Investigation of organic micropollutant pollution in Izmit Bay: a comparative study of passive sampling and instantaneous sampling techniques.

In this study, we used a comprehensive array of sampling techniques to examine the pollution caused by organic micropollutants in Izmit Bay for the first time. Our methodology contains spot seawater sampling, semi-permeable membrane devices (SPMDs) passive samplers for time-weighted average (TWA), and sediment sampling for long-term pollution detection in Izmit Bay, together. Additionally, the analysis results obtained with these three sampling methods were compared in this study. Over the course of two seasons in 2020 and 2021, we deployed SPMDs for 21 days in the first season and for 30 days in the second season. This innovative approach allowed us to gather sea water samples and analyze them for the presence of polycyclic aromatic hydrocarbons (Σ15 PAHs), polychlorinated biphenyls (Σ7 PCBs), and organochlorine pesticides (Σ11 OCPs). Using SPMD-based passive sampling, we measured micropollutant concentrations: PAHs ranged from 1963 to 10342 pg/L in 2020 and 1338 to 6373 pg/L in 2021; PCBs from 17.46 to 61.90 pg/L in 2020 and 8.37 to 78.10 pg/L in 2021; and OCPs from 269.2 to 8868 pg/L in 2020 and 141.7 to 1662 pg/L in 2021. Our findings revealed parallels between the concentrations of PAHs, PCBs, and OCPs in both SPMDs and sediment samples, providing insights into the distribution patterns of these pollutants in the marine ecosystem. However, it is worth noting that due to limited data acquisition, the suitability of spot sampling in comparison to instantaneous sampling remains inconclusive, highlighting the need for further investigation and data collection.

Spatial distribution, source identification and ecological risk assessment of POPs and heavy metals in lake sediments of Istanbul, Turkey.

Istanbul needs to be protected and constantly monitored water resources due to its increasing population and the decrease in precipitation. This study aims to comprehensively reveal surface sediments collected from reservoirs that supply water to Istanbul concerning POPs (PAHs, PCBs, and OCPs) and heavy metals; to identify possible sources of PAHs, and conduct their ecological risk assessment. Pollution indices in this study were used as contamination degree (CD) contamination factor (CF), geoaccumulation index (Igeo), pollution load index (PLI) and Sediment Quality Guidelines (SQGs). Total PAH concentrations of surface sediments at the sampling points ranged from 46.29 ng/g (A7) to 403.9 ng/g (A15). Benzo(b)fluoranthene (5.647-59.42 ng/g), Pyrene (3.625-83.10 ng/g), Fluoranthene (3.363-66.48 ng/g), Phenanthrene (3.115-52.48 ng/g), Chrysene (3.532-43.98 ng/g), Naphthalene (6.606-36.20 ng/g), Benzo(g,h,i)perylene (3.316-41.73 ng/g) and Indeno(1,2,3-c,d)pyrene (3.453-38.84 ng/g) are the dominant PAH compounds. PAH pollution may be caused by the village-town settlements near the dam and the O7-D020 highway. Total OCP concentration ranged from 2.233 ng/g (A12) to 7.337 ng/g (A1), while total PCB concentration ranged from 0.246 ng/g (A13) to 3.708 ng/g (A1). The lowest total OCP and PCB concentrations were found in surface sediments taken from Kazandere, Papuçdere and Alibey Dam lakes. DDT p,p (0.072-5.177 ng/g) has the highest concentration among all sediment samples. While the most dominant OCP compounds in the samples were DDT p,p, DDE p,p and DDD p,p, HCH alpha, HCH beta, respectively, PCB 153, 138 and 180 were the highest detected PCB congeners in the same samples. Total heavy metal concentration varied from 77,812 mg/kg to 267,072 mg/kg. According to PAH diagnostic analysis, the surface sediments of Terkos, Büyükçekmece, Elmali, Darlik, Sazlidere, Alibey and Ömerli Dams were polluted by petrogenic sources, while the surface sediments of Kazandere and Papuçdere Dams were affected by pyrogenic sources. None of the levels of POPs in the samples exceeded the ERM values. Slight and moderate contamination of heavy metals, such as Pb and Zn, were present in most of the sampling points according to CD, CF, PLI and Igeo values. The quality criteria of heavy metals showed that almost all of the sampling points had Cd, Pb and Hg concentrations below the ERL values. The Ni concentrations at most of the sampling points significantly exceeded the ERM values. The concentrations of As, Cr, Cu and especially Ni and Zn exhibit a significant toxic risk to aquatic organisms to sediment quality criteria.

Monitoring the antioxidant activities by extracting the polyphenolic contents of algae collected from the Bosphorus.

The identification and quantification of ascorbic acid, phenolic acids and flavonoids were carried out simultaneously with a rapid method of reverse-phase high-performance liquid chromatography (RP-HPLC). Total flavonoid contents were being determined by UV-Vis spectrophotometry, and total phenolic contents were determined by UV-Vis spectrophotometry using the Folin-Ciocalteu Reagent (FCR) method. In all of the individual contents and total phenolic content analysis, the best results were obtained with the methanol-water solvent system. The methanol-hexane solvent system was selected as the best for the extraction of total flavonoid contents. The reason for this difference is the flavonoids in the analyzed samples which were the lipophilic character. Examining the algae species, the highest contents were achieved from Ulva lactuca and Ceramium rubrum species. Depending on industrial activity and the population density, regional characteristics have been shown to be effective in the changes of these contents which show antioxidant properties.

4D-QSAR Studies Using a New Descriptor of the Klopman Index: Antibacterial Activities of Sulfone Derivatives Containing 1, 3, 4-Oxadiazole Moiety Based on MCET Model.

INTRODUCTION: In this paper, we have introduced a new atomic descriptor with Klopman index to determine the local reactive sites of the molecular systems during electrophilic, and nucleophilic attacks. This index, similar to other local reactivity descriptors but more advanced, has been used as a realistic descriptor to discover new aspects of molecular structure. METHODS: Nonlinear Least Squares (NLLS) methods to define the parameters maximizing the fit between the observed points and the computed simulation results were performed according to the Levenberg- Marquardt (LM) algorithm. We have attempted to demonstrate the structural properties of compounds that contribute not only basic pharmacophore (b-Pha) but also positive (Auxiliary Group- AG) or negative (Anti-Pharmacophore Shielding-APS) due to the new local atomic reactivity. RESULTS AND CONCLUSION: In the 4D-QSAR study, nonparametric regression analysis was used to determine the adjustable constants. Using the leave One Out Cross-Validation (LOO-CV), antibacterial activities (pEC50-µM) were predicted as r2 loo-cv (q2) = 0.979, r2 pred (r2) = 0.911, respectively, for 27 training sets and 9 test set compounds. Also, the rm2 (overall) value, which indicates the closeness between the predicted and corresponding observed data, was calculated to be 0.957. The model obtained by the Molecular Conformer Electron Topological (MCET) method was compared with the q2 loo-cv and R2 non-cv values determined by the CoMFA and CoMSIA methods and more satisfactory results were obtained.