in rats. The rats were pretreated with BBG (brilliant blue G, a P2X7R antagonist), nelivaptan (a vasopressin V1b receptor antagonist), or diphenyleneiodonium (DPI) [an nicotinamide adenine dinucleotide phosphate (NADPH) oxidase inhibitor]. Hemodynamic parameters of the heart were monitored. Myocardial injury and cardiomyocyte apoptosis were assessed. In the PVN of AMI rats, P2X7R mediated microglial activation, while reactive oxygen species (ROS) and NADPH oxidase 2 (NOX2) were higher than in the sham group. Intraperitoneal injection of BBG effectively reduced ROS production and vasopressin expression in the PVN of AMI rats. Moreover, both BBG and DPI pretreatment effectively reduced sympathetic hyperactivity and ameliorated AMI injury, as represented by reduced inflammation and apoptosis of cardiomyocytes. Furthermore, microinjection of nelivaptan into the PVN improved cardiac function and reduced the norepinephrine (AE) levels in AMI rats. Collectively, the results suggest that, within the PVN of AMI rats, P2X7R upregulation mediates microglial activation and the overproduction of ROS, which in turn activates vasopressinergic neuron-V1b receptors and sympathetic hyperactivity, hence aggravating myocardial injury in the AMI setting.
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http://dx.doi.org/10.1007/s12264-021-00641-8DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8099953PMC
May 2021

Mechanisms of parental co-exposure to polystyrene nanoplastics and microcystin-LR aggravated hatching inhibition of zebrafish offspring.

Sci Total Environ 2021 Jun 11;774:145766. Epub 2021 Feb 11.

Institute of Quality Standard & Testing Technology for Agro-Products, Hubei Academy of Agricultural Sciences, Wuhan 430064, China; Hubei Key Laboratory of Nutritional Quality and Safety of Agro-Products, Wuhan 430064, Hubei, China. Electronic address:

The combined toxicity effects of microcystins-LR (MCLR) and polystyrene nanoplastics (PSNPs) on the hatching of F1 zebrafish (Danio rerio) embryos were investigated in this study due to the increasing concerns of both plastic pollution and eutrophication in aquatic environments. Three-month-old zebrafish were used to explore the molecular mechanisms underlying the combined effect of MCLR (0, 0.9, 4.5, and 22.5 μg/L) on egg hatching in the existence of PSNPs (100 μg/L). The results demonstrated the existence of PSNPs further increased the accumulation of MCLR in F1 embryos. The hatching rates of F1 embryos were inhibited after exposure to 22.5 μg/L MCLR, and the presence of PSNPs aggravated the hatching inhibition induced by MCLR. The decrease of hatching enzyme activity and the abnormality of spontaneous movement were observed. We examined the altered expression levels of the genes associated with the hatching enzyme (tox16, foxp1, ctslb, xpb1, klf4, cap1, bmp4, cd63, He1.2, zhe1, and prl), cholinergic system (ache and chrnα7), and muscle development (Wnt, MyoD, Myf5, Myogenin, and MRF4). The results suggested the existence of PSNPs exacerbated the hatching inhibition of F1 embryos through decreasing the activity of enzyme, interfering with the cholinergic system, and affecting the muscle development.
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http://dx.doi.org/10.1016/j.scitotenv.2021.145766DOI Listing
June 2021

RNA-Seq analysis of the protection by Dendrobium nobile alkaloids against carbon tetrachloride hepatotoxicity in mice.

Biomed Pharmacother 2021 May 6;137:111307. Epub 2021 Feb 6.

Key Laboratory of Basic Pharmacology of Ministry of Education and Joint International Research Laboratory of Ethnocentric of Ministry of Education, Zunyi Medical University, Zunyi, China. Electronic address:

Objective: Dendrobium nobile is a genuine Chinese medicine. Dendrobium nobile Lindl. alkaloids (DNLA) protects against CCl-induced acute liver injury. This study used RNA-Seq to explore the mechanisms.

Methods: Mice were pretreated with DNLA (10 and 20 mg/kg, po) for 7 days, and subsequently intoxicated with CCl (20 μL/kg, ip for 24 h). Liver RNA was extracted and subjected to RNA-Seq. The bioinformatics, including PCA, GO, KEGG, two-dimensional clustering, Ingenuity Pathways Analysis (IPA), and Illumina BaseSpace Correlation Engine (BSCE) were used to analyze the data. qPCR was performed on selected genes to verify RNA-Seq results.

