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1.
Chemosphere ; 358: 141919, 2024 Jun.
Article En | MEDLINE | ID: mdl-38641291

The global concern surrounding pollution caused by phthalates is escalating, with dimethyl phthalate (DMP) emerging as one of the most prevalent contaminants within the phthalates (PAEs) category. Although the biodegradation of DMP is considered both safe and efficient, its underlying degradation mechanism is not yet fully elucidated, and the degradation performance can be somewhat inconsistent. To address this issue, our study isolated a DMP-degrading bacterium (DNM-S1) from a vegetable greenhouse. The resulting data revealed that DNM-S1 exhibited a remarkable degradation performance, successfully degrading 84.98% of a 2000 mg L-1 DMP solution within 72 h. Remarkably, it achieved complete degradation of a 50 mg L-1 DMP solution within just 3 h. DMP degradation by DNM-S1 was also found to be efficient even under low-temperature conditions (10 °C). Our research further indicates that DNM-S1 is capable of capturing DMP through the ester bond in the bacterium's cell wall fatty acids, forming hydrogen bonds through hydrophobic interactions. The DMP was then transported into the DNM-S1 protoplasm using an active transport mechanism. Interestingly, the secondary metabolites of DNM-S1 contained natural carotenoids, which could potentially counteract the damaging effects of PAEs on cell membrane permeability. In summary, these findings highlight the potential of DNM-S1 in addressing PAEs pollution and provide new insights into the metabolic mechanism of PAEs degradation.


Biodegradation, Environmental , Phthalic Acids , Phthalic Acids/metabolism , Bacteria/metabolism
2.
CEN Case Rep ; 13(1): 59-65, 2024 02.
Article En | MEDLINE | ID: mdl-37273129

Calciphylaxis, also known as Calcific uremic arteriolopathy (CUA), is a serious disorder that presents with skin necrosis due to calcification of dermal and subcutaneous adipose tissue capillaries and arterioles. The condition occurs primarily in patients with end-stage renal disease (ESRD) on dialysis, and it carries high morbidity and mortality, primarily due to sepsis, with an estimated six-month survival of approximately 50%. Although there are no high-quality studies to guide the optimal treatment approach for patients with calciphylaxis, many retrospective studies and case series support treatment with sodium thiosulfate (STS). Despite the frequent use of STS as an off-label treatment, data regarding its safety and efficacy are limited. STS has generally been considered a safe drug with mild side effects. However, severe metabolic acidosis associated with STS is a rare and life-threatening complication of STS treatment and is often unpredictable. Herein, we report a 64-year-old female with ESRD on peritoneal dialysis (PD) who presented with a profound high anion gap metabolic acidosis and severe hyperkalemia while on STS treatment for CUA. No other etiology for her severe metabolic acidosis other than STS was identified. ESRD patients receiving STS should be monitored closely for this side effect. Dose reduction, increasing the duration of infusion, or even discontinuing STS treatment should be considered if severe metabolic acidosis develops.


Acidosis , Calciphylaxis , Kidney Failure, Chronic , Thiosulfates , Female , Humans , Middle Aged , Calciphylaxis/diagnosis , Calciphylaxis/drug therapy , Calciphylaxis/etiology , Renal Dialysis/adverse effects , Retrospective Studies , Kidney Failure, Chronic/complications , Kidney Failure, Chronic/therapy , Acidosis/etiology
3.
Appl Biochem Biotechnol ; 196(1): 32-49, 2024 Jan.
Article En | MEDLINE | ID: mdl-37097401

Quercetin is a kind of flavonol compound, which has been widely concerned because of its good pharmacological effects. However, its poor water solubility and poor oral absorption limit its application. To address the above problems, the optimal technological conditions for preparing quercetin-loaded chitosan sodium alginate nanoparticles (Q-CSNPs) were obtained through single-factor experiment method. Q-CSNPs were characterized by particle size analyzer, scanning electron microscope (SEM), transmission electron microscope (TEM), and Fourier transform infrared spectroscopy (FTIR). Biofilm experiment evaluated the antibacterial activity of five different concentrations of Q-CSNPs against Escherichia coli and Staphylococcus aureus. DPPH and hydroxyl radical scavenging experiments determined their antioxidant activity. The effect of Q-CSNPs labeled with FITC on the oxidative stress of planarian was determined. The results showed that quercetin was successfully encapsulated and had good antibacterial and antioxidant capacity in vitro. In vivo experiments of planarians also showed that Q-CSNPs could inhibit the oxidative stress induced by lipopolysaccharide (LPS) and especially alleviate the decrease of CAT activity and the increase of MDA content in planarians induced by LPS. After being supported by future in vivo studies, this preparation will provide research possibilities for the development of quercetin nano-drugs, quercetin dietary supplement, and so on.


