Naphtho[2,1-b]furan derived triazole-pyrimidines as highly potential InhA and Cytochrome c peroxidase inhibitors: Synthesis, DFT calculations, drug-likeness profile, molecular docking and dynamic studies

Napthofuran and its fused heterocyclic derivatives evaluated with varied biological activity functional groups comprise an important class of compounds for new chemical entities. We here in reporting synthesis of new 3-(4-substituted phenyl)naphtho[1′,2′:4,5]furo[2,3-e][1,2,4]triazolo[4,3-c]pyrimidines 6(a-f). Structures of the newly synthesized compounds were confirmed by making use of spectroscopic techniques like IR, NMR and Mass. The DFT calculations were taken for the selected molecules using B3LYP hybrid functional with a 6–31+G (d, p) all-electron basis set using the Gaussian 09 package. The bioactivity predictions were evaluated for the synthesized compounds. The In vitro biological activities were reported for the all compounds 6(a-f). The compound 6a showed high activity of anti-TB and antioxidant activity with at MIC 1.6 μg/ml and at percentage of inhibition (72.54±0.21) at 10μg/ml respectively. The compound 6f (73.21±0.11) showed antioxidant activity better than standard drug BHA (71.32±0.13) at 10 μg/ml. Furthermore, the docking studies for the newly synthesized molecules were carried out by Auto dock software with proteins InhA (4TZK),Cytochrome c peroxidase (2 × 08) and protease (Mpro) of SARS-CoV-2 Omicron (PDB ID: 7TOB). All the compounds showed a strong binding affinity for the docked proteins. The outcome of docking results showed that compound 6ahad excellent binding energies -10.8, -9.4, and -9.0 kcal/mol with 4TZK, 2 × 08, and 7TOB respectively. Lastly, the protein stability, fluctuations of APO-Protein, protein-ligand complexes were investigated through Molecular Dynamics (MD) simulations studies using Desmond Maestro 11.3 and potential lead molecules were identified. © 2023

Review on distribution, fate, and management of potentially toxic elements in incinerated medical wastes.

Medical wastes include all solid and liquid wastes that are produced during the treatment, diagnosis, and immunisation of animals and humans. A significant proportion of medical waste is infectious, hazardous, radioactive, and contains potentially toxic elements (PTEs) (i.e., heavy metal (loids)). PTEs, including arsenic (As), cadmium (Cd), lead (Pb) and mercury (Hg), are mostly present in plastic, syringes, rubber, adhesive plaster, battery wastes of medical facilities in elemental form, as well as oxides, chlorides, and sulfates. Incineration and sterilisation are the most common technologies adopted for the safe management and disposal of medical wastes, which are primarily aimed at eliminating deadly pathogens. The ash materials derived from the incineration of hazardous medical wastes are generally disposed of in landfills after the solidification/stabilisation (S/S) process. In contrast, the ash materials derived from nonhazardous wastes are applied to the soil as a source of nutrients and soil amendment. The release of PTEs from medical waste ash material from landfill sites and soil application can result in ecotoxicity. The present study is a review paper that aims to critically review the dynamisms of PTEs in various environmental media after medical waste disposal, the environmental and health implications of their poor management, and the common misconceptions regarding medical waste.

Seasonal variation and ecological risk assessment of Pharmaceuticals and Personal Care Products (PPCPs) in a typical semi-enclosed bay — The Bohai Bay in northern China

