68 results on '"Yousefinejad S"'
Search Results
2. Effects of protein content and rumen-undegradable to rumen-degradable protein ratio in finely ground calf starters on growth performance, ruminal and blood parameters, and urinary purine derivatives
- Author
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Yousefinejad, S., Fattahnia, F., Kazemi-Bonchenari, M., Nobari, B., and Ghaffari, M.H.
- Published
- 2021
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3. Soybean oil supplementation and starter protein content: Effects on growth performance, digestibility, ruminal fermentation, and urinary purine derivatives of Holstein dairy calves
- Author
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Yousefinejad, S., Fattahnia, F., Kazemi-Bonchenari, M., Khanaki, H., Drackley, J.K., and Ghaffari, M.H.
- Published
- 2021
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4. Catalytic ozonation process using CuO/clinoptilolite zeolite for the removal of formaldehyde from the air stream
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Rashidi, R., Yousefinejad, S., and Mokarami, H.
- Published
- 2019
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5. Application of merged spectroscopic data combined with chemometric analysis for resolution of hemoglobin intermediates during chemical unfolding
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Fotouhi, L., Yousefinejad, S., Salehi, N., Saboury, A.A., Sheibani, N., and Moosavi-Movahedi, A.A.
- Published
- 2015
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6. Heme degradation upon production of endogenous hydrogen peroxide via interaction of hemoglobin with sodium dodecyl sulfate
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Salehi, N., Moosavi-Movahedi, A.A., Fotouhi, L., Yousefinejad, S., Shourian, M., Hosseinzadeh, R., Sheibani, N., and Habibi-Rezaei, M.
- Published
- 2014
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7. New autocorrelation QTMS-based descriptors for use in QSAM of peptides
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Yousefinejad, S., Hemmateenejad, B., and Mehdipour, A. R.
- Published
- 2012
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8. Dispersive liquid-liquid microextraction for determining urinary muconic acid as benzene biological indicator
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Moghadasi Abolfazl, Yousefinejad Saeed, Soleimani Esmaeel, Taghvaei Sajjad, and Jafai Saeed
- Subjects
biomonitoring ,dllme ,hplc ,central composite design ,exposure assessment ,Chemistry ,QD1-999 - Abstract
The monitoring of occupational exposure to chemicals is essential for assessing the workplace. In the case of hazardous and carcinogenic chemicals, such as benzene, occupational monitoring becomes even more crucial. Trans,trans-muconic acid (t,t-MA) is one of the benzene urinary metabolites. Pretreatment methods for t,t-MA generally include liquid–liquid extraction and solid–phase extraction. Using dispersive liquid–liquid microextraction (DLLME) during sample preparation and extraction can reduce extraction costs and environmental impacts. Furthermore, the process is cost-effective and easy to operate. This study is aimed to develop, optimize, and validate an analytical method for measuring t,t-MA concentration in urine matrix through DLLME combined with high-performance liquid chromatography. In this method, five variables including pH, the volume of the extractant and the disperser, salt content and the time of centrifugation were optimized using the response surface methodology with a central composite design approach and experimental data. The proposed DLLME was successfully applied to real samples of exposed workers to benzene with extraction efficiencies from 95.8 to 102.4 %. The optimum conditions were pH 8, extractant solvent, 300 μL, disperser solvent, 300 μL, salt, 3.4 % and centrifuge, 3 min. According to the result of this study, the proposed DLLME approach can be effectively applied to the biomonitoring of individuals exposed to benzene.
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- 2024
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9. Catalytic effect of Fe@Fe2O3 nanowires and Fenton process on carbamazepine removal from aqueous solutions using response surface methodology.
- Author
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Amin, M. M., Yousefinejad, S., Dehghani, M., and Rahimi, S.
- Subjects
NANOWIRES ,HABER-Weiss reaction ,CARBAMAZEPINE ,AQUEOUS solutions ,RESPONSE surfaces (Statistics) - Abstract
Carbamazepine is one of the hydrophilic compounds identified in aquatic environments. Due to toxicity and bio-stability of this psychotropic pharmaceutical in the environment and humans, its removal efficiency and mineralization are important. In this study, synthesized Fe@Fe
2 O3 nanowires were applied to improve Fenton oxidation process using FeCl3 .6H2 O and NaBH4 . The effects of different parameters such as initial pH, H2 O2 , FeSO4 .7H2 O, carbamazepine concentrations, oxidation time, and nanowires dose were evaluated using response surface methodology. After scanning electron microscopy, energy-dispersive X-ray spectroscopy and X-ray diffract meter analysis, Fe@Fe2 O3 morphology was synthesized in the form of nanowires with diameters of about 40-80 nm. The optimum oxidation conditions for carbamazepine were established at pH= 4.3, reaction time of 45.9 min, nanowire dose of 179.4 mg/L as well as H2 O2 , FeSO4 .7H2 O and carbamazepine concentrations of 22, 52.2 and 7.7 mg/L, respectively. The oxidation efficiency (99.5%) achieved under the optimum condition, which was determined by the model, was consistent with the efficiency predicted by the model. The multiparameter models showed good calibration and prediction abilities with R² = 0.922, R²adj = 0.907, R²pred = 0.868. According to the results, the carbamazepine degradation rate increased with the increase of Fe2+ due to the synergistic effect between Fe@Fe2 O3 and Fe2+ on the catalytic decomposition of H2 O2 and generation of OH•. It was concluded that the Fenton process based on the Fe@Fe2 O3 nanowires can increase the carbamazepine oxidation rate in aqueous solutions. This method can also be used as an effective and pre-treatment process in the conventional treatment plants. [ABSTRACT FROM AUTHOR]- Published
- 2019
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10. Prediction of retardation factor of protein amino acids in reversed phase TLC and ethanol-sodium azide solution as the mobile phase using QSRR
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Torabi Susan, Honarasa Fatemeh, and Yousefinejad Saeed
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natural amino acids ,descriptors ,structural property ,thin layer chromatography ,qsrr ,Chemistry ,QD1-999 - Abstract
Due to the importance of amino acids (AAs) as the basic bricks of proteins and their application in the drug and food industries, there is great interest in their separation and identification using simple and inexpensive approaches. Application of predictive models for the determination of the behavior of AAs can reduce trial-and-error experiments. Herein, the retardation factor (RF) of 21 protein AAs were studied using the quantitative structureretardation factor (QSRR) model. The RF values of the AAs in ethanol–sodium azide solution as the mobile phase of reversed phase thin layer chromatography (RP-TLC) were correlated with the structural properties of the AAs. The suggested QSRR indicated excellent fitting and prediction ability (R2train = 0.95 and R2test = 0.94). Furthermore, other statistical tests, such as y-scrambling, cross validation and the Williams plot confirmed the stability, absence of chance and the suitable applicability domain, respectively. It was shown that the sum of geometrical distances between oxygen and nitrogen atoms in an AA molecule is an important factor for the RF values of the AAs in the ethanol– sodium azide.
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- 2021
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11. Microextraction techniques for occupational biological monitoring: Basic principles, current applications and future perspectives.
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Sohrabi Y, Rahimian F, Yousefinejad S, Aliasghari F, and Soleimani E
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- Humans, Green Chemistry Technology methods, Solid Phase Microextraction methods, Liquid Phase Microextraction methods, Biological Monitoring methods, Occupational Exposure analysis
- Abstract
The application of green microextraction techniques (METs) is constantly being developed in different areas including pharmaceutical, forensic, food and environmental analysis. However, they are less used in biological monitoring of workers in occupational settings. Developing valid extraction methods and analytical techniques for the determination of occupational indicators plays a critical role in the management of workers' exposure to chemicals in workplaces. Microextraction techniques have become increasingly important because they are inexpensive, robust and environmentally friendly. This study aimed to provide a comprehensive review and interpret the applications of METs and novel sorbents and liquids in biological monitoring. Future perspectives and occupational indicators that METs have not yet been developed for are also discussed., (© 2024 John Wiley & Sons Ltd.)
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- 2024
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12. Enhanced adsorption of toluene on thermally activated ZIF-67: Characterization, performance, and modeling insights.
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Damiri Z, Jafari S, Yousefinejad S, and Kazemian H
- Abstract
The zeolitic imidazolate framework-67 (ZIF-67) has been explored for the dynamic adsorption of toluene vapor. We synthesized ZIF-67 through a straightforward room-temperature process and characterized it using XRD, FT-IR, DLS, and SEM techniques. The synthesized ZIF-67 possessed a Brunauer-Emmett-Teller (BET) surface area of 1578.7 m
2 /g and 0.76 μm particle size. Thermal activation under various conditions revealed that ZIF-67, activated in dry air at 250 °C, demonstrated optimal adsorption efficacy. Its adsorption capacity, time of breakthrough, and time of equilibration were 414.5 mg/g, 420 min, and 795 min, respectively. We investigated the impact of diverse operational parameters on adsorption through breakthrough curve analysis. An increase in the toluene concentration from 100 to 1000 ppm enhanced the adsorption capacity from 171 to 414 mg/g, while breakthrough time decreased from 1260 min to 462 min, respectively. Our findings show that increasing relative humidity from 0 to 70 % reduced 53.7 % in adsorption capacity and 46.3 % in breakthrough time. The competitive adsorption of toluene and ethylbenzene revealed that ZIF-67 had a higher selectivity for toluene adsorption. A 98 % adsorbent's regeneration efficiency at the first cycle reveals its reusability. The experimental data were successfully fitted to the Yan, Thomas, and Yoon-Nelson models to describe the adsorption process. The statistical validation of the model parameters confirms their reliability for estimating adsorption parameters, thus facilitating the design of fixed-bed adsorption columns for practical applications., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2024 The Authors. Published by Elsevier Ltd.)- Published
- 2024
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13. Systemic inflammation indices as hematological biomarkers of inflammatory response in non-silicotic workers exposed to respirable silica dust.