Chitosan , Nanoparticles , Planarians , Animals , Quercetin/pharmacology , Quercetin/chemistry , Lipopolysaccharides/pharmacology , Antioxidants/pharmacology , Antioxidants/chemistry , Oxidative Stress , Anti-Bacterial Agents/pharmacology , Anti-Bacterial Agents/chemistry , Chitosan/pharmacology , Chitosan/chemistry , Nanoparticles/chemistry , Biofilms , Particle Size
4.
J Med Chem ; 66(23): 16032-16050, 2023 12 14.
Article En | MEDLINE | ID: mdl-38031326

Cytochrome P450 1B1 (CYP1B1) is induced during the early stage of cancer and is universally overexpressed in tumors. Thus, it was considered as a potential biomarker for the monitoring of cancer. In this study, we designed and synthesized CYP1B1-targeted near-infrared (NIR) fluorescence molecular probes based on the latest reported open conformation of the CYP1B1-α-naphthoflavone (ANF) complex. According to the architecture of the open channel, we introduced linkers and a Cy5.5 fragment at the 5' position of ANF derivatives with strong CYP1B1 inhibitory activity to obtain probes 19-21. Then, in vitro cell-based studies showed that the probes could be enriched in tumor cells by binding to CYP1B1. During in vivo and ex vivo imaging in a xenograft mouse model, probe 19 with the best binding affinity was proven to be able to identify tumor sites in both fluorescence imaging and photoacoustic imaging modes.


Colorectal Neoplasms , Humans , Animals , Mice , Cytochrome P-450 CYP1B1/chemistry , Colorectal Neoplasms/diagnostic imaging , Colorectal Neoplasms/pathology , Molecular Probes , Molecular Imaging
5.
Ying Yong Sheng Tai Xue Bao ; 34(5): 1297-1304, 2023 May.
Article En | MEDLINE | ID: mdl-37236947

To improve the utilization efficiency of nutrients and water and determine the best drip irrigation frequency for long-season tomato cultivation in solar greenhouses, we cultivated tomato grafted seedlings in soil using an integrated water and fertilizer technology: drip irrigation under mulch. Seedlings drip-irrigated with balanced fertilizer (containing 20% N, 20% P2O5, and 20% K2O) and high-K fertilizer (containing 17% N, 8% P2O5, and 30% K2O) once every 12 days were set as control (CK) and that with water once every 12 days as CK1, while other seedling groups, drip-irrigated with a nutrient solution of Yamazaki (1978) formula for tomato, were set as treatments (T1-T4). There were four drip-irrigation frequencies, i.e., once every 2 days (T1), 4 days (T2), 6 days (T3), or 12 days (T4), who received the same total amounts of fertilizer and water over the 12 experimental days. The results showed that, with the decreases of drip irrigation frequency, tomato yield, the accumulation of N, P and K in plant dry matter, the fertilizer partial productivity, and the nutrient utilization rate first increased and then decreased, peaking at the T2 treatment. Compared with CK, under the T2 treatment, plant dry matter accumulation and the accumulation of N, P and K increased by 4.9%, 8.0%, 8.0%, 16.8%, the partial productivity of fertilizer and the utilization efficiency of water increased by 142.8% and 12.2%, the use efficiency of N, P and K was better than CK by 241.4%, 466.6% and 235.9%, respectively, and the tomato yield increased by 12.2%. Under the experimental conditions, drip irrigation with the Yamazaki nutrient solution at a frequency of 4 days could increase the tomato yield, as well as the use efficiency of nutrients and water. Under long-season cultivation, these trends would result in considerable saving of water and fertilizer. Overall, our findings provided a basis for improving the scientific management of water and fertilizers under long-season tomato cultivation in protected facilities.