The Bohai Bay as a typical semi-enclosed bay in northern China with poor water exchange capacity and significant coastal urbanization, is greatly influenced by land-based inputs and human activities. As a class of pseudo-persistent organic pollutants, the spatial and temporal distribution of Pharmaceuticals and Personal Care Products (PPCPs) is particularly important to the ecological environment, and it will be imperfect to assess the ecological risk of PPCPs for the lack of systematic investigation of their distribution in different season. 14 typical PPCPs were selected to analyze the spatial and temporal distribution in the Bohai Bay by combining online solid-phase extraction (SPE) and HPLC-MS/MS techniques in this study, and their ecological risks to aquatic organisms were assessed by risk quotients (RQs) and concentration addition (CA) model. It was found that PPCPs widely presented in the Bohai Bay with significant differences of spatial and seasonal distribution. The concentrations of ∑PPCPs were higher in autumn than in summer. The distribution of individual pollutants also showed significant seasonal differences. The high values were mainly distributed in estuaries and near-shore outfalls. Mariculture activities in the northern part of the Bohai Bay made a greater contribution to the input of PPCPs. Caffeine, florfenicol, enrofloxacin and norfloxacin were the main pollutants in the Bohai Bay, with detection frequencies exceeding 80 %. The ecological risk of PPCPs to algae was significantly higher than that to invertebrates and fish. CA model indicated that the potential mixture risk of total PPCPs was not negligible, with 34 % and 88 % of stations having mixture risk in summer and autumn, respectively. The temporary stagnation of productive life caused by Covid-19 weakened the input of PPCPs to the Bohai Bay, reducing the cumulative effects of the pollutants. This study was the first full-coverage investigation of PPCPs in the Bohai Bay for different seasons, providing an important basis for the ecological risk assessment and pollution prevention of PPCPs in the bay. © 2022 Elsevier B.V.

Plasmonic nanobiosensors for detection of different targets

Plasmonic nanobiosensors have an enormous application range. It has the capacity to detect a wide variety of substances including metal, protein and even nucleic acids due to the superiority of SPR and LSPR. Plasmonic biosensors have been widely applied in the field of disease diagnosis, environmental conservation and food safety, eliminating barriers of traditional diagnosis methods and providing sensitive, quick and label-free devices. The applications of plasmonic biosensors in detection of many concerned diseases like cancer and SARS-CoV-2 are making an improvement on our medical condition. In the field of environmental protection, plasmonic-based biosensors also show great potential. They can efficiently detect two main types of contaminants, inorganic heavy metals involving Pb, Cd, As and Hg, and organic pollutants like polycyclic aromatic hydrocarbons (PAHs). Plasmonic biosensors could also overcome challenges on food allergen detection. This paper mainly focusses on SPR and LSPR-based nanobiosensors' application in environmental protection, food safety and health-care. © 2022 SPIE. Downloading of the is permitted for personal use only.

Hydrophobic RuO2/Graphene/N-doped porous carbon hybrid catalyst for Li-air batteries operating in ambient air

Li–air batteries have received significant attention for their ultrahigh theoretical energy density. However, the byproducts induced by attacking air hinder the conversion of Li–O2 batteries to Li–air batteries. Humidity is one of the main obstacles, not only causing side reactions with the discharge products but also leading to rapid corrosion of the lithium anode. Here, we fabricated a novel composite hydrophobic catalyst by loading RuO2 and graphene on N-doped porous carbon. The catalyst was endowed with hydrophobicity and showed superior catalytic performance and low affinity to water in the air. A Li–air battery equipped with this novel composite catalyst exhibited eminent cycling performance in pure oxygen (over 470 h), humid oxygen [∼40% relative humidity (RH), over 310 h], and ambient air (∼42% RH, over 330 h) at a current density of 500 mA g−1, and the discharge specific capacity increased from 13122.1 to 19358.6 mAh g−1. © 2022

The 5th Indonesian Society of Limnology (MLI) Congress and International Conference 2021