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Rezaei A, Ghafari ME, Sohrabi Y, Aliasghari F, Yousefinejad S, Soleimani E, and Jafari S
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- Humans, Dust, Cross-Sectional Studies, Silicon Dioxide toxicity, Inflammation chemically induced, Inflammation diagnosis, Occupational Exposure adverse effects, Silicosis diagnosis, Silicosis etiology
- Abstract
This cross-sectional study was performed to assess whether systemic inflammatory indices, including systemic inflammation response index (SIRI), systemic immune‑inflammation index (SII), and aggregate index of systemic inflammation (AISI), can be considered as possible inflammatory markers in silica-exposed workers with no diagnosis of silicosis. We studied 371 non-silicotic workers exposed to respirable silica dust (RSD) and 1422 reference workers. The workers' exposure to RSD were assessed and the inflammatory indices were compared between subgroups of the exposed workers based on the severity and duration of exposure. Correlations between inflammatory indices and the pulmonary function parameters were investigated. Also, the receiver operating characteristic (ROC) curve and Youden index were used to determine the cut-off values of the SII, SIRI, and AISI. Significant dose-response relationships were observed between duration of exposure and all indices except monocytes and LMR. No significant interaction was observed between duration of exposure to RSD and smoking. Borderline significant correlations were observed between AISI and SIRI with forced expiratory volume (FEV1) and FEV1 to forced vital capacity (FVC) ratio. Higher AUCs were obtained for SII and AISI, respectively. The cut-off values for these biomarkers to be considered abnormal were > 348.48 for SII, > 183.78 for AISI, and > 0.768 for SIRI. Overall, the present study showed for the first time, that SII, AISI, and SIRI might be considered as available, easy-to-obtain, and non-expensive markers of inflammation in non-silicotic workers with a long duration of exposure to RSD who are at risk of developing silicosis in subsequent years., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)
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- 2024
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14. Rapid determination of hippuric acid as an exposure biomarker of toluene using a colorimetric assay and comparison with high-performance liquid chromatography.
- Author
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Dehghani F, Yousefinejad S, Mobaraki N, Nekoeinia M, and Hemmateenejad B
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- Chromatography, High Pressure Liquid methods, Humans, Limit of Detection, Hippurates urine, Colorimetry methods, Biomarkers urine, Biomarkers analysis, Toluene analysis, Toluene urine, Occupational Exposure analysis
- Abstract
Occupational exposure to toluene is associated with health risks that require reliable monitoring methods. Hippuric acid (HA), a urinary metabolite of toluene, serves as a valuable biomarker for such exposure. Colorimetric methods for the quantitative determination of HA have gained prominence due to their simplicity, cost-effectiveness, and suitability for field application. In the present study, a simple colorimetric technique was optimized for the determination of HA in the urine sample, and compared with a usual HPLC technique. The central composite design (CCD) was applied to examine the effective parameters on the colorimetric determination of HA. The calibration curve for HA was established within the concentration range of 6 to 100 mg L
-1 with R2 = 0.97. The detection limit (LOD) and quantification limit (LOQ) were determined to be 1.8 mg L-1 and 6 mg L-1 respectively. The relative standard deviation (RSD%) was less than 5%, and the recovery% (R%) was 90.5-100.1. The overall results showed good agreement between the colorimetric and HPLC results. There was a significant relationship between the results obtained from HPLC and colorimetric methods especially for higher concentration levels of HA (≥ 500 mg/g creatinine). In conclusion, our optimized colorimetric method is a simple, cost-effective, and rapid method for determination of HA in occupational exposure, which is comparable with the HPLC technique., (© 2024. The Author(s).)- Published
- 2024
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15. False positives and false negatives in benzene biological monitoring.
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Moghadasi A, Yousefinejad S, and Soleimani E
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- Environmental Monitoring, Biological Monitoring, Industry, Biomarkers urine, Benzene toxicity, Benzene analysis, Occupational Exposure
- Abstract
Benzene is a commonly used industrial chemical that is a significant environmental pollutant. Occupational health specialists and industrial toxicologists are concerned with determining the exact amount of exposure to chemicals in the workplace. There are two main approaches to assess chemical exposure; air monitoring and biological monitoring. Air monitoring has limitations, which biological monitoring overcomes and could be used as a supplement to it. However, there are several factors that influence biological monitoring results. It would be possible to assess exposure more accurately if these factors were taken into account. This study aimed to review published papers for recognizing and discussing parameters that could affect benzene biological monitoring. Two types of effects can be distinguished: positive and negative effects. Factors causing positive effects will increase the metabolite concentration in urine more than expected. Furthermore, the parameters that decrease the urinary metabolite level were referred to as false negatives. From the papers, sixteen influential factors were extracted that might affect benzene biological monitoring results. Identified factors were clarified in terms of their nature and mechanism of action. It is also important to note that some factors influence the quantity and quality of the influence of other factors. As a result of this study, a decision-making protocol was developed for interpreting the final results of benzene biological monitoring., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Inc. All rights reserved.)
- Published
- 2024
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16. Blood volatile organic compounds as potential biomarkers for poly cystic ovarian syndrome (PCOS): An animal study in the PCOS rat model.
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Ataabadi MS, Bahmanpour S, Yousefinejad S, and Alaee S
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- Humans, Rats, Female, Animals, Letrozole, Rats, Wistar, Biomarkers, Polycystic Ovary Syndrome chemically induced, Polycystic Ovary Syndrome pathology, Volatile Organic Compounds analysis
- Abstract
Polycystic ovary syndrome (PCOS) as a common metabolic and endocrinological disorder can affect the metabolic profile in biological fluids. We studied the profile of blood volatile organic compounds (VOCs) in rats with PCOS and controls to identify potential specific biomarkers of blood VOCs in PCOS rats. For this purpose, 30 female adult Wistar rats were assigned to two groups: control and PCOS groups. PCOS model was induced using letrozole gavage (1 mg/kg) for 21 days. The rats in the control group received water of the same volume for 21 days. During treatment, a collection of vaginal smears was done every day for estrus cycle determination and weight was measured weekly. On the day after the last administration of letrozole, the rats were killed and their blood and ovaries were collected. Testosterone levels and histologic changes in ovaries were examined. Also, headspace-solid phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) analyzed the VOCs in the blood of PCOS and control rats. Multivariate and univariate statistical analyses were used to find the potential biomarkers for a rat model of PCOS. Weight gain, ovarian and vaginal pathological alteration, as well as hyperandrogenemia, confirmed the successful induction of the PCOS in rats. The results of blood VOCs analysis showed that nine VOCs were significantly elevated and one VOC decreased in the PCOS group than the control group (P < 0/05). The partial least-squares discriminant analysis (PLS-DA) and principal component analysis (PCA) showed good separation of VOCs between the PCOS rats and the control group. The 4-ethylphenol and capric (decanoic) acid were selected as the potential biomarkers for PCOS diagnosis in the blood of the PCOS rats. The blood of PCOS rats had a specific profile of VOCs, which could be detected by GC-MS analysis. These findings can pave the way for further studies towards developing a new screening method for PCOS detection and studying their pathology, based on VOCs analysis., Competing Interests: Conflict of interest None., (Copyright © 2022 Elsevier Ltd. All rights reserved.)
- Published
- 2023
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17. Simultaneous Analysis of Mycotoxins, Potentially Toxic Elements, and Pesticides in Rice: A Health Risk Assessment Study.
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Yousefi MH, Abbasi E, Hadidi M, Hashemi S, Ghadimi AH, Yousefinejad S, Arfaeinia H, Yousefinejad A, Kowalczewski PŁ, Tomkowiak A, Hosseinzadeh S, and Mousavi Khaneghah A
- Subjects
- Iran, Diazinon analysis, Lead analysis, Risk Assessment, Food Contamination analysis, Environmental Monitoring, Mycotoxins analysis, Pesticides analysis, Arsenic analysis, Environmental Pollutants analysis, Metals, Heavy analysis
- Abstract
Rice is a widely consumed food worldwide; however, it can be a source of pollutants, such as potentially toxic elements (PTEs), mycotoxins, and pesticides. Sixty rice samples imported from Pakistan (PAK), India (IND), and Thailand (THAI), as well as domestic Iranian (IRN) rice, were collected from Bushehr, Iran, and investigated for the contamination of PTEs, including arsenic (As), lead (Pb), cadmium (Cd), and nickel (Ni); pesticides, including chlorpyrifos, trichlorfon, diazinon, fenitrothion, and chlorothalonil; mycotoxins, such as aflatoxin B1 (AFB1), zearalenone (ZEN), ochratoxin A (OTA), and deoxynivalenol (DON); and molds. Estimated daily intake (EDI) and hazard quotient (HQ) of pollutants and hazard index (HI) and incremental lifetime cancer risk (ILCR) of rice types for the Iranian adult population were calculated. The content of PTEs in Iranian rice was not higher than Iran's national standard limits. In contrast, other types of rice (imported) had at least one PTE above the permissible level. OTA content was below the detection limit, and all other mycotoxins were within the allowable range in all rice types. Thai rice was the only group without pesticides. The HI order of rice types was as follows: HI
PAK = 2.1 > HIIND = 1.86 > HIIRN = 1.01 > HITHAI = 0.98. As was the biggest contributor to the HI of Iranian and Thai rice, and diazinon in the HI of Pakistani and Indian rice. The calculation of ILCR confirmed that the concentrations of Ni and Pb in Pakistani and Ni and As in Indian, Thai, and Iranian rice were not acceptable in terms of lifetime carcinogenic health risks.- Published
- 2023
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18. Pulmonary function and respiratory symptoms in workers exposed to respirable silica dust: A historical cohort study.