Results: DNLA protection against CCl hepatotoxicity was confirmed by histopathology. PCA revealed the distinct gene expression patterns between the different treatment groups. GO showed that CCl induced the activation, adhesion and proliferation of immune cells. KEGG showed CCl induced oxidative stress, diseases and compromised adaptive responses. CCl induced differentially expressed genes (DEGs) were identified by DESeq2 with Padj < 0.05 and 2D-clustered with other groups. DNLA reverted CCl-induced DEGs in a dose-dependent manner. qPCR analysis of S100 g, Sprr1, CCL3/7, Saa2/3, IL1rn, Cox7a2 and Rad15 confirmed RNA-Seq results. IPA showed that CCl treatment altered some signaling and metabolic pathways, which were ameliorated or returned to normal following DNLA treatment. The CCl-activated mitochondrial oxidative phosphorylation was illustrated as an example. IPA Upstream Regulator Analysis further revealed the activated or inhibited molecules and chemicals that are responsible for CCl-induced DEGs, and DNLA attenuated these changes. BSCE analysis verified that CCl-induced DEGs were highly correlated with the GEO database of CCl hepatotoxicity in rodents, and DNLA dose-dependently attenuated such correlation.

Conclusion: RNA-Seq revealed CCl-induced DEGs, disruption of canonical pathways, activation or inhibition of upstream regulators, which are highly correlated with database for CCl hepatotoxicity. All these changes were attenuated or returned to normal by DNLA, demonstrating the mechanisms for DNLA to protect against CCl hepatotoxicity.
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http://dx.doi.org/10.1016/j.biopha.2021.111307DOI Listing
May 2021

Results of two different echocardiography-guided approaches to closure of perimembranous ventricular septal defects.

Eur J Cardiothorac Surg 2021 Jun;59(6):1304-1311

Department of Cardiovascular Surgery, The Second Xiangya Hospital, Central South University, Changsha, Hunan, China.

:

Objectives: The feasibility of mini-invasive closure of perimembranous ventricular septal defects has been proven, but can cause surgical incision or sternum injury. A relevant but, to date, unanswered question is whether there exists a treatment without surgical trauma, radiation exposure and arterial complications.

Methods: From May 2017 to January 2020, a total of 449 patients with perimembranous ventricular septal defect [mean age 5.0 ± 6.1 years (range 0.8-52.0 years)] were involved in this study and underwent 2 different echocardiography-guided operative procedures [percutaneous device closure (group A) or percardiac device closure (group B)] based on the patients' or their parents' choice. The clinical data were collected and a retrospective analysis was performed.

Results: Fifty-five (96.5%) cases were successfully occluded in group A, and 2 (3.5%) patients were converted to percardiac device closure; 379 (96.7%) patients in group B underwent percardiac device closure, and 13 patients (3.3%) were turned to open-heart surgery after occlusion procedure failure. There were statistically significant differences (P < 0.05) between the 2 groups in operation time, postoperative hospitalization time and blood transfusion requirement. No acute complications or severe adverse events (death, valve injury, complete atrioventricular block and embolism) occurred either in the early period or during the follow-up.

Conclusions: Percutaneous device closure can achieve the same validity and safety as percardiac device closure for treating perimembranous ventricular septal defects with a more rapid recovery and less trauma.
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http://dx.doi.org/10.1093/ejcts/ezab015DOI Listing
June 2021

Rutaecarpine Ameliorates Pressure Overload Cardiac Hypertrophy by Suppression of Calcineurin and Angiotensin II.

Evid Based Complement Alternat Med 2021 12;2021:8857329. Epub 2021 Jan 12.

Department of Pharmacology, Chongqing Key Laboratory of Biochemistry and Molecular Pharmacology, Chongqing Medical University, Chongqing 400016, China.

