Publications by authors named "Ping Ning"

99 Publications

Cu/HZSM-5 Sorbent Treated by NH Plasma for Low-Temperature Simultaneous Adsorption-Oxidation of HS and PH.

ACS Appl Mater Interfaces 2021 Jun 21;13(21):24670-24681. Epub 2021 May 21.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming 650500, P. R. China.

In this study, an NH plasma-treated Cu/HZSM-5 sorbent was introduced to simultaneously remove HS and PH in low-temperature and low-oxygen environments. The effects of the Cu loading amounts, modification methods, and plasma-treatment conditions on the adsorption-oxidation performance of the sorbents were investigated. From the performance test results, the sorbent treated by NH plasma with the specific energy input (SEI, electrical input energy to the unit volume of gas) value of 1 J·mL (Cu/HZSM-5-[S1]) was identified as having the highest breakthrough capacities of 108.9 mg S·g and 150.9 mg P·g among all of the materials tested. After three times of regeneration, the sorbent can still maintain the ideal performance. The results of Fourier transform infrared (FT-IR) spectroscopy and CO temperature-programmed desorption (CO-TPD) indicated that the NH plasma treatment can introduce amino groups (functional groups) onto the sorbent surface, which greatly increases the number and strength of the basic sites on the sorbent surface. Results of N adsorption/desorption isotherms and scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS) showed that the morphology of the sorbent changed after the plasma treatment, which exposed more active sites (copper species). In situ IR spectra showed that the amino groups are continuously consumed during the reaction process, indicating that these amino groups can help sorbents to capture gas molecules. Moreover, X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analyses indicated that CuO is the main active species and the consumption of CuO and accumulation of the reaction products on the surface and inner pores of the sorbent are the primary reasons for the deactivation of the sorbent.
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http://dx.doi.org/10.1021/acsami.1c02584DOI Listing
June 2021

Influence of drying and calcination temperatures for Ce-Cu-Al trimetallic composite catalyst on simultaneous removal HS and PH: Experimental and DFT studies.

J Environ Sci (China) 2021 Jun 23;104:277-287. Epub 2020 Dec 23.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming 650500, China. Electronic address:

This work explored the influences of the drying and calcination temperatures on a Ce-Cu-Al trimetallic composite catalyst for the simultaneous removal of HS and PH. The effects of both temperatures on the structural features and activity were examined. The density functional theory method was used to calculate adsorption energies and further analyze their adsorption behavior on different slabs. Experiments revealed suitable drying and calcination temperatures to be 60 and 500°C, respectively. The capacity reached 323.8 and 288.1 mg/g. Adjusting drying temperature to 60°C is more inclined to form larger and structured grains of CuO. Rising calcinating temperature to 500°C could increase the grain size and redox capacity of CuO to promote performance. Higher temperatures would destroy the surface structure and lead to a crystal phase transformation, which was that the CuO and AlO were gradually recombined into CuAlO with a spinel structure. The exposed crystal planes of surficial CuO and CuAlO were determined according to characterization results. Calculation results showed that, compared with CuO (111), HS and PH have weaker adsorption strength on CuAlO (100) which is not conducive to their adsorption and removal.
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http://dx.doi.org/10.1016/j.jes.2020.12.001DOI Listing
June 2021

Synergetic effect between Fe and Ti species on Fe-Ti-O for hydrogen cyanide purification.

Environ Technol 2021 May 17:1-7. Epub 2021 May 17.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, People's Republic of China.

The Fe-Ti-O catalysts with the different Fe contents were used for the catalytic hydrolysis of hydrogen cyanide (HCN) in the presence of HO, which investigated the roles of Fe chemical valence and oxygen species in HCN removal and the production (NH and CO). The results implied that more amounts of Fe species over Fe-Ti-Ox could increase the catalytic hydrolysis activity of HCN while Fe species contributed to the formation of NH3 at high temperatures. Furthermore, the abundance of surface oxygen species was in favour of the catalytic performance of HCN.
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http://dx.doi.org/10.1080/09593330.2021.1924289DOI Listing
May 2021

Removal of SO from smelting flue gas by using copper tailings with MnSO: factors optimization by response surface methodology.

Environ Sci Pollut Res Int 2021 Apr 28. Epub 2021 Apr 28.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500, China.

The abatement of SO and the utilization of copper tailings are identified as two attention-attracting environmental issues in the copper smelter. In this study, to improve the flue gas desulfurization performance and the utilization of copper tailings, SO removal from smelting flue gas by using copper tailings combined with MnSO·HO was investigated. The effects of operation variables, including inlet SO concentration, absorption temperature, slurry concentration, and MnSO·HO amount, on the flue gas desulfurization performance were studied based on the response surface method. It was found that the effect of operation variables on SO removal follows the descending order: the inlet SO concentration, MnSO·HO concentration, absorbent temperature, and solid-liquid ratio. The interaction between the inlet SO concentration and MnSO·HO concentration is an important factor for breakthrough sulfur capacity. Elevated temperature and high initial SO concentration inhibited the efficient removal of SO. Moreover, a proposed equation exhibits good consistency in the prediction for the breakthrough sulfur dioxide capacity. Therefore, the results can provide a reliable reference and basis for industrial application for flue gas desulfurization with copper tailings.
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http://dx.doi.org/10.1007/s11356-021-13990-8DOI Listing
April 2021

Pregnancy Associated Granulomatous Mastitis: Clinical Characteristics, Management, and Outcome.

Breastfeed Med 2021 Apr 19. Epub 2021 Apr 19.

Department of Breast, Chengdu Women's and Children's Central Hospital, School of Medicine, University of Electronic Science and Technology of China, Chengdu, China.