- Author
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Sohrabi Y, Sabet S, Yousefinejad S, Rahimian F, Aryaie M, Soleimani E, and Jafari S
- Abstract
Background: The adverse health effects of silica are still a major concern in some industries. The purpose of this study was to evaluate pulmonary function in a group of sub-radiological silicotic workers after 11 years of silica dust exposure., Methods: The study sample consisted of 381 exposed and 254 non-exposed workers. The history of pulmonary function parameters was obtained from workers' medical records. The data were collected through interviews with employees and completing questionnaires on demographic variables, detailed occupational and medical history, and respiratory symptoms. Workers' exposure to silica dust was also determined., Results: The mean frequency of workers' exposure to silica dust was 6.3 times greater than its exposure limit. All pulmonary function parameters were significantly lower in the silica-exposed workers, and the difference between the two groups was still statistically significant after adjusting the potential confounding variables. FEV1 showed the greatest reduction, and FVC and FEV1 showed a significant decreasing trend. Also the prevalence of respiratory symptoms was significantly higher in smokers than in nonsmokers among silica-exposed workers., Conclusions: Even in the absence of radiographic evidence of silicosis, exposure to high levels of silica dust is associated with reductions in pulmonary function. In the absence of radiological evidence of silicosis, progressive deterioration of FEV1 over time most likely indicates sub-radiological silicosis. The effects were associated with the severity and duration of exposure. Exposure to sub-TLV levels of silica dust may not affect pulmonary function. Smoking appears to have a synergistic effect in relatively high silica exposures., Competing Interests: The authors declare no conflict of interest., (© 2022 The Author(s).)
- Published
- 2022
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19. Simultaneous removal of fluoride and nitrate from synthetic aqueous solution and groundwater by the electrochemical process using non-coated and coated anode electrodes: A human health risk study.
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Ashoori R, Samaei MR, Yousefinejad S, Azhdarpoor A, Emadi Z, Mohammadpour A, Lari AR, and Mousavi Khaneghah A
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- Electrodes, Fluorides, Humans, Nitrates, Nitrogen Oxides, Oxidation-Reduction, Sodium Chloride, Water, Groundwater, Water Pollutants, Chemical analysis
- Abstract
Co-presence of fluoride (F
- ) and nitrate (NO3 -) in water causes numerous health complications. Thus, they should be eliminated by an appropriate method like the EC process. In this research, simultaneous removal of F- and NO3 - from synthetic aqueous solution and groundwater has been considered by the EC technique under operational parameters like anode materials (un-coated (Al and Fe) and synthesized coated (Ti/TiRuSnO2 and Ti/PbO2 )), cathode materials (Cu, St, and Gr), current density (12, 24, and 36 mA/cm2 ), inter-electrode distance (0.5, 1, and 2 cm), pH (5.5, 7, and 8.5), NaCl concentrations (0.5, 1, and 1.5 g/L), electrolysis time (15, 30, 45, 60, 90, and 120 min), NO3 - concentrations (75, 150, and 225 mg/L), and F- concentrations (2, 4, 6, and 8 mg/L) for the first time in this research. The results proved that Al as non-coated anode and Cu as cathode electrodes were more effective in the co-removal of F- and NO3 - . The maximum removal efficiencies of 94.19 and 95% were observed at the current density of 36 mA/cm2 , 1 cm of inter-electrode distance, pH 7, 1 g/L of NaCl, and 90 min electrolysis time by Al-Cu electrode for F- (2 mg/L) and NO3 - (75 mg/L), respectively. The higher efficiency of Al-Cu electrodes was due to the simultaneous occurrence of electrocoagulation, electroreduction, and electrooxidation processes. Al-Cu electrode application considerably diminished f- and NO3- concentrations in the groundwater. Health risk assessment proved that HQ of F- was significantly decreased after treatment by the Al-Cu electrode. Thus, the EC process using an appropriate and effective electrode is a promising technique for treating aqueous solutions containing F- and NO3 - ., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier Inc. All rights reserved.)- Published
- 2022
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20. Metabolomics for exposure assessment and toxicity effects of occupational pollutants: current status and future perspectives.
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Dehghani F, Yousefinejad S, Walker DI, and Omidi F
- Subjects
- Biomarkers, Humans, Metabolomics, Environmental Pollutants analysis, Environmental Pollutants toxicity, Occupational Diseases etiology, Occupational Exposure adverse effects, Occupational Exposure analysis
- Abstract
Introduction: Work-related exposures to harmful agents or factors are associated with an increase in incidence of occupational diseases. These exposures often represent a complex mixture of different stressors, challenging the ability to delineate the mechanisms and risk factors underlying exposure-disease relationships. The use of omics measurement approaches that enable characterization of biological marker patterns provide internal indicators of molecular alterations, which could be used to identify bioeffects following exposure to a toxicant. Metabolomics is the comprehensive analysis of small molecule present in biological samples, and allows identification of potential modes of action and altered pathways by systematic measurement of metabolites., Objectives: The aim of this study is to review the application of metabolomics studies for use in occupational health, with a focus on applying metabolomics for exposure monitoring and its relationship to occupational diseases., Methods: PubMed, Web of Science, Embase and Scopus electronic databases were systematically searched for relevant studies published up to 2021., Results: Most of reviewed studies included worker populations exposed to heavy metals such as As, Cd, Pb, Cr, Ni, Mn and organic compounds such as tetrachlorodibenzo-p-dioxin, trichloroethylene, polyfluoroalkyl, acrylamide, polyvinyl chloride. Occupational exposures were associated with changes in metabolites and pathways, and provided novel insight into the relationship between exposure and disease outcomes. The reviewed studies demonstrate that metabolomics provides a powerful ability to identify metabolic phenotypes and bioeffect of occupational exposures., Conclusion: Continued application to worker populations has the potential to enable characterization of thousands of chemical signals in biological samples, which could lead to discovery of new biomarkers of exposure for chemicals, identify possible toxicological mechanisms, and improved understanding of biological effects increasing disease risk associated with occupational exposure., (© 2022. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)
- Published
- 2022
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21. Evaluating the effects of dark chocolate formulated with micro-encapsulated fermented garlic extract on cardio-metabolic indices in hypertensive patients: A crossover, triple-blind placebo-controlled randomized clinical trial.
- Author
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Mohammadi S, Mazloomi SM, Niakousari M, Ghaem Far Z, Azadi A, Yousefinejad S, Jafari P, and Faghih S
- Subjects
- Adult, Antioxidants pharmacology, Double-Blind Method, Female, Humans, Lipoproteins, LDL, Male, Plant Extracts pharmacology, Plant Extracts therapeutic use, Chocolate, Garlic, Hypertension drug therapy
- Abstract
This study aimed to investigate the health-related effects of microencapsulated fermented garlic extract (FGE) containing dark chocolate in hypertensive adults. For this purpose, 36 hypertensive adults (15 males vs. 21 females) were randomized to receive the FGE (5 g/day) dark chocolate containing 650 mg of FGE powder or the placebo. Intervention periods lasted for 6 weeks and were separated by a 3-week wash-out period. The response variables included blood pressure, anthropometric indices, lipid profile, and inflammatory and oxidative stress indices. Statistical analyses were performed using the Pkcross procedure, and Cohen's d was estimated for all response variables. There was no significant inter-period difference between the mean changes of body weight, waist circumference, and body mass index (BMI). Furthermore, no significant change was confirmed in participants' blood pressure, triglycerides, total cholesterol, low-density lipoprotein (LDL), high-density lipoprotein (HDL), very low-density lipoprotein (VLDL), serum homocysteine, high-sensitive c-reactive protein (hs-CRP), malondialdehyde (MDA), and total antioxidant capacity (TAC). It seems that the dose of FGE used in this study was not sufficient to cause any significant changes in the outcomes. Therefore, further studies with dose-response designs and longer durations are recommended., (© 2022 John Wiley & Sons Ltd.)
- Published
- 2022
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22. Improvement of performance and function in respiratory protection equipment using nanomaterials.
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Damokhi A, Yousefinejad S, Fakherpour A, and Jahangiri M
- Abstract
Nanotechnology has become one of key areas for the current development and research. Nanotechnology focuses on matter at the nanoscale and is capable of using different approaches to produce nanomaterials, structures, devices, and systems. One of the concerns that have to be addressed is the adverse effects of exposure to pathogens and pollutants in different workplaces and environments. Respiratory protective equipment (RPE) is one of the personal protective equipment (PPE) utilized to reduce the risk of exposure to environmental or occupational respiratory hazards. Thus, various studies have been conducted for improving the functional properties of sorbents or filters in different kinds of RPE. Different categories of nanomaterials have been reported as effective agents for achieving this goal. The application of these nanomaterials in mask layers or respirators' cartridge could significantly increase the filtration efficiency, breathing comfort, and antibacterial/antiviral properties of the masks and respirators. The present study aimed to comprehensively review the nanomaterials used in different types of face RPE with emphasis on various properties of the utilized nanomaterials. The study also aimed to show an applied perspective for future research on this important subject., Competing Interests: Conflict of interestThe authors declare no competing interests., (© The Author(s), under exclusive licence to Springer Nature B.V. 2022.)