Solanum lycopersicum , Fertilizers/analysis , Seasons , Nitrogen/analysis , Soil , Water , Nutrients , Agricultural Irrigation/methods
6.
Opt Lett ; 48(5): 1172-1175, 2023 Mar 01.
Article En | MEDLINE | ID: mdl-36857241

A multiple microwave frequency measurement approach based on frequency-to-time mapping (FTTM) is reported. The FTTM is constructed by optical sideband sweeping and electric-domain intermediate frequency envelope monitoring. Two optimized operations are implemented. First, the use of balanced photodetection cancels out the beat components generated by the signals under test (SUT) themselves, so as to exclude frequency misjudgment. Second, a reference signal is introduced to map the SUT frequency to a relative time difference instead of an absolute time value, avoiding the measuring bias caused by time synchronization. As a result, the proposed scheme with improved robustness could be attractive for future practical applications. An experiment is performed. Microwave frequency measurement from 16 to 26 GHz is demonstrated, with an average error of 7.53 MHz.

7.
Micromachines (Basel) ; 14(2)2023 Jan 28.
Article En | MEDLINE | ID: mdl-36838039

A photonic approach to the cancellation of self-interference in the optical domain with fiber dispersion immunity and harmonic frequency down-conversion function is proposed based on an integrated, dual-parallel, dual-drive Mach-Zehnder modulator (DP-DMZM). A dual-drive Mach-Zehnder modulator (DMZM) is used as an optical interference canceller, which cancels the self-interference from the impaired signal before fiber transmission to avoid the effect of fiber transmission on the cancellation performance. Another DMZM is used to provide carrier-suppressed, local-oscillation (LO)-modulated, high-order double optical sidebands for harmonic frequency down-conversion to release the strict demand for high-frequency LO sources. By regulating the DC bias of the main modulator, the signal of interest (SOI) can be down-converted to the intermediated frequency (IF) band after photoelectric conversion with improved frequency-conversion efficiency, immunity to the fiber-dispersion-induced power-fading (DIPF) effect, and effective signal recovery. Theoretical analyses and simulation results show that the desired SOI in the X and K bands with a bandwidth of 500 MHz and different modulation formats can be down-converted to the IF frequency. The self-interference noise with the 2 GHz bandwidth is canceled, and successful signal recovery is achieved after a 10 km fiber transmission. The recovery performance of down-converted signals and the self-interference cancellation depth under different interference-to-signal ratios (ISRs) is also investigated. In addition, the compensation performance of DIPF is verified, and a 6 dB improvement in frequency conversion gain is obtained compared with previous work. The proposed scheme is compact, cost-effective, and thus superior in wideband self-interference cancellation, long-range signal transmission, and effective recovery of weak desired signals.

8.
Micromachines (Basel) ; 14(2)2023 Feb 15.
Article En | MEDLINE | ID: mdl-36838157

A novel scheme that can simultaneously measure the Doppler frequency shift (DFS) and angle of arrival (AOA) of microwave signals based on a single photonic system is proposed. At the signal receiving unit (SRU), two echo signals and the reference signal are modulated by a Sagnac loop structure and sent to the central station (CS) for processing. At the CS, two low-frequency electrical signals are generated after polarization control and photoelectric conversion. The DFS without direction ambiguity and wide AOA measurement can be real-time acquired by monitoring the frequency and power of the two low-frequency electrical signals. In the simulation, an unambiguous DFS measurement with errors of ±3 × 10-3 Hz and a -90° to 90° AOA measurement range with errors of less than ±0.5° are successfully realized simultaneously. It is compact and cost-effective, as well as has enhanced system stability and improved robustness for modern electronic warfare systems.

9.
Appl Opt ; 61(28): 8462-8466, 2022 Oct 01.
Article En | MEDLINE | ID: mdl-36256161

The Sagnac effect is an important factor that leads to nonreciprocity in long-haul fiber-optic time and a frequency transfer system. For high-precision time transfer, correction must be performed to eliminate the time difference based on the trajectory of the path. However, the routing information may be not detailed enough to guarantee sufficient precision for Sagnac correction. Thus, nodes along the path must be surveyed with a certain sparsity. We provide a practical method for estimating the average distance of these nodes. Six simulated paths are generated to validate the method for different uncertainties.