We have already known that idiopathic granulomatous mastitis (IGM) is a rare benign chronic inflammatory disorder that can clinically mimic breast carcinoma, especially affects parous women of childbearing age, but there is little literature to report about pregnancy associated granulomatous mastitis (PAGM). The aim of our study is to report and describe the clinical signs, managements, clinical course, and clinical outcomes after treatment of PAGM in our hospital. We retrospectively analyzed 15 pregnant patients who were diagnosed as PAGM in our hospital collected from December 2018 to December 2020 by reviewing medical records and questionnaire survey, including the patients' characteristics, clinical presentations, microbiological workups, tissue pathology, treatment modalities, outcomes, and follow-up data. The mean age of these patients at diagnosis was 30.5 (range 24-35) years. All patients had one birth before, and had at least two gravida times, 6 of them (40%) had three gravida times, and only one of them had four gravida times at diagnosis. The mean weeks of gestational age were 23.7 (range 4-37) weeks. Two patients' BMI were greater than 30, which were considered obese. The mean time to presentation since last delivery was 38.4 (range 19-78) months. All patients had a history of breastfeeding; the average breastfeeding time was 12.97 months. Just 2 of them were diagnosed with lactational mastitis before. One patient smoked before, 1 patient had oral contraceptive pills before, 4 patients had breast trauma recently, 5 patients had positive bacterial culture of pyogenic fluids, 3 patients had nipple retraction, 6 patients had abnormal humoral immunity, shown as elevated C3 or C4, and 2 patients had elevated serum prolactin. All patients presented as a breast mass with pain; two of them had erythema nodosum and oligoarthritis. Nearly all patients had unilateral lesion. The mean follow-up was 11 (range 1-24) months. Thirteen patients gave birth to a healthy baby, and all babies had a healthy growth and development. Almost all patients chose observation during pregnancy. Nine patients demonstrated complete remission, five of them underwent surgery after steroids and/or antibiotics, one patient had observation alone, two chose postpartum steroids alone, and the last one chose postpartum antibiotics alone. The average time to complete remission was 11.2 (range 7-18) months. In general, PAGM is a much rare disorder which has onset during pregnancy, and mainly happens in the second trimester and the third trimester. PAGM patients were all parous women and generally within 5 years of their last pregnancy, also with uncertain etiology and pathogenesis. Observational therapy during pregnancy for PAGM is reliable and feasible.
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http://dx.doi.org/10.1089/bfm.2021.0023DOI Listing
April 2021

From wastes to functions: A paper mill sludge-based calcium-containing porous biochar adsorbent for phosphorus removal.

J Colloid Interface Sci 2021 Jul 9;593:434-446. Epub 2021 Mar 9.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, 650500 Kunming, China; Faculty of Civil Engineering and Mechanics, Kunming University of Science and Technology, Kunming, China. Electronic address:

With the increased awareness of reusing solid wastes for higher sustainability and the concern of water pollution associated with phosphorus over-emission, there are strong interests in developing solid waste based adsorbents for purifying phosphorus-containing wastewater. As a rich calcium resource, paper mill sludge (i.e., a major solid waste from pulping industry) can be used as phosphorus removal adsorbent after calcination. Thus, in this work, a simple and clean thermally treating route has been proposed for preparing calcium-containing biochar from paper mill sludge. The effect of the physicochemical properties of paper mill sludge and its carbonization condition on phosphorus adsorption has been analyzed. Moreover, the influence of some key adsorption parameters, e.g., biochar dosage, initial pH of solution, co-existing anions, initial phosphorus concentration and contact time has also been investigated. The results showed that the phosphorus adsorption data could be fitted well with pseudo-second-order kinetic and Langmuir isothermal models. The calculated maximum adsorption capacity of the as-prepared optimal calcium-containing biochar could reach to 68.49 mg·g at 25 °C. Combined with the characterization results, it can be reasonably inferred that the adsorption process was chemisorption-dominated. Lastly, the application of this spent adsorbent in agriculture field has also been discussed. In brief, this work provided a feasible strategy for converting paper mill solid waste to an environmental functional material (i.e., calcium-rich biochar) for remediation of eutrophic water.
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http://dx.doi.org/10.1016/j.jcis.2021.02.118DOI Listing
July 2021

Removal of elemental mercury by photocatalytic oxidation over LaO/BiO composite.

J Environ Sci (China) 2021 Apr 22;102:384-397. Epub 2020 Oct 22.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming 650500, China.

LaO/BiO photocatalysts were prepared by impregnation of BiO with an aqueous solution of lanthanum precursor followed by calcination at different temperatures. The composite materials were used for the first time for the photocatalytic removal of Hg from a simulated flue gas under UV light irradiation. The results showed that the sample containing 6 wt.% LaO and calcined at 500°C has the highest dispersion of the active sites, which was promoted by the strong interaction with the support (i.e., the formation of Bi-O-La species). Since they are fully accessible on the surface, the material also exhibits excellent optical properties while the heterojunction formed in LaO/BiO promotes the separation and migration of photoelectron-hole pairs and thus Hg oxidation efficiency is enhanced. The effects of the various factors (e.g., the reaction temperature and composition of the simulated flue gas (i.e., O, NO, HO, and SO)) on the efficiency of the Hg photocatalytic oxidation were investigated. The results demonstrated that O and SO enhanced the efficiency of the reaction while the reaction temperature, NO, and HO had an inhibitory effect.
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http://dx.doi.org/10.1016/j.jes.2020.09.037DOI Listing
April 2021

Invasive pleomorphic lobular carcinoma of the breast with multiple metastases: A case report.

Int J Surg Case Rep 2021 Mar 20;80:105581. Epub 2021 Jan 20.

Breast Department, Chengdu Women's and Children's Central Hospital, Chengdu, 610031, China. Electronic address:

Introduction And Importance: IPLC (Invasive Pleomorphic Lobular Carcinoma) accounts for less than 1% of breast cancer. To the best of our knowledge, this is one of the few reported cases in the IPLC with multiple metastases. The patient's general condition got improved after our treatment, which has a certain reference for the treatment of this kind of patient in the future.

Case Presentation: A 42-year-old female with IPLC and multiple metastases. The IPLC malignant cells were positive for p120 (cytoplasmic) and human epidermal growth factor receptor 2, negative for estrogen receptor, progesterone receptor, and E-cadherin. There were nodular enhancement foci in the liver, which are considered the metastatic lesions of the breast, and the liver function was abnormal. Multiple metastatic lesions of the vertebral body, appendage of the whole spine, and sternum. And C7, T1, and T9 vertebrae showed compression fractures.

Clinical Discussion: IPLC has systemic metastasis which molecular typing by immunohistochemistry is HER-2 overexpression can choose chemotherapy combined with targeted therapy to prolong the survival time and improve the quality of life of patients. The patient was followed up.

Conclusions: This paper reports a case of IPLC with multiple metastases and gives review literature. Our treatment of the patient can be a reference for other clinicians.
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http://dx.doi.org/10.1016/j.ijscr.2021.01.075DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7903291PMC
March 2021

First Report of Anthracnose of Papaya (Carica papaya L.) Caused by Colletotrichum siamense in China.

Plant Dis 2021 Feb 18. Epub 2021 Feb 18.