- Published
- 2022
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23. Evaluation of oxidative stress and biochemical biomarkers, and psychological parameters in cement plant workers.
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Darabi F, Keshavarzi M, Abdullah MN, Dehghani F, Khanjani N, Yousefinejad S, Khajehnasiri F, and Zamanian Z
- Subjects
- Adult, Cross-Sectional Studies, Dust, Humans, Industry, Iran, Liver Function Tests, Male, Middle Aged, Noise, Occupational, Silicon Dioxide, Biomarkers blood, Construction Materials, Mental Disorders diagnosis, Occupational Exposure, Oxidative Stress
- Abstract
The cement industry is one of the main world industries with exposure to a wide range of hazardous chemical and physical occupational agents that may increase free radicals and lead to disease. The aim of this study was to evaluate oxidative stress, biochemical markers, and psychological parameters among cement plant workers. In this cross-sectional study, 40 workers exposed to cement and 40 office employees were selected as the exposed and non-exposed groups, respectively. Exposure to cement dust, silica, and noise were, respectively, assessed using the NIOSH 0600, NIOSH 7601, and noise dosimetry methods. Oxidative stress biomarkers including malondialdehyde (MDA), superoxide dismutase (SOD), catalase (CAT), total antioxidant capacity (TAC), and biochemical parameters were measured in the serum of all participants. Depression, anxiety, and stress were assessed by the Depression Anxiety Stress Scales (DASS-21) questionnaire. The results demonstrated that the level of MDA as a marker of oxidative stress was significantly higher in the exposed group. The level of antioxidant enzymes including SOD and CAT were also significantly higher in the exposed group. The level of TAC was lower in the exposed group, but the difference was not statistically significant. The levels of alkaline phosphatase (ALP), aspartate transaminase (AST), and the scores of depression and stress were also significantly higher in the exposed group. According to our results, noise, cement dust, and silica exposure were associated with oxidative stress, and this may be one of the mechanisms in which they adversely affect liver function and mental health.
- Published
- 2022
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24. Carbon nanomaterials as promising substrates in the design of sensors for SARS-CoV-2 and new emerging viral infections.
- Author
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Abbaszadeh S, Nikaeen G, and Yousefinejad S
- Subjects
- Carbon, Electrochemical Techniques, Humans, SARS-CoV-2, COVID-19, Nanostructures
- Published
- 2021
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25. Solidified floating organic droplet microextraction coupled with HPLC for rapid determination of trans, trans muconic acid in benzene biomonitoring.
- Author
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Dehghani F, Omidi F, Heravizadeh O, and Yousefinejad S
- Abstract
Benzene is one of the carcinogenic compounds in the work environments. Exposure assessment of benzene through biological monitoring is an acceptable way to accurately measure the real exposure in order to conducting the health risk assessment, but it is always complicated, laborious, time consuming and costly process. A new sensitive, simple, fast and environmental friendly method was developed for the determination of urinary metabolite of benzene, trans trans muconic acid (t,t-MA) by dispersive liquid-liquid micro extraction based on solidification of floating organic droplet coupled with high-performance liquid chromatography with ultra violet detector. Central composite design methodology was utilized to evaluate the effective factors on the extraction output of the target metabolite. The calibration curve was plotted in the concentration ranges of 0.02-5 µg mL
-1 . The precision and accuracy of the method were assayed via the relative standard deviation (RSD%) and relative recovery (RR%) using spiked samples with three replications. The RR% and RSD% of the optimized method were 86.9-91.3% and 4.3-6.3% respectively. The limit of detection (LOD) of the method was 0.006 µg mL-1 . The level of t,t-MA in real samples was ranged from 0.54 to 1.64 mg/g creatinine. We demonstrated that t,t-MA can be extracted and determined by an inexpensive, simple and fast method., (© 2021. The Author(s).)- Published
- 2021
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26. In-syringe ionic liquid-dispersive liquid-liquid microextraction coupled with HPLC for the determination of trans,trans-muconic acid in human urine sample.
- Author
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Abbaszadeh S, Yousefinejad S, Jafari S, and Soleimani E
- Subjects
- Benzene chemistry, Chromatography, High Pressure Liquid, Humans, Ionic Liquids chemistry, Ions analysis, Limit of Detection, Linear Models, Reproducibility of Results, Sorbic Acid analysis, Syringes, Ultraviolet Rays, Liquid Phase Microextraction methods, Sorbic Acid analogs & derivatives, Urinalysis methods
- Abstract
trans,trans-Muconic acid has been widely used as a biomarker in biological monitoring of benzene-exposed workers during routine occupational health services. In the present study, a novel microextraction technique, in-syringe ionic liquid-dispersive liquid-liquid microextraction, was implemented for preconcentration of trans,trans-muconic acid followed by analytical determination by high-performance liquid chromatography with ultraviolet detection. Moreover, the important variables affecting the performance of applied microextraction technique including needle diameter, volume of the spiked sample, volume of the ionic liquid, salt addition, rotation speed of centrifugation, centrifuge time, and ultrasonic time were optimized by experimental design. A good linear relationship was observed at the range of 0.032-10 μg/mL between the peak area and the concentration levels (R
2 = 0.9997). The limit of detection and extraction recovery for trans,trans-muconic acid were 0.011 μg/mL and >96.2%, respectively. This method provided easy and rapid analysis of low amounts of trans,trans-muconic acid in human urine with simple equipment., (© 2021 Wiley-VCH GmbH.)- Published
- 2021
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27. First molecular-based detection of SARS-CoV-2 virus in the field-collected houseflies.
- Author
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Soltani A, Jamalidoust M, Hosseinpour A, Vahedi M, Ashraf H, and Yousefinejad S
- Subjects
- Animals, Humans, Iran, Real-Time Polymerase Chain Reaction methods, Seasons, Houseflies virology, Insect Vectors virology, Molecular Diagnostic Techniques, SARS-CoV-2 pathogenicity
- Abstract
This is the first report of SARS-CoV-2 detection on field-collected Musca domestica housefly surface and tissue samples using the high-sensitive PCR assay which suggests the possible insect-borne transmission. The study was conducted in Shiraz city, southern Iran, in May and Jun 2020. Adult flies were sampled at the outdoor areas of two hospitals treating COVID-19 patients. Fly samples were first washed twice to remove the insect surface attached to SARS-CoV-2 virions. After that, the disinfected fly samples were homogenized. Fly surface washout and homogenate samples were tested using Taq Man real-time PCR assay for the SARS-CoV-2 virus. In a total of 156 houseflies, 75% of samples from the body washout samples were positive for SARS-CoV-2. Strikingly, 37% of the homogenized specimens were positive for the SARS-CoV-2, suggesting the possible infection of the insects or uptake of the virion to the insect metabolism. The other possibility is the houseflies up took the blood or blood fluids of the patients and the RNA of the SARS-CoV-2 survived in the insect body without replicating. Our preliminary findings suggest that the houseflies could transmit SARS-CoV-2 as a mechanical or biological vector especially during the warm seasons while increasing the population and activity of houseflies.
- Published
- 2021
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28. Photocatalytic degradation of 2,4-dichlorophenoxyacetic acid from aqueous solutions by Ag 3 PO 4 /TiO 2 nanoparticles under visible light: kinetic and thermodynamic studies.
- Author
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Amiri F, Dehghani M, Amiri Z, Yousefinejad S, and Azhdarpoor A
- Subjects
- 2,4-Dichlorophenoxyacetic Acid, Catalysis, Kinetics, Light, Silver, Thermodynamics, Titanium, Water, Herbicides, Nanoparticles
- Abstract
Between the countless chemical substances applied in agriculture, 2,4-dichlorophenoxyacetic acid (2,4-D) herbicide is considered as a toxic and carcinogenic pollutant which is difficult to remove from water due to its biological and chemical stability and high solubility. The goal of this study was photocatalytic degradation of 2,4-D, using Ag
3 PO4 /TiO2 nanoparticles under visible light. The Ag3 PO4 /TiO2 nanoparticles were characterized using XRD, FESEM and EDS analysis to investigate its crystal structure and elemental compounds. The effect of operating parameters such as pH, contact time, catalyst dose, and initial concentration of herbicide on the efficiency of the process was studied. Increasing the pH and initial concentration of herbicide led to the reduction of the efficiency of removing the herbicide, while increasing contact time and catalyst dose increased the efficiency. The best result (98.4% removal efficiency) was achieved at pH = 3, 1 g/L catalyst dose, 60 min contact time, and 10 mg/L initial concentration of 2,4-D. According to the results, 2,4-D removal efficiency with Ag3 PO4 /TiO2 photocatalyst reached 96.1% from 98.4% after 5 cycles of reaction. The pseudo-first-order kinetics was the best fit for the 2,4-D degradation by Ag3 PO4 /TiO2 with correlation coefficients (R2 = 0.9945). The results demonstrated that the photocatalytic process using Ag3 PO4 /TiO2 nanoparticles in the presence of visible light had a relatively good efficiency in removing 2,4-D. Moreover, Ag3 PO4 /TiO2 can be used as a reusable photocatalyst for the degradation of such toxins from polluted water and wastewater.- Published
- 2021
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29. Assessment of respiratory exposure to cypermethrin among farmers and farm workers of Shiraz, Iran.