Cardiac hypertrophy is a major pathological process to result in heart failure and sudden death. Rutaecarpine, a pentacyclic indolopyridoquinazolinone alkaloid extracted from with multiple pharmacological activities, yet the underlying protective effects and the mechanisms on cardiac hypertrophy remain unclear. This study aimed to evaluate the potential effects of rutaecarpine on pressure overload cardiac hypertrophy. Cardiac hypertrophy in rat was developed by abdominal aortic constriction (AAC) for 4 weeks, which was improved by rutaecarpine supplementation (20 or 40 mg/kg/day, i.g.) for another 4 weeks. The level of angiotensin II was increased; the mRNA expression and the activity of calcineurin in the left ventricular tissue were augmented following cardiac hypertrophy. Rutaecarpine administration decreased angiotensin II content and reduced calcineurin expression and activity. Noteworthily, in angiotensin II-induced cardiomyocytes, rutaecarpine ameliorated the hypertrophic effects in a dose-dependent manner and downregulated the increased mRNA expression and activity of calcineurin. In conclusion, rutaecarpine can improve cardiac hypertrophy in pressure overload rats, which may be related to the inhibition of angiotensin II-calcineurin signal pathway.
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http://dx.doi.org/10.1155/2021/8857329DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7822676PMC
January 2021

Structure, preparation, modification, and bioactivities of β-glucan and mannan from yeast cell wall: A review.

Int J Biol Macromol 2021 Mar 23;173:445-456. Epub 2021 Jan 23.

National Reference Laboratory of Veterinary Drug Residues and MOA Key Laboratory for Detection of Veterinary Drug Residues, Huazhong Agricultural University, Wuhan, Hubei 430070, China; MOA Laboratory for Risk Assessment of Quality and Safety of Livestock and Poultry Products, Huazhong Agricultural University, Wuhan, Hubei 430070, China. Electronic address:

In order to solve the antibiotic resistance, the research on antibiotic substitutes has received an extensive attention. Many studies have shown that β-glucan and mannan from yeast cell wall have the potential to replace antibiotics for the prevention and treatment of animal diseases, thereby reducing the development and spread of antibiotic-resistant bacterial pathogens. β-Glucan and mannan had a variety of biological functions, including improving the intestinal environment, stimulating innate and acquired immunity, adsorbing mycotoxins, enhancing antioxidant capacity, and so on. The biological activities of β-glucan and mannan can be improved by chemically modifying its primary structure or reducing molecular weight. In this paper, the structure, preparation, modification, and biological activities of β-glucan and mannan were reviewed, which provided future perspectives of β-glucan and mannan.
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http://dx.doi.org/10.1016/j.ijbiomac.2021.01.125DOI Listing
March 2021

Airway pressure release ventilation versus low tidal volume ventilation for patients with acute respiratory distress syndrome/acute lung injury: a meta-analysis of randomized clinical trials.

Ann Transl Med 2020 Dec;8(24):1641

Department of Critical Care Medicine, West China Hospital of Sichuan University, Chengdu, China.

Background: It is uncertain whether airway pressure release ventilation (APRV) is better than low tidal volume ventilation (LTVV) for patients with acute respiratory distress syndrome (ARDS). The purpose of this meta-analysis was to compare APRV and LTVV on patients with ARDS.

Methods: Randomized controlled trials (RCTs) comparing outcomes in ARDS ventilator therapy with APRV or LTVV were identified using Medical Literature Analysis and Retrieval System Online (MEDLINE), Excerpta Medica Database (EMBASE), Cumulative Index to Nursing and Allied Health Literature (CINAHL), Web of Science, the Cochrane Library, and The Chinese Biomedicine Literature Database (SinoMed) from inception to March 2019.

Results: A total of 7 RCTs with a 405 patients were eligible for our meta-analysis. The results revealed that APRV was associated with lower hospital mortality [405 patients; odds ratio (OR), 0.57; 95% confidence interval (CI), 0.37-0.88; P=0.01], a shorter time of ventilator therapy [373 patients; mean difference (MD), 5.36; 95% CI, 1.99-8.73; P=0.002], and intensive care unit (ICU) stay (315 patients; MD, -4.50; 95% CI, -6.56 to -2.44; P<0.0001), better respiratory system compliance on day 3 (202 patients; MD, 8.19; 95% CI, 0.84-15.54; P=0.03), arterial partial pressure of oxygen/fraction of inspired oxygen (PaO2/FiO2) on day 3 (294 patients; MD, 44.40; 95% CI, 16.05-72.76; P=0.002), and higher mean arterial pressure (MAP) on day 3 (285 patients; MD, 4.18; 95% CI, 3.10-5.25; P<0.00001). There was no statistical difference in the incidence of pneumothorax (170 patients; OR, 0.40; 95% CI, 0.12-1.34; P=0.14).