Guangxi Academy of Agricultural Sciences, Institute of plant protection, Nanning, Guangxi, China;

Papaya (Carica papaya L.) is a rosaceous plant widely grown in China, which is economically important. Anthracnose caused by Colletotrichum sp. is an important postharvest disease, which severely affects the quality of papaya fruits (Liu et al., 2019). During April 2020, some mature papaya fruits with typical anthracnose symptoms were observed in Fusui, Nanning, Guangxi, China with an average of 30% disease incidence (DI) and over 60% DI in some orchards. Initial symptoms of these papayas appeared as watery lesions, which turned dark brown, sunken, with a conidial mass appearing on the lesions under humid and warm conditions. The disease severity varied among fruits, with some showing tiny light brown spots, and some ripe fruits presenting brownish, rounded, necrotic and depressed lesions over part of their surface. Samples from two papaya plantations (107.54°E, 22.38°N) were collected, and brought to the laboratory. Symptomatic diseased tissues were cut into 5 × 5 mm pieces, surface sterilized with 2% (v/v) sodium hypochlorite for 1 minute, and rinsed three times with sterilized water. The pieces were then placed on potato dextrose agar (PDA). After incubation at 25°C in the dark for one week, colonies with uniform morphology were obtained. The aerial mycelium on PDA was white on top side, and concentric rings of salmon acervuli on the underside. A gelatinous layer of spores was observed on part of PDA plates after 7 days at 28°C. The conidia were elliptical, aseptate and hyaline (Zhang et al., 2020). The length and width of 60 conidia were measured for each of the two representative isolates, MG2-1 and MG3-1, and these averaged 13.10 × 5.11 μm and 14.45 × 5.95 μm. DNA was extracted from mycelia of these two isolates with the DNA secure Plant Kit (TIANGEN, Biotech, China). The internal transcribed spacer (ITS), partial actin (ACT), calmodulin (CAL), chitin synthase (CHS), β-tubulin 2 (TUB2) and glyceraldehyde 3-phosphate dehydrogenase (GAPDH) regions were amplified by PCR and sequenced. The sequences were deposited into GenBank with accessions MT904003, MT904004, and MT898650 to MT898659. BLASTN analyses against the GenBank database showed that they all had over 99% identity to the type strain of Colletotrichum siamense isolate ICMP 18642 (GenBank accession numbers JX010278, GQ856775, JX009709, GQ856730, JX010410, JX010019) (Weir et al., 2012). A phylogenetic tree based on the combined ITS, ACT, CAL, CHS, TUB2 and GAPDH sequences using the Neighbor-joining algorithm also showed that the isolates were C. siamense. Pathogenicity tests were conducted on 24 mature, healthy and surface-sterilized papaya fruits. On 12 papaya fruits, three well separated wounded sites were made for inoculation, and for each wounded site, six adjacent pinhole wounds were made in a 5-mm-diameter circular area using a sterilized needle. A 10 µl aliquot of 1 × 106 conidia/ml suspension of each of the isolates (MG2-1 and MG3-1) was inoculated into each wound. For each isolate, there were six replicate fruits. The control fruits were inoculated with sterile distilled water. The same inoculation was applied to 12 non-wound papaya fruits. Fruits were then placed in boxes which were first washed with 75% alcohol and lined with autoclaved filter paper moistened with sterilized distilled water to maintain high humidity. The boxes were then sealed and incubated at 28°C. After 10 days, all the inoculated fruits showed symptoms, while the fruits that were mock inoculated were without symptoms. Koch's postulates were fulfilled by re-isolation of C. siamense from diseased fruits. To our knowledge, this is the first report of C. siamense causing anthracnose of papaya in China. This finding will enable better control of anthracnose disease caused by C. siamense on papaya.
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http://dx.doi.org/10.1094/PDIS-10-20-2154-PDNDOI Listing
February 2021

First Report of Colletotrichum siamense Causing Leaf Spot on Alocasia macrorrhiza in China.

Plant Dis 2021 Jan 12. Epub 2021 Jan 12.

Guangxi Agricultural Vocation-Technical College, Department of Biotechnology, Nanning, Guangxi, China;

Alocasia macrorrhiza (L.) Schott, known as Alocasia is found in the Araceae, and is widely planted in southern China for its ornamental and medicinal value. This plant has a wide range of pharmacological effects, and has potential anti-tumor activity (Lei et al. 2013). In July of 2019, leaf spots were observed on A. macrorrhiza in the Xixiangtang Area, Nanning, Guangxi, China. Disease symptoms began with water-soaked yellow-green spots and progressed to form brown, round or oval lesions with yellow halos. Under severe conditions, spots merged into larger irregular lesions. More than 60% of the plants in a 0.5 ha field showed disease symptoms. Symptomatic leaves were collected and cut into small pieces (3×3 mm). Leaf pieces from the margin of the necrotic tissue were surface sterilized in 75% alcohol for 10 s, followed by 2% sodium hypochlorite solution for 2 min, then rinsed three times in sterile distilled water. Tissues were plated on potato dextrose agar (PDA) and incubated at 28°C for 5 days in the dark. Among over 30 isolates, most shared a similar morphology, the isolation rate of these was 86.7% and three of these (GY1-1A, GY1-1B, and GY1-1C) were chosen for single-spore purification and used for fungal morphological characterization and identification. White feathery aerial mycelia with olivaceous gray mycelia below were observed in 7-day cultures. After 14 days, orange conidia were observed. Conidia were hyaline, guttulate, smooth, one-celled, and cylindrical, averaged 13.79 μm × 5.26 μm, 13.89 μm × 5.33 μm and 13.92 μm × 5.42 μm for GY1-1A, GY1-1B and GY1-1C, respectively. Appressoria were mostly irregular in outline, deeply lobed or lightly lobed, gray brown to dark brown, conidial appressoria were 7.93 to 8.74 μm × 5.26 to 5.42 μm, mycelial appressoria were 7.15 to 10.11 μm × 5.60 to 7.44 μm. These morphological characteristics were similar to the C. siamense as previously described (Weir et al. 2012). The partial internal transcribed spacer (ITS) regions, actin (ACT), chitin synthase (CHS-1), glyceraldehydes-3-phosphate dehydrogenase (GAPDH), calmodulin (CAL), β-tubulin (TUB2), and the intergenic region of apn2 and MAT1-2-1 (ApMAT) were amplified from genomic DNA for the three isolates using primers ITS4/ITS1 (White et al. 1990), ACT-512F/ACT-783R, CHS-79F/CHS-354R, GDF1/GDR1, CL1C/CL2C, Bt2a/Bt2b (Weir et al. 2012), and AM-F/AM-R (Silva et al. 2012) and sequenced. All sequences showed over 99% identity with C. siamense and were deposited in GenBank (ITS, MW040179-MW040181; ACT, MW049220-MW049222; CHS-1, MW049229-MW049231; GAPDH, MW049232-MW049234; CAL, MW049226-MW049228; TUB, MW049235-MW049237; ApMAT, MW049223-MW049225). Maximum Likelihood (ML) phylogenetic tree was constructed with MEGA 5 using the concatenation of multiple sequences (ACT, CHS-1, GAPDH, ITS, TUB2, CAL). According to the phylogenetic tree, all three isolates were found with C. siamense with 95% bootstrap support. To confirm pathogenicity, three sets (three plants per set) of healthy leaves were slightly scratched with autoclaved toothpicks at each of eight locations. Each inoculation location was a cross (2 mm length) and inoculation location was at least 3 cm apart. Ten μl of conidial suspension (106 conidia /ml in 0.1% sterile Tween 20) was applied to the inoculation areas. A control group was mock inoculated with 0.1% sterile Tween 20. Plants were covered with plastic bags to maintain a high humidity environment and placed in a 28°C growth chamber with constant light for 7 days. Inoculated leaves showed yellowish brown spots (0.4 × 0.65 cm), but no symptoms were observed in the control group. The fungus was reisolated from inoculated leaves, and these isolates matched the molecular and morphological characteristics of the original isolates confirming Koch's postulates. Reported hosts of this pathogen include Coffea arabica, Carica papaya, Melilotus indicus and Litchi chinensis (Weir et al. 2012; Qin et al. 2017; Ling et al. 2019) and so on. To our knowledge, this is the first report of C. siamense causing leaf spot on A. macrorrhiza in China. The identification of this pathogen provides a foundation for the management of leaf spot on this medicinal plant.
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http://dx.doi.org/10.1094/PDIS-11-20-2361-PDNDOI Listing
January 2021