- Author
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Behnami F, Yousefinejad S, Jafari S, Neghab M, and Soleimani E
- Subjects
- Agriculture, Environmental Monitoring, Farmers, Humans, Iran, Occupational Exposure analysis, Pesticides analysis, Pyrethrins toxicity
- Abstract
Cypermethrin, a member of the synthetic pyrethroids group, is a popular insecticide used to eliminate a broad range of common bugs in agricultural lands and households. However, studies of farmers' exposure to this insecticide are limited. The present study aimed to measure the respiratory exposure to cypermethrin among farmers and farm workers of Shiraz, as one of the biggest cities in Fars province, Iran. Totally, nine target regions were selected, where 42 individual samples were taken using XAD-2 sorbents and were analyzed by gas chromatography-electron capture detector (GC-ECD). This is the first study on farmers' exposure to insecticides during spraying in Iran. The average concentration of cypermethrin vapor in farmers' respiratory area during spraying was 0.982 ± 0.421 mg/m
3 , which was lower than the permitted threshold value for cypermethrin recommended by the Occupational Safety and Health Administration (OSHA). The mean time-weighted average (TWA) was also evaluated in two distinct occupational groups (tree operators and field operators). The exposure was significantly higher in tree operators than in field operators. A direct correlation was also found between the height of the workers and the amount of cypermethrin (Spearman's r = 0.555). Findings support that farm workers' respiratory exposure to cypermethrin was within the permissible range, but this situation cannot guarantee workers' safety. Total respiratory exposure and skin exposure studies are recommended in future research.- Published
- 2021
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30. Erratum to: Toxic responses of the liver and kidneys following occupational exposure to anesthetic gases.
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Neghab M, Amiri F, Soleimani E, Yousefinejad S, and Hassanzadeh J
- Abstract
[This corrects the article on p. 418 in vol. 19, PMID: 32327960.]., (Copyright © 2021 Neghab et al.)
- Published
- 2021
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31. Central Composite Design for Optimizing the Biosynthesis of Silver Nanoparticles using Plantago major Extract and Investigating Antibacterial, Antifungal and Antioxidant Activity.
- Author
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Nikaeen G, Yousefinejad S, Rahmdel S, Samari F, and Mahdavinia S
- Subjects
- Anti-Bacterial Agents chemistry, Antifungal Agents chemistry, Antioxidants chemistry, Disk Diffusion Antimicrobial Tests, Hydrogen-Ion Concentration, Microscopy, Electron, Scanning, Microscopy, Electron, Transmission, Seeds chemistry, Surface Plasmon Resonance, Temperature, Anti-Bacterial Agents pharmacology, Antifungal Agents pharmacology, Antioxidants pharmacology, Metal Nanoparticles chemistry, Metal Nanoparticles ultrastructure, Plant Extracts, Plantago chemistry, Silver
- Abstract
Central composite design (CCD) was applied to optimize the synthesis condition of silver nanoparticles (AgNPs) using the extract of Plantago major (P. major) seeds via a low cost and single-step process. The aqueous seed extract was applied as both reducing element and capping reagent for green production of AgNPs. Five empirical factors of synthesis including temperature (Temp), pH, volume of P. major extract (V
ex ), volume of AgNO3 solution (VAg ) and synthesis time were used as independent variables of model and peak intensity of Surface Plasmon Resonance (SPR) originated from NPs as the dependent variable. The predicted optimal conditions was determined to be: Temp = 55 °C, pH = 9.9,Vex = 1.5 mL, VAg = 30 mL, time = 60 min. The characterization of the prepared AgNPs at these optimum conditions was conducted by Fourier transform infrared spectroscopy (FTIR), dynamic light scattering (DLS), transmission electron microscopy (TEM) and X-ray diffraction (XRD) to determine the surface bio-functionalities. Bio-activity of these AgNPs against bacteria and fungi were evaluated based on its assay against Micrococcus luteus, Escherichia coli and Penicillium digitatum. Furthermore, antioxidant capacity of these NPs was checked using the ferric reducing antioxidant power (FRAP) assay.- Published
- 2020
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32. Association between genotoxic properties of inhalation anesthetics and oxidative stress biomarkers.
- Author
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Neghab M, Kargar-Shouroki F, Mozdarani H, Yousefinejad S, Alipour H, and Fardid R
- Subjects
- Adult, Biomarkers, Cross-Sectional Studies, Female, Humans, Iran, Male, Malondialdehyde blood, Micronucleus, Germline drug effects, Middle Aged, Operating Rooms, Sex Factors, Superoxide Dismutase blood, Anesthetics, Inhalation pharmacology, DNA Damage drug effects, Health Personnel, Oxidative Stress drug effects
- Abstract
Exposure to inhalation anesthetics (IAs) has been associated with DNA damage as reflected in the increased frequency of micronuclei (MN) and chromosomal aberrations (CAs). The present study was undertaken to ascertain whether there was any correlation between increased MN and CA and the extent of oxidative stress as well as the antioxidant status of a group of operating room personnel exposed to a mixture of IAs, including nitrous oxide, isoflurane, and sevoflurane. In this cross-sectional study, 60 operating room personnel (exposed group) in whom the frequencies of MN and CA had already been shown to be significantly higher than those of a referent group, as well as 60 unexposed nurses, were studied. Venous blood samples were taken from all participants, and malondialdehyde (MDA) levels as an index of oxidative stress (OS) and the activity of superoxide dismutase (SOD) and levels of total antioxidant capacity (TAC) as indices of antioxidant status were measured. The level of TAC (1.76 ± 0.59 mM vs. 2.13 ± 0.64 mM, p = 0.001) and the activity of SOD (11.22 ± 5.11 U/ml vs. 13.36 ± 4.12 U/ml, p = 0.01) were significantly lower, while the mean value of MDA was significantly higher (2.46 ± 0.66 µM vs. 2.19 ± 0.68 µM, p = 0.03) in the exposed group than in the nonexposed group. After adjusting for potential confounders, there were statistically significant associations between exposure to IAs, gender, SOD, and TAC with MN frequency and between exposure to IAs and SOD with numbers of CA. The findings of the present study indicated that exposure to IAs was associated with OS, and this, in turn, may be causally linked with DNA damage.
- Published
- 2020
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33. Application of nanomaterials in treatment, anti-infection and detection of coronaviruses.
- Author
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Nikaeen G, Abbaszadeh S, and Yousefinejad S
- Subjects
- Animals, Antiviral Agents analysis, Biosensing Techniques methods, COVID-19, Coronavirus drug effects, Coronavirus isolation & purification, Coronavirus Infections prevention & control, Humans, Nanomedicine methods, Nanoparticles analysis, Nanotechnology methods, Pandemics prevention & control, Pneumonia, Viral diagnosis, Pneumonia, Viral prevention & control, Pneumonia, Viral therapy, Antiviral Agents therapeutic use, Coronavirus Infections diagnosis, Coronavirus Infections therapy, Nanoparticles therapeutic use
- Abstract
Nanotechnology and nanomedicine have excellent potential in dealing with a range of different health problems, including viruses, which are considered to be a serious challenge in the medical field. Application of nanobiotechnology could represent a new avenue for the treatment or disinfection of viruses. There is increasing concern regarding the control of coronaviruses, among these, Middle East respiratory syndrome coronavirus, severe acute respiratory syndrome coronavirus and severe acute respiratory syndrome coronavirus-2 are well known and dangerous examples. This article aims to provide an overview of recent studies on the effectiveness of nanoparticles as diagnostic or antiviral tools against coronaviruses. The possibilities of effectively using nanomaterials as vaccines and nanosensors in this field are also presented.
- Published
- 2020
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34. Toxic responses of the liver and kidneys following occupational exposure to anesthetic gases.
- Author
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Neghab M, Amiri F, Soleimani E, Yousefinejad S, and Hassanzadeh J
- Abstract
This study was undertaken to determine whether exposure of operating room personnel to inhalation anesthetics, including nitrous oxide, isoflurane, and sevoflurane was associated with any hepatotoxic or nephrotoxic changes. Fifty-two operating room personnel and 52 non-exposed subjects were studied. A questionnaire pertaining to demographic characteristics and medical history of participants was completed. Fasting blood samples were taken from all subjects to measure the functional parameters of kidneys and liver. Biological monitoring was also performed to detect the urinary concentration of IAs. Urinary concentrations of nitrous oxide, isoflurane, and sevoflurane were found to be 175.8 ± 77.52, 4.95 ± 3.43, and 15.0 3± 16.06 ppm, respectively. The mean levels of alanine aminotransferase, aspartate aminotransferase, alkaline phosphatase, gamma-glutamyltransferase, Alpha-glutathione-S-transferase, as well as the serum levels of kidney injury molecule-1, creatinine and calcium were significantly higher in the exposed group. Statistically significant associations were observed between exposure to inhalation anesthetics and the mean levels of aspartate aminotransferase, alanine aminotransferase, and gamma-glutamyltransferase, serum creatinine, kidney injury molecule-1, and calcium. Under the exposure scenario described in the present study, occupational exposure to inhalation anesthetics was associated with subtle, subclinical, pre-pathologic changes in the parameters of liver and kidneys. Additionally, Alpha-glutathione-S-transferase and kidney injury molecule-1 were found to be sensitive markers for early detection of subclinical changes in the parameters of kidney and liver function in subjects who are exposed to inhalation anesthetics., (Copyright © 2020 Neghab et al.)