Conclusions: The meta-analysis showed that APRV could reduce hospital mortality, duration of ventilation and ICU stay, improve lung compliance, oxygenation index, and MAP compared with LTVV for patients with ARDS. We found APRV to be a safe and effective ventilation mode for patients with ARDS.
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http://dx.doi.org/10.21037/atm-20-6917DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7812231PMC
December 2020

Genetic bioengineering of overexpressed guanylate binding protein family BmAtlastin-n enhances silkworm resistance to Nosema bombycis.

Int J Biol Macromol 2021 Mar 13;172:223-230. Epub 2021 Jan 13.

State Key Laboratory of Silkworm Genome Biology, Southwest University, Chongqing 400716, China; Key Laboratory of Sericultural Biology and Genetic Breeding, Ministry of Agriculture, Southwest University, Chongqing 400716, China. Electronic address:

Microsporidia are obligate single-celled eukaryote parasites. Microsporidian infection can cause large economic losses to beneficial insects such as silkworms and honey bees. Identification of resistance biomacromolecules and breeding of transgenic lines resistant to the microsporidian Nosema bombycis are important for disease management. We previously used transcriptome analysis to identify a guanylate binding protein family BmAtlastin-n gene that was significantly upregulated after Nosema bombycis infection, and we determined that the molecule was highly expressed in resistance-related tissues such as the midgut, fat body and the epidermis. The transgenic silkworm line overexpressing BmAtlastin-n biomolecules had economic characters similar to those of non-transgenic lines. The transgenic OE-BmAtlastin-n lines had significantly improved survival after microspore infection. We used RT-PCR and H&E staining to show that the number of spores in the transgenic lines was significantly lower than in the control lines. In this study, we identified a BmAtlastin-n macromolecule with resistance to N. bombycis and developed a transgenic line. The results improved understanding of the GBP protein family and provided biomacromolecule material for the treatment and prevention of microsporidia.
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http://dx.doi.org/10.1016/j.ijbiomac.2021.01.021DOI Listing
March 2021

Antibody to peptidoglycan recognition protein (PGLYRP)-2 as a novel biomarker in rheumatoid arthritis.

Clin Exp Rheumatol 2021 Jan 6. Epub 2021 Jan 6.

Department of Rheumatology and Immunology, Peking University People's Hospital & Beijing Key Laboratory for Rheumatism Mechanism and Immune Diagnosis (BZ0135), Beijing, China.

Objectives: To identify novel autoantigens from circulating immune complexes (CICs) in rheumatoid arthritis (RA) patients and further explore their clinical significance.

Methods: From serum samples of 10 early RA (ERA) patients and 10 healthy donors, CICs were isolated and subjected to orbitrap mass spectrometry for autoantigen identification. Antibodies against the peptidoglycan recognition protein-2 (PGLYRP-2) derived from CICs were further detected by indirect enzyme-linked immunosorbent assay (ELISA) in 178 patients with RA, compared with 59 osteoarthritis (OA), 59 systemic lupus erythematosus (SLE), 55 ankylosing spondylitis (AS), 95 primary Sjögren's syndrome (pSS) and 50 healthy controls (HC).

Results: Thirty-three potential antigens out of 323 proteins were identified from CICs of RA patients. The autoantibodies to PGLYRP-2 were significantly increased in RA patients with 42.70% sensitivity and 85.20% specificity in comparison to other rheumatic diseases and healthy controls. The prevalence of anti-PGLYRP-2 was also elevated in subgroups of RA, with 34.72% in ERA, 35.29% in RF negative and 42.86% in anti-CCP negative patients. Further analysis suggested that anti-PGLYRP-2 was potentially accompanied with production of other autoantibodies in RA. In addition, we found by homology analysis that an epitope of PGLYRP-2442-447 mimics amino acid residues 431-436 of N-acetylmuramoyl-L-alanine amidase (NAMLAA) in actinomyces naeslundii.

Conclusions: Autoantibody against PGLYRP-2 was identified as a promising biomarker in RA, especially in early and seronegative patients.
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January 2021

Charge transfer states impact the triplet pair dynamics of singlet fission polymers.

J Chem Phys 2020 Dec;153(24):244902

Department of Physics, Graduate Center, City University of New York, New York, New York 10016, USA.