O oxidation excited by yellow phosphorus emulsion coupling with red mud absorption for denitration.

J Hazard Mater 2021 02 15;403:123971. Epub 2020 Sep 15.

Beijing Engineering Research Center of Process Pollution Control, National Engineering Laboratory for Hydrometallurgical Cleaner Production Technology, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China; Center for Excellence in Regional Atmospheric Environment, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021, China.

Directing to unwieldiness NOx emitted by the industry, the removal of NOx was implemented using yellow phosphorus (P) emulsion and red mud slurry as composite absorbent. Where yellow phosphorus is considered to stimulate formation of the ecological ozone (O) from O, the oxidation of insoluble NO into water-soluble NOx species by O, and the red mud as a pH buffer can be used to maintain the pH of the absorption liquid in a range that better absorbs NOx. NO is finally converted into NO and NO, whereas the yellow phosphorus is mainly PO. Single-factor influencing on the efficiency of denitration include the concentration of yellow phosphorus, reaction temperature, stirring intensity, gas flow rate, O content, and red mud solid-liquid ratio were investigated. Response surface methodology (RSM) was used to optimize the process parameters. It was indicated that the removal rate of NOx can reach 99.3% under the optimal conditions. Moreover, the possible denitration reaction mechanism was also discussed.
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http://dx.doi.org/10.1016/j.jhazmat.2020.123971DOI Listing
February 2021

[Acid Mine Wasteland Reclamation by Buchen as a Potential Pioneer Plant].

Huan Jing Ke Xue 2020 Aug;41(8):3829-3835

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming 650500, China.

Ecological reclamation is the major method for the revegetation of acid mine wasteland worldwide. In this study the pH, fertility characteristics, and heavy metal content of soils from Laili Mountain mine wasteland were analyzed. The research also studied the morphological characteristics and the heavy metal in Buchen as well as its resistance to acid, adaptability to soil fertility in abandoned land, and tolerance to heavy metal pollution (e.g., Zn and Cu) to determine its remediation potential as a pioneer plant for acid mine wasteland. Results showed that the pH of soils in the study area were acidic, ranging from 3.46 to 4.01.The contents of organic matter, total potassium, total phosphorus, and available phosphorus was poor, being 10.28-25.75 g·kg, 8.84-9.32 g·kg, 0.56-0.63 g·kg, and 1.82-5.72 mg·kg respectively.The contents of Zn, Cu, and Fe in the soil ranged between 54.93 and 114.49 mg·kg, 92.53 and 127.59 mg·kg, and 47133.60 and 112259.63 mg·kg, whereby the Cu content was 1.85-2.55 times higher than the risk screening value. The height of Buchen in the study area ranged from 43.77 cm to 55.42 cm, which was shorter than the average plant height of the control group (51.38-57.66 cm); however, this was not a significant difference, thus indicating that this plant was resistant to acidic soil and heavy metal pollution.Further analysis showed that Buchen had accumulating capacity for both Cu and Zn, and transferring capacity for Zn as well. Thus, it had potential in heavy metal accumulation and absorption.Plant height was significantly related to the available phosphorus content in the rhizosphere soil. In the future, soil fertility could be improved by supplementing fertilizers containing available phosphorus when Buchen is planted on the land of abandoned mines as a pioneer plant. Comprehensive analysis revealed that Buchen had great potential as a pioneer plant to remediate acid mine wasteland.
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http://dx.doi.org/10.13227/j.hjkx.202001129DOI Listing
August 2020

Maternal Risk Factors for Lactation Mastitis: A Meta-analysis.

West J Nurs Res 2021 Jul 22;43(7):698-708. Epub 2020 Oct 22.

Department of Child Health Center, Chengdu Women's and Children's Central Hospital, School of Medicine, University of Electronic Science and Technology of China, Chengdu, China.

This meta-analysis was conducted to identify maternal risk factors for lactational mastitis. Studies published in English or Chinese were retrieved from Medline (PubMed), Embase, Cochrane Library, Web of Science, CNKI, WANFANG, and VIP databases according to predefined inclusion and exclusion criteria. Study quality was assessed by the Newcastle-Ottawa Scale. A random-effects model was used for data pooling and I tests to assess study heterogeneity. Pooled data from 8 cohorts and 10 case-control studies identified previous mastitis during breastfeeding (P<0.00001), cesarean section (P=0.001), breast trauma (P<0.001), anemia (P=0.0001), latch problems ≤ 8 weeks post-delivery (P=0.003), milk overproduction (P=0.002), blocked duct (P<0.0001), cracked nipple (especially ≤ 4 weeks post-delivery) (P=0.0001), use of nipple shields (P<0.00001), nipple cream (P<0.0001), brassieres (P<0.0001), and breast pumps (P<0.00001), and breastfeed duration > 30 min (P=0.008) as significant risk factors. Washing nipples before breastfeeding decreased lactational mastitis risk. Identification of these risk factors may facilitate the development of nursing care protocols for reducing lactational mastitis.
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http://dx.doi.org/10.1177/0193945920967674DOI Listing
July 2021

Motility and function of smooth muscle cells in a silk small-caliber tubular scaffold after replacement of rabbit common carotid artery.