10.
World J Clin Cases ; 10(19): 6446-6455, 2022 Jul 06.
Article En | MEDLINE | ID: mdl-35979305

BACKGROUND: Colorectal cancer remains a considerable challenge in healthcare nowadays. Approximately 60%-80% of colorectal cancer is caused by intestinal polyps, and resection of intestinal polyps has been proved to reduce the incidence of colorectal cancer. The vast majority of intestinal polyps can be found during colonoscopy and removed endoscopically. Therefore, more attention has been paid to the development of endoscopic resection of intestinal polyps. In this study, we compared the efficacy and safety of cold snare polypectomy (CSP) and hot snare polypectomy (HSP). AIM: To investigate the efficacy and safety of CSP and HSP for colorectal polyps. METHODS: Between January and December 2020, 301 patients with colorectal polyps 4-9 mm in diameter were treated with endoscopic therapy in our hospital, and were divided into the CSP group (n = 154) and HSP group (n = 147). The operating time, incidence of bleeding and perforation, use of titanium clips, and complete resection rate were compared between the two groups. RESULTS: We included 249 patients (301 polyps). No differences in gender, age, and polyp size, location, shape and type were observed between the CSP and HSP groups, and the resection rates in these two groups were 93.4% and 94.5%, respectively, with no significant difference. The use of titanium clips was 15.6% and 95.9%, the operating time was 3.2 ± 0.5 min and 5.6 ± 0.8 min, the delayed bleeding rate was 0% and 2.0%, and delayed perforation was 0% and 0.7%, in the CSP and HSP groups, respectively. CONCLUSION: For sessile colorectal polyps < 10 mm, CSP had the same resection rate of impaired tissue integrity as traditional HSP had. The rate of complications was lower in the CSP group. CSP is a safe and effective method for polypectomy.

11.
Chembiochem ; 23(14): e202200268, 2022 07 19.
Article En | MEDLINE | ID: mdl-35567365

Cytochrome P450 (CYP) 1B1 has been found to be overexpressed specifically in tumor tissues at an early stage, which makes it a potential cancer biomarker for molecular imaging. Multimodal imaging combines different imaging modalities and offers more comprehensive information. Thus, imaging probes bearing more than one kind of signal fragment have been extensively explored and display great promise. Herein, we developed a near infrared (NIR) probe with a chelator moiety targeting CYP1B1 by conjugating α-naphthoflavone (ANF) derivatives with both an NIR dye and a chelator for potential application in bimodal imaging. Enzymatic inhibitory studies demonstrated inhibitory activity against CYP1B1 and selectivity among CYP1 were successfully retained after chemical modification. Cell-based saturation studies indicated nanomolar range binding affinity between the probe and CYP1B1 overexpressed cancer cells. In vitro competitive binding assays monitored by confocal microscopy revealed that the probe could specifically accumulate in tumor cells. In vivo and ex vivo imaging studies demonstrated that the probe could effectively light-up the tumor tissues as early as 2 hours post-injection. In addition, the fluorescence was significantly blocked by co-injection of CYP1B1 inhibitor, which indicated the probe accumulation in tumor sites was due to specific binding to CYP1B1.


Chelating Agents , Optical Imaging
12.
Cureus ; 14(1): e21251, 2022 Jan.
Article En | MEDLINE | ID: mdl-35178310

Serum-ascites albumin gradient (SAAG) is an initial and useful measure to differentiate causes of ascites. High gradient ascites (SAAG >1.1 g/dL) is one of the important features of heart failure. Low gradient ascites in heart failure is relatively rare and needs additional workups to rule out other serious causes, such as malignancy and infection. We herein report a case of a 42-year-old female with low-SAAG ascites from worsening congestive heart failure, which was confirmed to be portal hypertension-originated by triphasic abdominal computed tomography.

13.
Anticancer Agents Med Chem ; 22(2): 261-269, 2022.
Article En | MEDLINE | ID: mdl-33820523

BACKGROUND: Cytochrome P450 1B1 (CYP1B1) is specifically expressed in a variety of tumors which makes it a promising imaging target of tumor. OBJECTIVE: We aimed to design and synthesize CYP1B1 targeted chelators for the potential application in positron emission tomography (PET) imaging of tumor. METHODS: 1,4,7-triazacyclononane-1,4-diiacetic acid (NODA) was connected to the CYP1B1 selective inhibitor we developed before through polyethylene glycol (PEG) linkers with different lengths. The inhibitory activities of chelators 6a-c against CYP1 family were evaluated by 7-ethoxyresorufin o-deethylation (EROD) assay. The manual docking between the chelators and the CYP1B1 was conducted subsequently. To determine the binding affinities of 6a-c to CYP1B1 in cells, we further performed a competition study at the cellular level. RESULTS: Among three chelators, 6a with the shortest linker showed the best inhibitory activity against CYP1B1. In the following molecular simulation study, protein-inhibitor complex of 6a showed the nearest F-heme distance which is consistent with the results of enzymatic assay. Finally, the cell based competitive assay proved the binding affinity of 6a-c to CYP1B1 enzyme. CONCLUSION: We designed and synthesized a series of chelators which can bind to CYP1B1 enzyme in cancer cells.To our knowledge, this work is the first attempt to construct CYP1B1 targeted chelators for radiolabeling and we hope it will prompt the application of CYP1B1 imaging in tumor detection.