Polymers are desirable optoelectronic materials, stemming from their solution processability, tunable electronic properties, and large absorption coefficients. An exciting development is the recent discovery that singlet fission (SF), the conversion of a singlet exciton to a pair of triplet states, can occur along the backbone of an individual conjugated polymer chain. Compared to other intramolecular SF compounds, the nature of the triplet pair state in SF polymers remains poorly understood, hampering the development of new materials with optimized excited state dynamics. Here, we investigate the effect of solvent polarity on the triplet pair dynamics in the SF polymer polybenzodithiophene-thiophene-1,1-dioxide. We use transient emission measurements to study isolated polymer chains in solution and use the change in the solvent polarity to investigate the role of charge transfer character in both the singlet exciton and the triplet pair multiexciton. We identify both singlet fluorescence and direct triplet pair emission, indicating significant symmetry breaking. Surprisingly, the singlet emission peak is relatively insensitive to solvent polarity despite its nominal "charge-transfer" nature. In contrast, the redshift of the triplet pair energy with increasing solvent polarity indicates significant charge transfer character. While the energy separation between singlet and triplet pair states increases with solvent polarity, the overall SF rate constant depends on both the energetic driving force and additional environmental factors. The triplet pair lifetime is directly determined by the solvent effect on its overall energy. The dominant recombination channel is a concerted, radiationless decay process that scales as predicted by a simple energy gap law.
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http://dx.doi.org/10.1063/5.0029858DOI Listing
December 2020

Synthesis of Surface-Active Heteropolyacid-Based Ionic Liquids and Their Catalytic Performance for Desulfurization of Fuel Oils.

ACS Omega 2020 Dec 25;5(48):31171-31179. Epub 2020 Nov 25.

Beijing Key Laboratory for Chemical Power Source and Green Catalysis, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, 100081 Beijing, China.

Surface-active heteropolyacid-based ionic liquids with varying alkyl carbon chains were synthesized, which were subsequently analyzed. The desulfurization of fuels was investigated utilizing various surface-active heteropolyacid-based ionic liquids, and acetonitrile was used as the extractant for the coupling of ODS and EDS. The influences of the alkyl group, surface activity, and hydrophobicity of ionic liquids on sulfur removal were studied. The results suggested that the ionic liquids were stable. Among these ionic liquids, [CImBS][PWO] exhibited the best catalytic performance. Using [CImBS][PWO] as the catalyst, the influences of the catalyst amount, aqueous hydrogen peroxide amount, and reaction temperature on the sulfur removal were explored. Under the optimum conditions, the sulfur removal could achieve 100% efficiency. The recycle experiments also proved that the ionic liquid could be reused.
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http://dx.doi.org/10.1021/acsomega.0c04398DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7726930PMC
December 2020

Changes in global Orchidaceae disease geographical research trends: recent incidences, distributions, treatment, and challenges.

Bioengineered 2021 Dec;12(1):13-29

Key Laboratory of Basic Pharmacology and Joint International Research Laboratory of Ethnomedicine of Ministry of Education, Zunyi Medical University , Zunyi, Guizhou, China.

Many of the Orchidaceae species are threatened due to environmental changes and over exploitation for full fill global demands. The main objective of this article was critically analyzed the recent global distribution of Orchidaceae diversity, its disease patterns, microbial disease identification, detection, along with prevention and challenges. Critical analysis findings revealed that Orchidaceae growth and developments were affected indirectly or directly as a result of complex microbial ecological interactions. Studies have identified many species associated with orchids, some are pathogenic and cause symptoms such as soft rot, brown rot, brown spot, black rot, wilt, foliar, root rot, anthracnose, leaf spot. The review was provided the comprehensive data to evaluate the identification and detection of microbial disease, which is the most important challenge for sustainable cultivation of Orchidaceae diversity. Furthermore, this article is the foremost of disease triggering microbes, orchid relations, and assimilates various consequences that both promoted the considerate and facts of such disease multipart, and will permit the development of best operative disease management practices.
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http://dx.doi.org/10.1080/21655979.2020.1853447DOI Listing
December 2021

The joint effect of parental exposure to microcystin-LR and polystyrene nanoplastics on the growth of zebrafish offspring.

J Hazard Mater 2021 05 26;410:124677. Epub 2020 Nov 26.