Mater Sci Eng C Mater Biol Appl 2020 Sep 30;114:110977. Epub 2020 Apr 30.

National Engineering Laboratory for Modern Silk, College of Textile and Clothing Engineering, Soochow University, No. 199 Ren-ai Road, Suzhou Industrial Park, Suzhou, Jiangsu Province 215123, China. Electronic address:

Cell infiltration and proliferation are prerequisites for tissue regeneration and repair. The aim of the present study was to evaluate the motility and function of vascular smooth muscle cells (SMCs) in a silk-based small-caliber artificial blood vessel (SFTS) following implantation to replace the common carotid artery in rabbits. Hematoxylin and eosin (HE) staining showed a number of SMCs clearly distributed in the scaffold at 1 month, which gradually increased up to 80-90% of autologous blood vessels at 3 months and was 100% at 12 months. Smooth muscle myosin heavy chain (SM-MHC) and α-smooth muscle actin (α-SMA) are specific markers of SMCs. Real-time PCR results showed that the gene expression level of α-SMA in SFTSs was significantly down-regulated within 6 months, except in the early stage of implantation. The relative expression level of α-SMA at 12 months was five times higher than that at 3 months, indicating that SMCs phenotype transformed from synthetic to contractile. The SM-MHC+ and α-SMA+ SMCs were disorderly distributed in the scaffolds at 1 month, but became ordered along the circumference 6 months after grafting as shown by immunohistochemistry. Results indicated that the bionic SFTSs were able to induce in situ angiogenesis in defects.
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http://dx.doi.org/10.1016/j.msec.2020.110977DOI Listing
September 2020

An efficient Egeria najas-derived biochar supported nZVI composite for Cr(VI) removal: Characterization and mechanism investigation based on visual MINTEQ model.

Environ Res 2020 10 15;189:109912. Epub 2020 Jul 15.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500, China.

Egeria najas is a submerged aquatic plant, and the literatures on resourcification of submerged aquatic plant biochar remain limited. Until now, there has been no study on submerged aquatic plant biochar supported nZVI that is widely applied for removal of diversified contaminants in solution. In this study, an efficient approach to the preparation of Egeria najas-derived biochar supported nZVI composite is first developed for Cr(VI) removal in wastewater. The adsorption behavior and mechanism of Cr(VI) removal on the as-prepared Egeria najas-derived biochar/nZVI ([email protected]) composite were investigated. The results of FTIR and XPS indicate that the [email protected] surface had many functional groups such as R-COOH, R-OH, R-NH and R-C-O-C, etc, which could provide active sites during the adsorption process. The BET results showed that the [email protected] had large specific surface area and average pore, which were 142.49 m/g and 9.85 nm, respectively. [email protected] demonstrated high reactivity for Cr(VI) removal. Compared with nZVI, Cr(VI) removal efficiency by [email protected] is 50% higher than that of nZVI within 0.5 h. Furthermore, the maximum adsorption capacity of Cr (VI) was 56.79 mg/g and the energy of activation (E) was 31.30 kJ/mol. The adsorption process was well described by the pseudo-second order model and Sips adsorption isotherm model. The reaction mechanism of Cr(VI) removal was a multi-step removal mechanism, involving adsorption, surface complex formation, reduction and ion exchange reaction.
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http://dx.doi.org/10.1016/j.envres.2020.109912DOI Listing
October 2020

First-principles studies of HF and HCl adsorption over graphene.

J Mol Model 2020 Sep 9;26(10):262. Epub 2020 Sep 9.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500, China.

In this paper, the adsorption characteristics of HF and HCl over graphene were studied by the first-principles method. The results showed that the adsorption of HCl over graphene was a weak chemical adsorption, while HF was a weak physical adsorption. The density of states showed that HCl and graphene at - 4.3 eV are relative to the Fermi level. At the same time, there is no obvious change and hybridization between HF-graphene system near the Fermi level. Furthermore, when HCl and HF molecules adsorbed over the graphene simultaneously, two optimal adsorption structures would be chosen to investigate how HCl and HF molecules jointly affected adsorption properties. The result showed that two gas molecules adsorbed over graphene could enhance the adsorption effect and influenced electronic distribution. Graphical abstract HF and HCl over graphene belong to weak physical and chemical adsorption separately. Two gases on graphene surface can be enhanced.
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http://dx.doi.org/10.1007/s00894-020-04526-xDOI Listing
September 2020

Inorganic flocculant for sludge treatment: Characterization, sludge properties, interaction mechanisms and heavy metals variations.

J Environ Manage 2020 Dec 22;275:111255. Epub 2020 Aug 22.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500, Yunnan, China.

As an industrial waste, phosphogypsum was modified to produce flocculant for sludge dewatering. In this paper, characteristics of flocculant, properties of treated sludge, and interactions of sludge and flocculant were investigated. Results suggested that after modification, flocculant showed a positive electrical property and a porous structure. Besides, larger sludge flocs formed in treated sludge showed a higher settleability and filterability. Flocculant could narrow sludge colloid network by compressing its Electrical double-layer due to the presence of CaSO. With potential change, the electronegative colloidal network cracked quickly and released sludge particles, active groups, unstable heavy metals and 82.91% of bound water. Moreover, porous adsorption between sludge particles and flocculant was found under molecular electrostatic potential and Van Der Waals force caused by flocculant addition. After modification, shear modulus of CaSO, SiO and AlO in modified phosphogypsum increased by 21%, 23% and 17%, respectively. This provided a strong skeleton support for sludge particles, which is significant to sludge dewatering. Particularly, through chelation, adsorption and rolling-sweeping process, risk level of unstable heavy metals excepting Cu in sludge filter cake was largely weakened. Immobilized rate of risky heavy metals was 23.96% (Cd), 39.92% (Cr), 11.11% (Pb), 21.21% (Zn), 35.49% (Ni), and 78.61% (As), respectively. Therefore, this study provided significant insight for developing efficient method to promote bound water removal from sludge, and to stabilize risky heavy metals in sludge.
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http://dx.doi.org/10.1016/j.jenvman.2020.111255DOI Listing
December 2020

Surface characterization of metal oxides-supported activated carbon fiber catalysts for simultaneous catalytic hydrolysis of carbonyl sulfide and carbon disulfide.

J Environ Sci (China) 2020 Oct 5;96:44-54. Epub 2020 May 5.