Chelating Agents/pharmacology , Cytochrome P-450 CYP1B1/antagonists & inhibitors , Drug Design , Heterocyclic Compounds/pharmacology , Binding Sites/drug effects , Cell Line, Tumor , Chelating Agents/chemical synthesis , Chelating Agents/chemistry , Cytochrome P-450 CYP1B1/metabolism , Dose-Response Relationship, Drug , Heterocyclic Compounds/chemical synthesis , Heterocyclic Compounds/chemistry , Humans , Models, Molecular , Molecular Structure , Structure-Activity Relationship
14.
Blood Purif ; 51(1): 31-37, 2022.
Article En | MEDLINE | ID: mdl-34107477

AIM: This study aimed to evaluate the efficacy of the resin hemoperfusion device (HA380 hemoperfusion cartridge) on inflammatory responses during adult cardiopulmonary bypass (CPB). METHODS: Sixty patients undergoing surgical valve replacement were randomized into the HP group (n = 30) with an HA380 hemoperfusion cartridge in the CPB circuit or the control group (n = 30) with the conventional CPB circuit. The results of routine blood tests, blood biochemical indexes, and inflammatory factors were analyzed at V0 (pre-CPB), V1 (CPB 30 min), V2 (ICU 0 h), V3 (ICU 6 h), and V4 (ICU 24 h). RESULTS: The HP group had significantly lower levels of IL-6, IL-8, and IL-10. Significant estimation of group differences in the generalized estimating equation (GEE) models was also observed in IL-6 and IL-10. The HP group had significantly lower levels of creatinine (Cr), aminotransferase (AST), and total bilirubin (TBil) compared to the control group. The estimation of differences of Cr, AST, and TBil all reached statistical significance in GEE results. The HP group had significantly less vasopressor requirement and shorter mechanical ventilation time and ICU stay time as compared to the control group. CONCLUSION: The HA380 hemoperfusion cartridge could effectively reduce the systemic inflammatory responses and improve postoperative recovery of patients during adult CPB.


Cardiopulmonary Bypass/instrumentation , Hemoperfusion/instrumentation , Inflammation/etiology , Adult , Female , Hemodynamics , Humans , Inflammation/blood , Interleukin-10/blood , Interleukin-6/blood , Male , Middle Aged
15.
Exp Ther Med ; 23(1): 1, 2022 Jan.
Article En | MEDLINE | ID: mdl-34815753

Long non-coding (lnc) RNAs in circulating exosomes are a new class of promising cancer biomarkers; however, their expression in exosomes derived from gastric high-grade intraepithelial neoplasia (GHGIN) has not been reported. In the present study, differentially expressed (DE) lncRNAs were analyzed in the peripheral blood collected from 5 patients with GHGIN and 5 healthy donors using high-throughput sequencing. Reverse transcription-quantitative PCR analysis was performed on 6 randomly selected DE lncRNAs to validate the reliability of the sequencing results. The potential roles of the DE lncRNAs in GHGIN were investigated using Gene Ontology (GO) and Kyoto Encyclopedia of Gene and Genome (KEGG) pathway enrichment analyses. A total of 25,145 lncRNAs were identified in all the samples and 83 DE lncRNAs were further screened, including 76 upregulated and 7 downregulated DE lncRNAs. GO and KEGG analyses predicted that the DE lncRNAs played notable roles in 'protein/macromolecule glycosylation', 'regulation of protein ubiquitination', 'renin-angiotensin system' and 'MAPK signaling pathways'. A lncRNA-micro (mi)RNA-mRNA interaction network was constructed and used to perform association analyses. It was found that 83 lncRNAs were abnormally expressed in GHGIN, with some potential functions associated with gastric cancer. Furthermore, the lncRNA-miRNA-mRNA interaction network indicated that 7 DE lncRNAs may play a notable role in the occurrence and development of GHGIN. The results of the present study showed the expression profiles of lncRNAs in human GHGIN, elucidated some of the molecular changes associated with GHGIN and improved the understanding of the molecular mechanisms underlying GHGIN and gastric cancer.