College of Fisheries, Huazhong Agricultural University, Wuhan 430070, China; Hubei Provincial Engineering Laboratory for Pond Aquaculture, Wuhan 430070, China. Electronic address:

The coexistence of nanoplastics (NPs) and various pollutants in the environment has become a problem that cannot be ignored. In order to identify the microcystin-LR (MCLR) bioaccumulation and the potential impacts on the early growth of F1 zebrafish (Danio rerio) offspring in the presence of polystyrene nanoplastics (PSNPs), PSNPs and MCLR were used to expose adult zebrafish for 21days. The exposure groups divided into MCLR (0, 0.9, 4.5 and 22.5μgL) alone groups and PSNP (100μgL) and MCLR co-exposure groups. F1 embryos were collected and developed to 120 h post-fertilization (hpf) in clear water. Compared with the exposure to MCLR only, the combined exposure increased the parental transfer of MCLR to the offspring and subsequently exacerbated the growth inhibition of F1 larvae. Further research clarified that combined exposure of PSNPs and MCLR could reduce the levels of thyroxine (T4) and 3, 5, 3'-triiodothyronine (T3) by altering the expression of hypothalamus-pituitary-thyroid (HPT) axis-related genes, eventually leading to growth inhibition of F1 larvae. Our results also exhibited combined exposure of PSNPs and MCLR could change the transcription of key genes of the GH/IGF axis compared with MCLR single exposure, suggesting the GH/IGF axis was a potential target for the growth inhibition of F1 larvae in PSNPs and MCLR co-exposure groups. The present study highlights the potential risks of coexistence of MCLR and PSNPs on development of fish offspring, and the environmental risks to aquatic ecosystems.
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http://dx.doi.org/10.1016/j.jhazmat.2020.124677DOI Listing
May 2021

Clinical utilization of chromosomal microarray analysis for the genetic analysis in subgroups of pregnancy loss.

J Matern Fetal Neonatal Med 2020 Nov 23:1-8. Epub 2020 Nov 23.

Center for Genetic Medicine, Maternity and Child Health Care Hospital, Affiliated to Xuzhou Medical University, Xuzhou, Jiangsu, China.

Objective: The underlying etiologies of pregnancy loss are heterogeneous and in many cases unexplained. This study was to explore the genetic causes of early and late pregnancy loss using chromosomal microarray analysis (CMA).

Methods: A cohort of 222 specimens of conceptions underwent genetic analysis using Affymetrix CytoScan 750 K arrays, which includes both SNP markers and copy number markers.

Results: Of the 222-products of conception (POC), the overall detection rate for clinical significantly chromosomal anomalies was 40.54%, including 53 autosomal aneuploidy (23.87%), 16 sex chromosome aneuploidy (7.21%), 5 mutiple aneuploidy (2.25%), 4 triploidy (1.80%), and 12 pathogenic copy number variants (pCNVs) (5.41%). In addition, variants of uncertain significance and loss of heterozygosity were detected in 9 samples and 2 samples, respectively. The detection rates for total chromosomal abnormalities, autosomal aneuploidy, sex chromosome aneuploidy, multiple aneuploidy, and triploidy in specimens of early pregnancy loss was higher than that of late pregnancy loss, while had lower detection rate of pCNVs. Moreover, the detection rate in POC of mothers younger than 35 years was lower than that of advanced maternal age. The detection rate was 40.57% in POC of mothers with adverse pregnancy histories, in which was comparable with that of mothers without adverse pregnancy histories.

Conclusions: CMA yielded a superior detection rate in early pregnancy loss than that of late pregnancy loss. Moreover, the incidence of chromosome abnormality in cases with advanced maternal age was higher than that of cases with younger maternal age, while adverse pregnancy history seemed not to be the factors affecting the detection rate for chromosomal abnormality in pregnancy loss.
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http://dx.doi.org/10.1080/14767058.2020.1849126DOI Listing
November 2020

Analysis and visualization of energy densities. II. Insights from linear-response time-dependent density functional theory calculations.

Phys Chem Chem Phys 2020 Dec;22(46):26852-26864

State Key Laboratory of Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China.

Inspired by the analysis of Kohn-Sham energy densities by Nakai and coworkers, we extended the energy density analysis to linear-response time-dependent density functional theory (LR-TDDFT) calculations. Using ethylene-tetrafluoroethylene and oxyluciferin-water complexes as examples, distinctive distribution patterns were demonstrated for the excitation energy densities of local excitations (within a molecular fragment) and charge-transfer excitations (between molecular fragments). It also provided a simple way to compute the effective energy of both hot carriers (particle and hole) from charge-transfer excitations via an integration of the excitation energy density over the donor and acceptor grid points.
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http://dx.doi.org/10.1039/d0cp04207bDOI Listing
December 2020