Faculty of Chemical Engineering, Kunming University of Science and Technology, Kunming 650500, China.

The sol-gel method was used to synthesize a series of metal oxides-supported activated carbon fiber (ACF) and the simultaneous catalytic hydrolysis activity of carbonyl sulfide (COS) and carbon disulfide (CS) at relatively low temperatures of 60°C was tested. The effects of preparation conditions on the catalyst properties were investigated, including the kinds and amount of metal oxides and calcination temperatures. The activity tests indicated that catalysts with 5 wt.% Ni after calcining at 400°C (Ni(5)/ACF(400)) had the best performance for the simultaneous catalytic hydrolysis of COS and CS. The surface and structure properties of prepared ACF were characterized by scanning electron microscope-energy disperse spectroscopy (SEM-EDS), Brunauer-Emmett-Teller (BET), X-ray diffraction (XRD), carbon dioxide-temperature programmed desorption (CO-TPD) and diffuse reflectance Fourier transform infrared reflection (DRFTIR). And the metal cation defects were researched by electron paramagnetic resonance (EPR) method. The characterization results showed that the supporting of Ni on the ACF made the ACF catalyst show alkaline and increased the specific surface area and the number of micropores, then improved catalytic hydrolysis activity. The DRFTIR results revealed that -OH species could facilitate the hydrolysis of COS and CS; -COO and -C-O species could facilitate the oxidation of catalytic hydrolysate HS. And the EPR results showed that high calcination temperature conditions provide more active reaction center for the COS and CS adsorption.
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http://dx.doi.org/10.1016/j.jes.2020.03.019DOI Listing
October 2020

Non-thermal plasma-enhanced low-temperature catalytic desulfurization of electrolytic aluminum flue gas by CuO-ZrSnO: experimental and numerical analysis.

Environ Sci Pollut Res Int 2020 Nov 10;27(31):39474-39489. Epub 2020 Jul 10.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Jingmingnan Road 727, Kunming, 650000, China.

Catalytic desulfurization is favored for its ability to desulfurize low concentrations of SO by generating sulfur without the need for flue gas conditioning or additives. Maintaining reaction efficiency at a low temperature would justify the industrial scale use of this method. To that end, in this study, we modified a previously reported highly efficient CuO-ZrSnO catalyst and investigated its desulfurization performance. The non-thermal plasma (NTP) method was used to enhance the low-temperature efficiency of the catalyst. The desulfurization rate was significantly improved without generating excess heat or by-products in the low-output mode of post-plasma-catalysis-type (PPC-type) dielectric barrier discharge (DBD). In addition, we studied the physicochemical properties of the catalyst (pore structure, physical structure, morphology, electronic properties, and chemical state) under plasma enhancement conditions. The catalyst loaded with 20 wt% Cu and aged at 40 °C exhibited optimum desulfurization performance. This study provides a theoretical foundation for the analysis of plasma-enhanced catalytic desulfurization under low-temperature conditions. Graphical abstract.
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http://dx.doi.org/10.1007/s11356-020-09602-6DOI Listing
November 2020

Value-added utilization of paper sludge: Preparing activated carbon for efficient adsorption of Cr(VI) and further hydrogenation of furfural.

Sci Total Environ 2020 Nov 16;741:140265. Epub 2020 Jun 16.

BiomassChem Group, Faculty of Chemical Engineering, Kunming University of Science and Technology, Kunming, Yunnan 650500, China; The Higher Educational Key Laboratory for Phosphorus Chemical Engineering of Yunnan Province, Kunming University of Science and Technology, Kunming 650500, Yunnan, China. Electronic address:

After normal alkali treatment process, the industrial Cr(VI) containing wastewater still contains a ppm level of Cr(VI) ions which should be further purified before discharging. In this study, the Cr(VI)-containing wastewater has been efficiently treated by the porous paper sludge-based activated carbon (psAC) with an excellent specific surface area and rich oxygen functional groups. The batch experimental results showed that under acidic conditions, pH has little effect on the Cr(VI) removal. The kinetic and isotherms studies showed that the Elovich and Freundlich model could describe the adsorption process well and the maximum adsorption capacity of psAC was 54.04 mg/g. The thermodynamic studies indicated that the reaction process was endothermic and spontaneous. Adsorption enthalpy was 17.37 kJ/mol, showing that the chemisorption process was a hydrogen bonding-controlled that has been also verified by some analytical techniques. Lastly, this study also provided an idea for reutilization of waster Cr(VI)-contained psAC in furfural hydrogenation.
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http://dx.doi.org/10.1016/j.scitotenv.2020.140265DOI Listing
November 2020

Removal of SO and NO from flue gas using mud-phosphorus slurry.

Environ Sci Pollut Res Int 2020 Jun 25;27(18):23270-23280. Epub 2020 Apr 25.

School of Chemistry and Environment, Yunnan Minzu University, Kunming, 650500, Yunnan, People's Republic of China.

In this study, the mud-phosphorus slurry was used to simultaneously remove SO and NO. The technology proposed new avenues for the purification and utilization of remove SO and NO in flue gas. The effects of reaction temperature, solid-liquid ratio, and oxygen content on the efficiency of desulfurization and denitrification were studied experimentally. Results show that the parameters were solid-liquid ratio of 5.0 g/40 mL, T = 60 °C, φ (O) = 20%, Q = 300 mL/min under the best experimental conditions. The maximum amount of ozone generated was 563.8 mg/m. The reaction time with desulfurization rate ≥ 99% was 340 min; the reaction time with denitrification rate ≥ 99% was 160 min. Response surface analysis method was used to perform a three-factor three-level response surface experiment. Results show that the oxygen content had a highly significant effect on the desulfurization and denitrification efficiency, and the relationship between the desulfurization and denitrification efficiency was oxygen content > mud-phosphorus slurry liquid-solid ratio > reaction temperature. The process is simple, the solid waste is used to treat the flue gas, and the removal effect is good, which is convenient for popularization.
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http://dx.doi.org/10.1007/s11356-020-08852-8DOI Listing
June 2020

Short-range ordered Co(OH)/TiO for boosting sulfite oxidation: Performance and mechanism.

J Colloid Interface Sci 2020 Jul 12;571:90-99. Epub 2020 Mar 12.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming 650500, Yunnan, China.