- Published
- 2020
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35. Assessment of aloe vera for qualitative fit testing of particulate respirators: a logistic regression approach.
- Author
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Fakherpour A, Jahangiri M, Yousefinejad S, Seif M, and Banaee S
- Subjects
- Adult, Female, Humans, Inhalation Exposure prevention & control, Logistic Models, Male, Materials Testing methods, Occupational Exposure prevention & control, Aloe chemistry, Quaternary Ammonium Compounds chemistry, Respiratory Protective Devices standards
- Abstract
Fit testing procedure is required for filtering facepiece respirators (FFRs) to ascertain an acceptable fit between the skin and facepiece sealing surface. The present study seeks to compare the efficacy of Aloe vera (A. vera) and commercial Bitrex
TM as challenge agents of qualitative fit testing of particulate respirators. An herbal solution consisting of A. vera at seven different concentrations was developed. Threshold Screening Tests (TSTs) of A. vera solutions were compared to BitrexTM . To do so, solutions were administered randomly on a total of 62 participants. A placebo was also tested to ensure the taste response being valid. Statistical analysis was performed using R 3.2.5.0 software. There were no statistically significant differences between the A. vera (41.7, 58.3, 75, and 91.7 mg/ml) and BitrexTM threshold tests. Therefore, the minimum concentration of A. vera to develop the threshold solution was considered to be 41.7 mg/ml. When commercial products are expensive and unavailable, a cost-effective technique would be to replace A. vera solution with a commercial product as a challenge agent of qualitative fit testing of respirators.- Published
- 2020
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36. The hierarchy of preventive measures to protect workers against the COVID-19 pandemic: A review.
- Author
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Dehghani F, Omidi F, Yousefinejad S, and Taheri E
- Subjects
- Air Filters, Architectural Accessibility, Humans, Pandemics, Personal Protective Equipment, SARS-CoV-2, Ventilation methods, COVID-19 prevention & control, COVID-19 transmission, Occupational Diseases prevention & control, Occupational Exposure, Workplace organization & administration
- Abstract
Background: The high spread rate of coronaviruses, specifically severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has raised concerns about the spread of the disease in crowded occupational environments. The risk of occupational exposure to coronavirus depends on the type of industry and the nature of work. Currently, most countries are working for reactivating their economies and need to improve working conditions for a safe situation during the COVID-19 pandemic., Objective: The present work aimed to investigate the current engineering and administrative control measures, which are necessary to protect workers against COVID-19 in workplaces., Methods: The current strategies, including engineering control, administrative control, personal protective equipment, and their efficiencies, were reviewed and discussed., Results: Reviewing the literature indicated that a collection of control approaches should be implemented for an effective control of the virus. Control measures could be selected based on the risk of exposure to COVID-19. The results also revealed that relying solely on a specific control measure could not effectively control the outbreak., Conclusion: In conclusion, employers and health professionals must continually monitor international and local guidelines to identify changes in recommendations to make their workplaces safer. Establishment of an expert team in any workplace for the implementation of more effective control measures is warranted, as well.
- Published
- 2020
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37. Quantitative structure-activity relationship to predict the anti-malarial activity in a set of new imidazolopiperazines based on artificial neural networks.
- Author
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Yousefinejad S, Mahboubifar M, and Eskandari R
- Subjects
- Algorithms, Linear Models, Neural Networks, Computer, Antimalarials chemistry, Imidazoles chemistry, Piperazines chemistry, Quantitative Structure-Activity Relationship
- Abstract
Background: After years of efforts on the control of malaria, it remains as a most deadly infectious disease. A major problem for the available anti-malarial drugs is the occurrence of drug resistance in Plasmodium. Developing of new compounds or modification of existing anti-malarial drugs is an effective approach to face this challenge. Quantitative structure activity relationship (QSAR) modelling plays an important role in design and modification of anti-malarial compounds by estimation of the activity of the compounds., Methods: In this research, the QSAR study was done on anti-malarial activity of 33 imidazolopiperazine compounds based on artificial neural networks (ANN). The structural descriptors of imidazolopiperazine molecules was used as the independents variables and their activity against 3D7 and W2 strains was used as the dependent variables. During modelling process, 70% of compound was used as the training and two 15% of imidazolopiperazines were used as the validation and external test sets. In this work, stepwise multiple linear regression was applied as the valuable selection and ANN with Levenberg-Marquardt algorithm was utilized as an efficient non-linear approach to correlate between structural information of molecules and their anti-malarial activity., Results: The sufficiency of the suggested method to estimate the anti-malarial activity of imidazolopiperazine compounds at two 3D7 and W2 strains was demonstrated using statistical parameters, such as correlation coefficient (R
2 ), mean square error (MSE). For instance R2 train = 0.947, R2 val = 0.959, R2 test = 0.920 shows the potential of the suggested model for the prediction of 3D7 activity. Different statistical approaches such as and applicability domain (AD) and y-scrambling was also showed the validity of models., Conclusion: QSAR can be an efficient way to virtual screening the molecules to design more efficient compounds with activity against malaria (3D7 and W2 strains). Imidazolopiperazines can be good candidates and change in the structure and functional groups can be done intelligently using QSAR approach to rich more efficient compounds with decreasing trial-error runs during synthesis.- Published
- 2019
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38. Quantitative structure-retention relationship for chromatographic behaviour of anthraquinone derivatives through considering organic modifier features in micellar liquid chromatography.
- Author
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Ramezani AM, Yousefinejad S, Shahsavar A, Mohajeri A, and Absalan G
- Subjects
- Acetonitriles chemistry, Alcohols chemistry, Quantitative Structure-Activity Relationship, Reproducibility of Results, Anthraquinones chemistry, Chromatography, Reverse-Phase, Micelles, Models, Chemical
- Abstract
A simple and informative quantitative structure-retention relationship (QSRR) model has been introduced for prediction of retention times in some anthraquinone derivatives using reversed-phase micellar liquid chromatography (MLC) technique. In the developed multiple linear regression model, the structural descriptors of analytes as well as the empirical parameters of organic modifiers in the applied MLC systems have been considered. Retention times of 77 chromatographic samples (16 anthraquinones were evaluated by using 6 different organic modifiers) were experimentally determined and utilized as the independent variables of the QSRR model. Five small-chain alcohols (methanol, ethanol, propanol, butanol, and pentanol) as well as acetonitrile were used as the eluent modifiers. A five-parametric model was attained for the logarithm of the retention time values which covered about 96 and 95% variance of the chromatographic data in training and cross-validation, respectively. The presence of an excellent correlation coefficient for external validation test (= 0.94) and a well-applicable domain proved the prediction ability of the constructed model. Both validity and reliability of the formulated model were examined through its application on diverse random-selected training and test sets. Moreover, quantum chemical calculations were performed in the framework of density functional theory to simulate the interactions between AQs and modifiers and gain mechanistic details about the retention behavior in the MLC system., (Copyright © 2019 Elsevier B.V. All rights reserved.)
- Published
- 2019
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39. Quantitative sequence-activity modeling of ACE peptide originated from milk using ACC-QTMS amino acid indices.
- Author
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Bahadori M, Hemmateenejad B, and Yousefinejad S
- Subjects
- Angiotensin-Converting Enzyme Inhibitors chemistry, Animals, Caseins chemistry, Cattle, Goats, Humans, Hydrolysis, Models, Molecular, Peptide Fragments chemistry, Sheep, Whey Proteins chemistry, Amino Acids analysis, Angiotensin-Converting Enzyme Inhibitors pharmacology, Caseins pharmacology, Milk chemistry, Peptide Fragments pharmacology, Peptidyl-Dipeptidase A chemistry, Whey Proteins pharmacology
- Abstract
Up to now, numerous peptides/hydrolysates derived from casein and whey protein have shown angiotensin-I-converting enzyme (ACE) inhibitory. In this research, quantum topological molecular similarity (QTMS) indices of amino acids were utilized in quantitative sequence-activity modeling (QSAM) to predict the activity of a set of milk-driven peptides with ACE inhibition. Since the derived peptides have not the same number of residues, we overcame this issue by auto cross covariance (ACC) methodology. Then, some QSAMs were built to predict the pIC
50 value of ACE peptides derived from Bovine Casein and Whey. The model established an acceptable relationship between the selected variables and the pIC50 of the peptides. To estimate the performance of the developed models, casein and whey proteins from human, goat, bovine and sheep were virtually broken by trypsin and chymotrypsin enzymes and the ACE activity of the resultant virtual peptides were predicted and some new ACE peptides were proposed.- Published
- 2019
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40. Feasibility of replacing homemade solutions by commercial products for qualitative fit testing of particulate respirators: a mixed effect logistic regression study.
- Author
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Fakherpour A, Jahangiri M, Yousefinejad S, and Seif M
- Abstract
Qualitative fit testing is mandatory for tight-fitting respirators to ensure that the wearer fitted properly before entering a contaminated workplace. The purpose of this study was to evaluate the homemade solutions as substitution of commercial products for qualitative fit testing of particulate respirators. Two homemade solutions of Bitrex™ and saccharin were made according to the Occupational Safety and Health Administration (OSHA) regulation 29 CFR 1910.134. Threshold Screening Tests (TSTs) of commercial solutions, as well as homemade ones, were conducted on 62 participants in a random order. A placebo was also tested to assure the participants could distinguish its flavorless from other taste of solutions. There were no statistically significant differences between the commercial and homemade solutions representing that participants detected the bitter taste of the Bitrex™ and sweet taste of the saccharin solutions (96.8% vs. 91.9% and 93.5% vs. 83.9%, respectively). Homemade solutions that were stable and haven't been contained microbial contaminations, could be substituted for commercial products in qualitative fit testing of filtering face-piece respirators (FFRs). Overall, this protocol presents a practical and cost-benefit technique to assess the fit testing of FFRs.