16.
Front Aging Neurosci ; 13: 705030, 2021.
Article En | MEDLINE | ID: mdl-34675796

Background: Hippocampal atrophy is a characteristic of Alzheimer's disease (AD). However, alterations in structural connectivity (number of connecting fibers) between the hippocampus and whole brain regions due to hippocampal atrophy remain largely unknown in AD and its prodromal stage, amnestic mild cognitive impairment (aMCI). Methods: We collected high-resolution structural MRI (sMRI) and diffusion tensor imaging (DTI) data from 36 AD patients, 30 aMCI patients, and 41 normal control (NC) subjects. First, the volume and structural connectivity of the bilateral hippocampi were compared among the three groups. Second, correlations between volume and structural connectivity in the ipsilateral hippocampus were further analyzed. Finally, classification ability by hippocampal volume, its structural connectivity, and their combination were evaluated. Results: Although the volume and structural connectivity of the bilateral hippocampi were decreased in patients with AD and aMCI, only hippocampal volume correlated with neuropsychological test scores. However, positive correlations between hippocampal volume and ipsilateral structural connectivity were displayed in patients with AD and aMCI. Furthermore, classification accuracy (ACC) was higher in AD vs. aMCI and aMCI vs. NC by the combination of hippocampal volume and structural connectivity than by a single parameter. The highest values of the area under the receiver operating characteristic (ROC) curve (AUC) in every two groups were all obtained by combining hippocampal volume and structural connectivity. Conclusions: Our results showed that the combination of hippocampal volume and structural connectivity (number of connecting fibers) is a new perspective for the discrimination of AD and aMCI.

17.
Int J Gen Med ; 14: 4161-4170, 2021.
Article En | MEDLINE | ID: mdl-34385836

PURPOSE: The etiology and pathophysiology of endometriosis remain unclear. Current research indicates long noncoding RNA (lncRNA) may play an important role in the pathogenesis and development of endometriosis. However, the molecular mechanism of lncRNA in endometriosis is far from clear. PATIENTS AND METHODS: The lncRNA and mRNA expression of 8 patients with ovarian endometriosis were determined by high-throughput RNA sequencing (8 ectopic endometria samples vs 8 eutopic endometria samples), and miRNA expression profiles were obtained from our previous study. Then a lncRNA-associated competing endogenous RNA (ceRNA) network was constructed by combining the regulatory interaction and negative co-expression interaction between the differentially expressed lncRNAs/mRNAs and miRNAs by different rules. RESULTS: The constructed lncRNA-related ceRNA network was composed of two separate networks, network 1 including 14,137 dysregulated lncRNA-mRNA interactions, referring to 242 lncRNAs, 55 miRNAs and 1600 mRNAs, network 2 including 4459 dysregulated lncRNA-mRNA interactions, referring to 111 lncRNAs, 39 miRNAs and 1151 mRNAs. The top six hub lncRNAs (LINC01140, MSC-AS1, HAGLR, CKMT2-AS1, JAKMIP2-AS1, AL365361.1) in the significant ternary relationship of mRNA-miRNA-lncRNA in network 1, and the top six hub lncRNAs (PAX8-AS1, MIR17HC, PART1, HOXA-AS3, PLAC4, LINC00511) in the significant ternary relationship of mRNA-miRNA-lncRNA in network 2 were selected. Functional enrichment analysis of these lncRNA-related mRNAs indicated that the lncRNAs in network 1 mainly take part in positive regulation of phagocytosis, myeloid leukocyte activation, and tissue remodeling, while the lncRNAs in network 2 mainly take part in negative regulation of cell proliferation, blood vessel development and regulation of epithelial cell differentiation, which is consistent with the results obtained from the different rules to construct the networks. CONCLUSION: lncRNA-related ceRNA network analysis recognized key lncRNAs related to the development of endometriosis.