Catalysis of magnesium sulfite (MgSO) oxidation is crucial for the flue gas desulfurization by magnesium oxide. Here, a short-range ordered Co(OH)/TiO hybrid with a direct Z-scheme band structure, was fabricated for the reaction of MgSO oxidation. The abundant defects of Co(OH)/TiO induced the generation of more surface adsorbed oxygen species, and therefore greatly facilitated the formation of the key radical of SO to enhance MgSO oxidation. The oxidation rate of MgSO was enhanced 6.1-fold higher than the uncatalyzed benchmark with this neat Co(OH)/TiO catalyst. Moreover, the oxidation rate of MgSO could be further improved 11.3-fold by the assistance of light irradiation, which broadened the pathways for MgSO oxidation by inspiring more active radicals (O, OH, SO, SO) and photogenerated holes to participate into MgSO oxidation. The photogenerated holes were proved to play key role to accelerate reaction by directly oxidized MgSO or inducing active radicles, and the highly efficient utilization of photogenerated holes was guaranteed by the Z-scheme charge transfer in the Co(OH)/TiO interface. The results provided by this study could serve as an environmentally friendly approach to improve the overall performance of wet desulfurization.
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http://dx.doi.org/10.1016/j.jcis.2020.03.042DOI Listing
July 2020

A review of thermal homogeneous catalytic deoxygenation reactions for valuable products.

Heliyon 2020 Feb 20;6(2):e03446. Epub 2020 Feb 20.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming 650500, China.

To remove high oxygen content is important to make high quality oil and valuable products. In this paper, the research on homogeneous catalytic deoxygenation reactions, including decarboxylation (DCX)/decarbonylation (DCN), hydrodeoxygenation (HDO) is reviewed. Based on DCX/DCN, the classic radical reactions such as the Barton decarboxylation, Henkel, Hunsdiecker and Kochi reactions were introduced, the practice and overall performance are also discussed. In addition, the different reaction pathways and mechanisms were demonstrated and the key chemical processes have been selected from the literature as examples to elaborate the critical emphasis on the mechanistic understanding. The applications of the catalytic deoxygenation reactions for high-value products have also been highlighted. Overall, this review provides insight discussions on the DO issues and progresses in homogeneous catalytic aspects.
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http://dx.doi.org/10.1016/j.heliyon.2020.e03446DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7036526PMC
February 2020

Novel synthesis of aluminum hydroxide gel-coated nano zero-valent iron and studies of its activity in flocculation-enhanced removal of tetracycline.

J Environ Sci (China) 2020 Mar 31;89:194-205. Epub 2019 Oct 31.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming 650500, China. Electronic address:

A newly designed aluminum hydroxide gel-coated nanoscale zero-valent iron ([email protected]) with enhanced activity and dispersibility of NZVI was successfully synthesized. The [email protected] composite was synthesized via control of the surface AHG content. [email protected], [email protected] and [email protected] were prepared under centrifugal mixing speeds of 1000, 2000 and 4000 r/min, respectively. The activity of [email protected] was evaluated by its tetracycline (TC) removal efficiency. The effects of AHG content, pH value, reaction temperature, and presence of competitive anions on TC removal were investigated. TC could be removed by both adsorption and chemical reduction on [email protected] (centrifugal speed 2000 r/min) in a short time with high removal efficiency (≥98.1%) at the optimal conditions. Such excellent performance can be attributed to a synergistic interaction between aluminum hydroxide gel and NZVI: (1) AHG could enhance the stability and dispersity of NZVI; (2) aluminum hydroxide gel could absorb a certain amount of TC and Fe/Fe, which facilitated the mass transfer of TC onto the NZVI surface, resulting in acceleration of the reduction rate of TC by the [email protected] composite; and (3) AHG-Fe/Fe could absorb a certain amount of TC by flocculation. The kinetics of TC removal by [email protected] composite was found to follow a two-parameter pseudo-first-order model. The presence of competitive anions slightly inhibited the activity of [email protected] systems for TC removal. Overall, this study provides a promising alternative material and environmental pollution management option for antibiotic wastewater treatment.
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http://dx.doi.org/10.1016/j.jes.2019.09.017DOI Listing
March 2020

Enhanced adsorption of hydrophobic organic contaminants by high surface area porous graphene.

Environ Sci Pollut Res Int 2020 Mar 28;27(7):7309-7317. Epub 2019 Dec 28.

Faculty of Environmental Science & Engineering, Kunming University of Science & Technology, Kunming, 650500, China.

The relatively low surface area and micropore volume of graphene nanosheets (GNS) limit their potential application as effective adsorbents for hydrophobic organic contaminants (HOCs). In this study, KOH etching was used to develop activated GNS (K-GNS) for adsorption of model HOCs such as naphthalene, phenol, nitrobenzene, and bisphenol A. After activation, the specific surface area (SSA) of K-GNS increased to 885 m/g, which was three times larger than that of GNS. The micropore volume of K-GNS substantially increased and the C/O ratio was doubled. Accordingly, the adsorption capacity of these HOCs on K-GNS was larger than that of pristine GNS (P-GNS) by 2-8 times. The kinetic data was fitted by the pseudo-second-order model, and the adsorption isotherms of HOCs on P-GNS and K-GNS were fitted by the Freundlich model. The desorption studies showed the K-GNS had a lower rate of release than P-GNS. The high adsorption of naphthalene, phenol, nitrobenzene, and bisphenol A on P-GNS and K-GNS is dominated by hydrophobic and π-π interactions. Additionally, the π-π EDA interaction and hydrogen bond between K-GNS and substituents cannot be ignored.
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http://dx.doi.org/10.1007/s11356-019-07439-2DOI Listing
March 2020

Highly efficient WO-FeO catalysts synthesized using a novel solvent-free method for NH-SCR.

J Hazard Mater 2020 Apr 3;388:121812. Epub 2019 Dec 3.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500, PR China. Electronic address:

WO-FeO catalysts with various WO contents were synthesized through a facile solvent-free method, satisfying the selective catalytic reduction of NO (NH-SCR). Strikingly, the optimum 30 %WO-FeO catalyst with the largest surface area exhibited the most outstanding catalytic activity, achieving the nearly 100 % NO removal efficiency in a wide temperature window between 225-500 °C, which was better than that of Fe-W series catalysts reported in other studies. In addition, Raman and XPS results proved that the introduction of WO altered the electronic environment of FeO, inducing the formation of FeO (Fe) and surface adsorbed oxygen. In situ DRIFTS demonstrated that the interaction between WO and FeO not only promoted the adsorption capacity of NH on the catalyst, but also contributed to the formation of adsorbed NO species. NO reduction reaction on WO-FeO catalyst proceeded via the Eley-Rideal and Langmuir-Hinshelwood mechanism synchronously. All of these factors, jointly, accounted for the superior catalytic activity and N selectivity of WO-FeO catalysts.
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http://dx.doi.org/10.1016/j.jhazmat.2019.121812DOI Listing
April 2020

In vitro antifungal activity of dimethyl trisulfide against Colletotrichum gloeosporioides from mango.