- Published
- 2019
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41. Effects of Low-level Occupational Exposure to Ammonia on Hematological Parameters and Kidney Function.
- Author
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Neghab M, Mirzaei A, Jalilian H, Jahangiri M, Zahedi J, and Yousefinejad S
- Subjects
- Adult, Blood Cell Count, Blood Urea Nitrogen, Calcium blood, Creatinine blood, Cross-Sectional Studies, Humans, Kidney Function Tests, Male, Ammonia toxicity, Kidney drug effects, Occupational Exposure analysis
- Abstract
Background: Many workers, particularly those working in manufacture of fertilizers, explosives, rubber, pesticides, textiles, and employees of petrochemical industries are exposed to ammonia in their workplaces. Toxic responses of hematopoietic system and kidney following occupational exposure to this chemical have not been thoroughly investigated., Objective: To determine the relationship between long-term occupational exposure to low levels of ammonia and hematological parameters and kidney function., Methods: In this cross-sectional study, 119 randomly selected, male petrochemical workers and 131 office employees (comparison group) were examined. Urine and blood samples were taken from all participants for urinalysis, complete blood count (CBC), serum calcium level, and blood urea nitrogen (BUN) and plasma creatinine. Personal, environmental, and peak ammonia exposure were also measured., Results: The median personal, environmental, and peak occupational exposure to ammonia were 0.23, 0.16, and 65.50 mg/m
3 , respectively, among the exposed group. No significant difference was observed between the exposed and unexposed participants in terms of hematological parameters and urinalysis. Conversely, calcium and BUN, while within the normal range, were significantly higher in the exposed than in the comparison group., Conclusion: Occupational exposure to low atmospheric concentrations of ammonia was associated with subtle, sub-clinical, pre-pathologic changes in kidney function. Possible longterm consequences and ramifications of these effects require further investigation.- Published
- 2019
- Full Text
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42. Genotoxicity of inhalational anesthetics and its relationship with the polymorphisms of GSTT1, GSTM1, and GSTP1 genes.
- Author
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Kargar Shouroki F, Neghab M, Mozdarani H, Alipour H, Yousefinejad S, and Fardid R
- Subjects
- Adult, Chromosome Aberrations chemically induced, Cross-Sectional Studies, DNA Damage, Female, Genotype, Humans, Male, Micronucleus Tests, Nurses, Occupational Exposure, Anesthetics, Inhalation toxicity, Glutathione S-Transferase pi genetics, Glutathione Transferase genetics, Mutagens toxicity, Operating Room Nursing, Polymorphism, Genetic
- Abstract
Due to their wide applications, concern exists regarding possible genotoxic effects of inhalational anesthetics (IAs) among operating room personnel. This study was undertaken to examine genotoxic properties of co-exposure to nitrous oxide, sevoflurane, and isoflurane on induction of micronucleus (MN) and chromosomal aberrations (CAs) and to determine whether any associations exist between polymorphisms of GST genes and the level of genomic damage measured by MN and CAs assays. Sixty operating room personnel and 60 unexposed referent nurses were studied. The workers' exposure to the IAs was determined. DNA damage was evaluated by MN and CAs assays. Additionally, the GSTM1, GSTT1, and GSTP1 polymorphisms were detected. The mean concentrations of nitrous oxide, isoflurane, and sevoflurane were found to be 850.92 ± 919.78, 2.40 ± 0.86, and 0.18 ± 0.14 ppm, respectively. The frequency of MN and CAs in the exposed group was significantly higher than that of the non-exposed group. The frequency of MN was significantly higher in referent nurses with null GSTT1, compared to referent nurses with positive GSTT1. The frequency of MN was significantly higher in exposed individuals carrying the combined genotype of GSTT1 (-), GSTM1 (-), and GSTP1 AG as compared with subjects carrying a combination of GSTT1 (+), GSTM1 (+), and GSTP1 AA. Statistically significant associations were noted between exposure to the IAs, gender, and the combination of the three GSTs genotypes with MN frequency. These findings indicate that inhalation exposure to IAs induces genotoxic response and the polymorphisms of GSTs genes might modulate the effect of exposure to IAs on MN.
- Published
- 2019
- Full Text
- View/download PDF
43. Early, Subclinical Hematological Changes Associated with Occupational Exposure to High Levels of Nitrous Oxide.
- Author
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Amiri F, Neghab M, Shouroki FK, Yousefinejad S, and Hassanzadeh J
- Abstract
This study was undertaken to determine whether exposure of operating room personnel to inhalation anesthetics, nitrous oxide, isoflurane, and sevoflurane was associated with any hematological changes. This historical cohort study was performed in 2018 at a large public hospital in Shiraz, where 52 operating room personnel and 52 administrative staff were investigated. The blood sample was taken from all individuals for Complete Blood Count. Furthermore, demographic information was collected through questionnaires. Mean atmospheric concentrations of nitrous oxide, isoflurane, and sevoflurane, to which subjects were exposed, were 850.92, 2.40, and 0.18 ppm, respectively. The hematological parameters were within the normal range in both groups. However, the mean values of hemoglobin, hematocrit, mean corpuscular hemoglobin, mean corpuscular hemoglobin concentration, and red blood cell count in the exposed group were significantly lower than the control group. No significant differences were noted between the two groups as far as other hematological factors were concerned. These findings provide circumstantial evidence to further substantiate the notion that occupational exposure to inhalation anesthetics, under the exposure scenario explained in this study, is associated with subtle, subclinical, prepathologic hematological changes. Long-term consequence and ramifications of these effects require further investigation. The range of exposure levels to anesthetic gases in operating rooms.
- Published
- 2018
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44. Ventilatory disorders associated with occupational inhalation exposure to nitrogen trihydride (ammonia).
- Author
-
Neghab M, Mirzaei A, Kargar Shouroki F, Jahangiri M, Zare M, and Yousefinejad S
- Subjects
- Ammonia analysis, Case-Control Studies, Cross-Sectional Studies, Humans, Inhalation Exposure analysis, Male, Occupational Exposure analysis, Respiratory Function Tests, Ammonia adverse effects, Inhalation Exposure adverse effects, Occupational Diseases chemically induced, Occupational Exposure adverse effects, Respiratory Tract Diseases chemically induced
- Abstract
Respiratory effects of long term exposure to low levels of ammonia have not been thoroughly investigated. In this cross sectional study, 124 male subjects (67 high exposed and 57 low exposed), occupationally exposed to low levels of ammonia and 120 male referent individuals were investigated. Airborne concentrations of ammonia were measured and subjects underwent spirometry tests prior to and at end of their daily work shift. Average concentrations of ammonia in the breathing zones of the high and low exposed employees were found to be 1.35 ± 4.59 and 0.29 ± 0.31 ppm, respectively. Additionally, mean baseline values of some parameters of pulmonary function such as Vital Capacity (VC) and Forced Expiratory Volume in the first second (FEV1) in the high exposed group were significantly lower than those of referent individuals. Similarly, significant reversible cross shift decrements were noted in FEV1, VC and Forced Vital Capacity (FVC) of exposed employees. These findings indicate that exposure to low levels of ammonia is associated with significant chronic irreversible and acute reversible decrements in the lungs' functional capacity.
- Published
- 2018
- Full Text
- View/download PDF
45. Toxic effects of subacute inhalation exposure to trichloroethylene on serum lipid profile, glucose and biochemical parameters in Sprague-Dawley rats.
- Author
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Zamanian Z, Yousefinejad S, Khoshnoud MJ, Golbabaie F, Farhang Dehghan S, Modaresi A, Amanat S, Reza Zare M, and Rahmani A
- Subjects
- Albumins analysis, Alkaline Phosphatase blood, Animals, Lipoproteins, LDL blood, Male, Rats, Sprague-Dawley, Blood Glucose analysis, Inhalation Exposure adverse effects, Lipids blood, Trichloroethylene toxicity
- Abstract
The current study evaluated the inhalation toxicity of trichloroethylene (TCE) at 0, 10, 100, 250 and 400 ppm in Sprague-Dawley rats for 10 day period, because the subacute inhalation toxicity of TCE on serum lipid profile, glucose and some biochemical parameters has not been previously reported. TCE vapors were generated using the dynamic generation system based on evaporation method in the exposure chamber. On the basis of the results, mean serum low-density lipoprotein (LDL) and albumin (ALB) decreased significantly in all the groups exposed to TCE compared with the control group (p < .005), but there was a significant increase for parameters: fasting blood glucose (FBG) and alkaline phosphatase (ALP) (p < .005). Rats exposed to 400 ppm TCE showed a significant decrease in serum cholesterol (CHOL) and protein (Pr) compared with the control group (p < .005). A negative relationship was found between triglycerides (TG), very low density lipoprotein (VLDL), CHOL, LDL, Pr, ALB and urea levels and the subacute exposure to concentrations of TCE (R
2 = -0.26, p < .05), but there was a direct correlation for parameters FBG, ALP and alanine aminotransferase (ALT) (R2 = 0.42, p < .05). In conclusion, studies with Sprague-Dawley rats demonstrated that subacute inhalation exposure to TCE (≥ 100 PPM) is associated with biochemical and lipotoxicity in the form of decreased serum ALB and LDL and raised ALP and glucose levels. The present study also provides additional evidence relating to decreased serum CHOL and Pr after subacute inhalation exposure to 400 ppm TCE.- Published