18.
J Chem Inf Model ; 61(3): 1275-1286, 2021 03 22.
Article En | MEDLINE | ID: mdl-33656342

As an emerging immune checkpoint, CD73 has received more attention in the past decade. Inhibition of CD73 enzymatic activity can enhance antitumor immunity. Several CD73 inhibitors have been identified by in vitro assays in recent years, but they remain premature for clinical application, indicating that more novel CD73 inhibitors should be studied. Herein, we aimed to identify novel CD73 inhibitors that hopefully are suitable drug candidates by using computer-aided drug discovery and enzymatic-based assays. Five-hundred molecules with high binding affinity were retrieved from the Chemdiv-Plus database by using a structure-based virtual screening approach. Then, we analyzed the drug properties of these molecules and obtained 68 small molecules based on the oral noncentral nervous system (CNS) drug profile. The inhibition rates of these molecules against CD73 enzymatic activities were determined at a concentration of 100 µM, and 20 molecules had an inhibition rate greater than 20%, eight of which were dose-dependent, with IC50 values of 6.72-172.1 µM. Among the screening hits, phelligridin-based compounds had the best experimental inhibition values. Modeling studies indicate that the phelligridin group is sandwiched by the rings of F417 and F500 residues. The identified inhibitors have a molecular weight of approximately 500 Dal and are predicted to form primarily hydrogen bonds with CD73 in addition to hydrophobic stacking interactions. In conclusion, novel inhibitors with satisfactory drug properties may serve as lead compounds for the development of CD73-targeting drugs, and the binding modes may provide insight for phelligridin-based drug design.


Drug Design , Drug Discovery , Humans , Hydrogen Bonding , Hydrophobic and Hydrophilic Interactions , Molecular Docking Simulation
19.
Environ Pollut ; 272: 116024, 2021 Mar 01.
Article En | MEDLINE | ID: mdl-33187840

We collected 170 samples of airborne fine particulate matter from five coal-producing cities and one oil-producing city in northern China during both heating and non-heating periods to quantify the concentrations of 12 polycyclic aromatic hydrocarbons, estimate their bioaccessible fraction, and calculate the incremental lifetime cancer risk (ILCR) of this fraction. The major sources of the particulate matter were analyzed using the chemical mass balance model. We found that the main emission sources were coal combustion during the heating period and open sources during the non-heating period. The ILCR was initially calculated as 2.65 × 10-9 for coal-producing cities and 4.60 × 10-9 for the oil-producing city during the heating period and 1.17 × 10-8 and 3.34 × 10-8, respectively, during the non-heating period. When only the bioaccessible fraction was used, the ILCR in coal-producing cities and the oil-producing city decreased by 87.2% and 82.1%, respectively, for the heating period and by 89.0% and 80.1%, respectively, for the non-heating period. The findings suggest that bioaccessibility should be considered when assessing the carcinogenic risk of polycyclic aromatic hydrocarbons. This study provides insights into the contribution of major emission sources to air pollution related to the long-term exploitation, transportation, and use of coal and oil.


Air Pollutants , Polycyclic Aromatic Hydrocarbons , Air Pollutants/analysis , China , Cities , Coal/analysis , Environmental Monitoring , Particulate Matter/analysis , Polycyclic Aromatic Hydrocarbons/analysis , Risk Assessment
20.
Environ Pollut ; 270: 116074, 2021 Feb 01.
Article En | MEDLINE | ID: mdl-33221086

The main of this work investigated the levels, emission sources, and associated health risks of ambient volatile organic compounds (VOCs) closed urban traffic trunk from June 2017 to November 2018. The seasonal variation trend for total VOCs (TVOCs) concentrations was autumn > winter > summer > spring. During the daily fluctuations in summer, the TVOC concentrations appeared to be the highest at midnight and the lowest at 14:00. In spring, autumn, and winter, the concentrations of TVOCs reached the highest levels at 06:00 and dropped to the lowest levels at 14:00 to 15:00; then, the levels increased after 20:00. Aromatics were the most important types of ambient VOCs for the formation of secondary organic aerosols (SOAs). The Positive Matrix Factorization (PMF) source analysis indicated that the traffic emission accounted for 28.9% of TVOCs, followed by combustion (24.7%), industrial (21.3%), gasoline volatilization (12.4%), and solvent (11.7%) sources. Carcinogenic and non-carcinogenic risks via inhalation exposure to the selected 10 toxic VOCs may be of more concern for residents nearby traffic trunk in Harbin in autumn.


Air Pollutants , Volatile Organic Compounds , Air Pollutants/analysis , China , Environmental Monitoring , Vehicle Emissions/analysis , Volatile Organic Compounds/analysis
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