World J Microbiol Biotechnol 2019 Dec 12;36(1). Epub 2019 Dec 12.

School of Environmental Sciences, University of Guelph, Guelph, ON, N1G 2W1, Canada.

Colletotrichum gloeosporioides, one of the main agents of mango anthracnose, causes latent infections in unripe mango, and leads to huge economic losses during storage and transport. Dimethyl trisulfide (DMTS), one of the main volatile compounds produced by some microorganisms or plants, has shown antifungal activity against some phytopathogens in previous studies, but its effects on C. gloeosporioides and mechanisms of action have not been well characterized. In fumigation trials of conidia and mycelia of C. gloeosporioides for 2, 4, 6, 8, or 10 h, at a concentration of 100 μL/L of air space in vitro, DMTS caused serious damage to the integrity of plasma membranes, which significantly reduced the survival rate of spores, and resulted in abnormal hyphal morphology. Moreover, DMTS caused deterioration of subcellular structures of conidia and mycelia, such as cell walls, plasma membranes, Golgi bodies, and mitochondria, and contributed to leakage of protoplasm, thus promoting vacuole formation. In addition, to better understand the molecular mechanisms of the antifungal activity, the global gene expression profiles of isolate C. gloeosporioides TD3 treated in vitro with DMTS at a concentration of 100 μL/L of air for 0 h (Control), 1 h, or 3 h were investigated by RNA sequencing (RNA-seq), and over 62 Gb clean reads were generated from nine samples. Similar expressional patterns for nine differentially expressed genes (DEGs) in both RNA-seq and qRT-PCR assays showed the reliability of the RNA-seq data. In comparison to the non-treated control groups, we found DMTS suppressed expression of β-1, 3-D-glucan, chitin, sterol biosynthesis-related genes, and membrane protein-related genes. These genes related to the formation of fungal cell walls and plasma membranes might be associated with the toxicity of DMTS against C. gloeosporioides. This is the first study demonstrating antifungal activity of DMTS against C. gloeosporioides on mango by direct damage of conidia and hyphae, thus providing a novel tool for postharvest control of mango anthracnose.
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http://dx.doi.org/10.1007/s11274-019-2781-zDOI Listing
December 2019

Well-defined [email protected] hollow heterostructured nanocubes with enhanced dissociation kinetics for overall water splitting.

Nanoscale 2020 Jan 11;12(1):326-335. Epub 2019 Dec 11.

Shanghai Electrochemical Energy Devices Research Center, School of Chemistry and Chemical Engineering and State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai, 200240, China.

Hollow heterostructures have tremendous advantages in electrochemical energy storage and conversion areas due to their unique structure and composition characteristics. Here, we report the controlled synthesis of hollow CoSe nanocubes decorated with ultrathin MoSe nanosheets ([email protected]) as an efficient and robust bifunctional electrocatalyst for overall water splitting in a wide pH range. It is found that integrating ultrathin MoS nanosheets with hollow CoSe nanocubes can provide abundant active sites, promote electron/mass transfer and bubble release and facilitate the migration of charge carriers. Additionally, the surface electron coupling in the heterostructures enables it to serve as a source of sites for H and/or OH adsorption, thus reducing the activation barrier for water molecules adsorption and dissociation. As a result, the title compound, [email protected] hollow heterostructures, exhibits an overpotential of 183 mV and 309 mV at a current density of 10 mA cm toward hydrogen evolution reactions and oxygen evolution reactions in 1.0 M KOH, respectively. When applied as both cathode and anode for overall water splitting, a low battery voltage of 1.524 V is achieved along with excellent stability for at least 12 h. This work provides a new idea for the design and synthesis of high-performance catalysts for electrochemical energy storage and conversion.
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http://dx.doi.org/10.1039/c9nr08751fDOI Listing
January 2020

Theoretical study on simultaneous removal of SO, NO, and Hg over graphene: competitive adsorption and adsorption type change.

J Mol Model 2019 Nov 26;25(12):364. Epub 2019 Nov 26.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500, China.

In this work, the influence of competitive adsorption and the change of charge transfer for simultaneous adsorption removal of SO, NO, and Hg over graphene were investigated using density functional theory method. The results showed that all the adsorptive effect of SO, NO, and Hg were caused by physical interaction. The adsorptive energy of SO was the highest, and the adsorptive energy of Hg was the lowest. SO could be preferentially adsorbed and removed. NO/SO and Hg had the mutual promotion effect for simultaneous adsorption over graphene surface. SO and NO had the mutual inhibition effect for simultaneous adsorption over graphene surface. Compared with single molecular adsorption, the adsorption type of bi-molecular adsorption did not change. However, the simultaneous adsorption changed the adsorption type of Hg + SO + NO to chemical adsorption due to the interaction among Hg, SO, and NO. As such, this study provides a theoretical insight for future application and development. Graphical abstractNO/SO and Hg had the mutual promotion effect for simultaneous adsorption. SO and NO had the mutual inhibition effect for simultaneous adsorption.
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http://dx.doi.org/10.1007/s00894-019-4254-6DOI Listing
November 2019

DFT calculation of AsH adsorption and dissociation on Ni- and Cu-doped graphene.

J Mol Model 2019 Nov 25;25(12):358. Epub 2019 Nov 25.

Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500, People's Republic of China.

This work explores the adsorption and dissociation of AsH on Ni- and Cu-doped graphene by density functional theory (DFT) method. The most stable configurations, adsorption energy, and dissociation pathways are calculated thoroughly. In addition, the electron density difference (EDD), charge transfer, partial density of states (PDOS), and frontier orbitals are performed to describe the adsorption and dissociation process. The first dehydrogenation step on PG-Cu is easier than on PG-Ni due to the lower energy barrier. But further dissociation is becoming difficult in both systems. The third dehydrogenation steps are the rate determining steps for the whole reactions on PG-Ni and PG-Cu, as the energy barrier is 2.01 and 1.72 eV. In conclusion, PG-Ni and PG-Cu has similar AsH sensitivity, but the dissociation of AsH on PG-Cu is easier than on PG-Ni. It indicates that PG-Cu has better catalytic activity as an AsH removal catalyst than PG-Ni. This work may provide useful information for further experimental studies to develop efficient and long-term AsH removal catalysts. Graphical abstract.
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http://dx.doi.org/10.1007/s00894-019-4227-9DOI Listing
November 2019