- 2018
- Full Text
- View/download PDF
46. Evaluation of kenaf fibers as moving bed biofilm carriers in algal membrane photobioreactor.
- Author
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Derakhshan Z, Mahvi AH, Ehrampoush MH, Ghaneian MT, Yousefinejad S, Faramarzian M, Mazloomi SM, Dehghani M, and Fallahzadeh H
- Subjects
- Biodegradation, Environmental, Biological Oxygen Demand Analysis, Biomass, Wastewater chemistry, Atrazine analysis, Biofilms growth & development, Hibiscus chemistry, Microalgae growth & development, Photobioreactors microbiology, Water Pollutants, Chemical analysis
- Abstract
In this lab-scale study, the feasibility of using kenaf fibers as moving bed biofilm carriers in hybrid microalgal membrane photobioreactors (HMPBR) in organic matter and atrazine elimination from real secondary effluent was evaluated. For evaluating the kinetics of biofilm substrate consumption, an experimental model was proposed. Inoculation of wastewater samples with free carriers resulted in the greater removal of target pollutants. Removal efficiency of atrazine and chemical oxygen demand (COD) increased to 27% and 16%, with respect to the control, respectively. The total biomass accumulation in HMPBR exceeded 5g/L, and the microalgae tended to aggregate and attached to biofilm carriers. The removal efficiency of HMPBR improved significantly via inoculation of kenaf fiber carriers with bioremediation microalgal strains (p < 0.01). A lower stabilization ratio (VSS/TSS) was also recorded. The biomass in HMPBR included more lipids and carbohydrates. The results revealed that kenaf fibers could improve and upgrade the biological activity of different wastewater treatment applications, considering the great potential of biofilm carriers and their effluent quality., (Copyright © 2018 Elsevier Inc. All rights reserved.)
- Published
- 2018
- Full Text
- View/download PDF
47. Biodegradation of atrazine from wastewater using moving bed biofilm reactor under nitrate-reducing conditions: A kinetic study.
- Author
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Derakhshan Z, Ehrampoush MH, Mahvi AH, Ghaneian MT, Mazloomi SM, Faramarzian M, Dehghani M, Fallahzadeh H, Yousefinejad S, Berizi E, and Bahrami S
- Subjects
- Biofilms, Bioreactors, Waste Disposal, Fluid, Water Pollutants, Chemical, Atrazine, Biodegradation, Environmental, Wastewater, Water Purification
- Abstract
In this study employed an anoxic moving bed biofilm reactor (AnMBBR) to evaluate the effects of hydraulic and toxic shocks on performance reactor. The results indicated a relatively good resistance of system against exercised shocks and its ability to return to steady-state conditions. In optimal conditions when there was the maximum rate of atrazine and soluble chemical oxygen demand (COD) removal were 74.82% and 99.29% respectively. Also, atrazine biodegradation rapidly declines in AnMBBR from 74% ± 0.05 in the presence of nitrate to 9.12% only 3 days after the nitrate was eliding from the influent. Coefficients kinetics was studied and the maximum atrazine removal rate was determined by modified Stover & Kincannon model (U
max = 9.87 gATZ /m3 d). Results showed that AnMBBR is feasible, easy, affordable, so suitable process for efficiently biodegrading toxic chlorinated organic compounds such as atrazine. Also, its removal mechanism in this system is co-metabolism., (Copyright © 2018 Elsevier Ltd. All rights reserved.)- Published
- 2018
- Full Text
- View/download PDF
48. Simultaneous removal of atrazine and organic matter from wastewater using anaerobic moving bed biofilm reactor: A performance analysis.
- Author
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Derakhshan Z, Mahvi AH, Ghaneian MT, Mazloomi SM, Faramarzian M, Dehghani M, Fallahzadeh H, Yousefinejad S, Berizi E, Ehrampoush MH, and Bahrami S
- Subjects
- Biofilms, Waste Disposal, Fluid, Water Purification, Atrazine isolation & purification, Bioreactors, Wastewater
- Abstract
In this study, an anaerobic moving bed biofilm reactor (AMBBR) was designed to biodegrade atrazine under mesophilic (32 °C) condition and then it was evaluated for approximately 1 year. After biofilm formation, acclimation, and enrichment of microbial population within the bioreactor, the effect of various operation conditions such as changes in the concentration of influent atrazine and sucrose, hydraulic retention time (HRT), and salinity on the removal of atrazine and chemical oxygen demand (COD) were studied. In optimum conditions, the maximum removal efficiency of atrazine and COD was 60.5% and 97.4%, respectively. Various models were developed to predict the performance of atrazine removal as a function of HRT during continuous digestion. Also, coefficients kinetics was studied and the maximum atrazine removal rate was determined by Stover - Kincannon model (r
max = 0.223 kgATZ /m3 d). Increasing salinity up to 20 g/L NaCl in influent flow could inhibit atrazine biodegradation process strongly in the AMBBR reactor; whereas, the reactor could tolerate the concentrations less than 20 g/L easily. Results showed that AMBBR is feasible, easy, affordable, so suitable process for efficiently biodegrading toxic chlorinated organic compounds such as atrazine. There was no accumulation of atrazine in the biofilm and the loss of atrazine in the control reactor was negligible; this shows that atrazine removal mechanism in this system was due to co-metabolism., (Copyright © 2018 Elsevier Ltd. All rights reserved.)- Published
- 2018
- Full Text
- View/download PDF
49. Studies on influence of process parameters on simultaneous biodegradation of atrazine and nutrients in aquatic environments by a membrane photobioreactor.
- Author
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Derakhshan Z, Mahvi AH, Ehrampoush MH, Mazloomi SM, Faramarzian M, Dehghani M, Yousefinejad S, Ghaneian MT, and Abtahi SM
- Subjects
- Nutrients, Waste Disposal, Fluid, Wastewater, Atrazine, Biodegradation, Environmental, Photobioreactors
- Abstract
A Lab scale algal-bacterial membrane photobioreactor (MPBR) was designed and operated under 12-h light and 12-h dark conditions with a light intensity of 8000lx, in order to investigate the effects of initial concentrations of atrazine, carbon concentration, and hydraulic retention time on the ability of this photobioreactor in simultaneous removal of atrazine and nutrients in the continuous mode. The removal efficiencies of atrazine (ATZ), chemical oxygen demand (COD), phosphorus (PO
4 3- -P) and nitrogen (NOx) in optimum condition was more than 95%, 99%, 98% and 97% when the maximum removal rates were 9.5 × 10-3 , 99.231, 11.773 and 7.762mg/L-day, respectively. Results showed that the quality of the effluent was reduced by the increase of atrazine concentration. The outcomes on the hydraulic and toxic shocks indicated that the system has a relatively good resistance to the shocks and can return to the stable conditions. Microalgae showed a great deal of interest and capability in cultivating and attaching to the surface of the membrane and bioreactor, and the total biomass accumulated in the system was greater than 6g/L. The kinetic coefficients of atrazine removal were also studied using various kinetic models. The maximum atrazine removal rate was determined by the modified Stover-Kincannon model. The results approved the ability of the MPBR reactor in wastewater treatment and microalgae cultivation and growth. The decline of atrazine concentration in this system could be attributed to the algal-bacterial symbiosis and co-metabolism process. Accordingly, the MPBR reactor is a practical, simple, economical and therefore suitable process for simultaneous biodegradation of chlorinated organic compounds and nutrients removal from aquatic environments., (Copyright © 2017 Elsevier Inc. All rights reserved.)- Published
- 2018
- Full Text
- View/download PDF
50. Insights into the molecular interaction between two polyoxygenated cinnamoylcoumarin derivatives and human serum albumin.
- Author
-
Khammari A, Saboury AA, Karimi-Jafari MH, Khoobi M, Ghasemi A, Yousefinejad S, and Abou-Zied OK
- Subjects
- Binding Sites, Calorimetry, Chalcone chemistry, Circular Dichroism, Coumarins chemistry, Fluorescence Resonance Energy Transfer, Humans, Hydrogen Bonding, Molecular Docking Simulation, Protein Binding, Protein Structure, Tertiary, Serum Albumin, Human chemistry, Spectrometry, Fluorescence, Static Electricity, Thermodynamics, Coumarins metabolism, Serum Albumin, Human metabolism
- Abstract
Ligand binding studies on human serum albumin (HSA) are crucial in determining the pharmacological properties of drug candidates. Here, two representatives of coumarin-chalcone hybrids were selected and their binding mechanism was identified via thermodynamics techniques, curve resolution analysis and computational methods at molecular levels. The binding parameters were derived using spectroscopic approaches and the results point to only one pocket located near the Trp214 residue in subdomain IIA of HSA. The protein tertiary structure was altered during ligand binding and formed an intermediate structure to create stronger ligand binding interactions. The best binding mode of the ligand was initially estimated by docking on an ensemble of HSA crystallographic structures and by molecular dynamics (MD) simulations. Per residue interaction energies were calculated over the MD trajectories as well. Reasonable agreement was found between experimental and theoretical results about the nature of binding, which was dominated by hydrogen bonding and van der Waals contributions.
- Published
- 2017
- Full Text
- View/download PDF
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