The 5th Indonesian Society of Limnology (MLI) Congress and International Conference 2021 is a biannual conference organized by the Indonesian Society of Limnology, with the theme is “Building synergies towards sustainable use of inland waters.” This year due to the COVID-19 pandemic, we hold the event virtually from 2nd to 3rd December. The objectives of this event are to (1) Connect, discuss, share and create a mutual network among communities from different backgrounds who are interested in inland waters ecosystem;(2) Disseminate science & technology and lessen the gap between scientific and common communities through fruitful discussion settings;(3) Underpin sustainable use and management of inland aquatic ecosystems.There were four keynotes speakers, four invited speakers, and 66 general presenters in the conference sessions. In total, 116 participants were registered and joined the conference. The first keynote speaker was Prof. Dr. Gadis Sri Haryani from the Research Center for Limnology and Water Resources, National Research and Innovation Agency of the Republic of Indonesia (BRIN), Indonesia, who presented research about Migratory freshwater fish in Indonesia: Threats and conservation efforts. The second presenter was Dr. Robert Walsh from the Australian Water Life, Australia, who presented research about Discover the world of Micro-invertebrates. The third keynote speaker was Dr. Khamla Inkhavilay from the National University of Laos, Lao PDR, who presented Persistent Organic Pollutants in Wetland of Mekong Basin. The fourth speaker was Dr. Kwanraree Joy Sirikanchana from the Chulabhorn Research Institute, Thailand, who presented Microbial Source Tracking and Quantitative Microbial Risk Assessment for Sustainable Water Pollution Management.In addition, the four invited speakers and 66 general presenters split into four rooms for parallel discussions which covered the latest research on inland water ecosystems, including;(1) Biotic resources, biodiversity, and conservation;(2) System Dynamic of inland waters;(3) Applied technology for the management and pollution control;(4) Modelling, system information, decision support tool, disaster risk reduction;(5) Management, policies, regulation, education, social, economy, and culture.We highly appreciate the generous support from Research Centre for Limnology-BRIN (Indonesia), Australian Water Life (Australia), Chulabhorn Research Institute (Thailand), National University of Laos (Lao PDR), Southeast Asian Limnological Network (SEALnet), Advisory Board, Steering and Organizing committee and all presenters and participants.List of Committees, Advisory Board, Steering Committee, Scientific Committee, Organizing Committee, Documentation, all photos are available in this pdf.

Adsorption of Different Pollutants by Using Microplastic with Different Influencing Factors and Mechanisms in Wastewater: A Review.

The studies on microplastics are significant in the world. According to the literature, microplastics have greatly specific surface areas, indicating high adsorption capacities for highly toxic pollutants in aquatic and soil environments, and these could be used as adsorbents. The influencing factors of microplastic adsorption, classification of microplastics, and adsorption mechanisms using microplastics for adsorbing organic, inorganic, and mixed pollutants are summarized in the paper. Furthermore, the influence of pH, temperature, functional groups, aging, and other factors related to the adsorption performances of plastics are discussed in detail. We found that microplastics have greater advantages in efficient adsorption performance and cost-effectiveness. In this paper, the adsorptions of pollutants by microplastics and their performance is proposed, which provides significant guidance for future research in this field.

PM-Bound Polycyclic Aromatic Hydrocarbons and Nitro-Polycyclic Aromatic Hydrocarbons in the Ambient Air of Vladivostok: Seasonal Variation, Sources, Health Risk Assessment and Long-Term Variability.

Total suspended particles (TSP) were collected in Vladivostok, Russia, which is a typical port city. This study investigated the concentration, potential sources, and long-term variation in particle PAHs and NPAHs in the atmosphere of Vladivostok. The PAH and NPAH concentrations were higher in winter than in summer (PAHs: winter: 18.6 ± 9.80 ng/m3 summer: 0.54 ± 0.21 ng/m3; NPAHs: winter: 143 ± 81.5 pg/m3 summer: 143 ± 81.5 pg/m3). The diagnostic ratios showed that PAHs and NPAHs mainly came from vehicle emissions in both seasons, while heating systems were the main source of air pollution in winter. The TEQ assessment values were 2.90 ng/m3 and 0.06 ng/m3 in winter and summer, respectively, suggesting a significant excess cancer risk in the general population in winter. The ILCR values conveyed a potential carcinogenic risk because the value was between 1 × 10-5 and 1 × 10-7 and ingestion was a main contributor in Vladivostok. However, it is worth noting that the concentrations of PAHs and NPAHs showed an overall downward trend from 1999 to 2020. An important reason for this is the cogenerations project implemented by the Far Eastern Center for Strategic Research on Fuel and Energy Complex Development in 2010. This research clarified the latest variations in PAHs and NPAHs to provide continuous observation data for future chemical reaction or model prediction research.

Recommendations for the management of hospital hazardous waste under principles of the circular economy in 8 public hospitals in Honduras

Honduran legislation establishes the procedures and those responsible for ensuring the environmental management of hazardous waste generated in health facilities. The objective of this research is to present a general Honduran national panorama related to the management of waste generated in health facilities. Since the beginning of 2020, health systems in the world have been put to the test due to the global health emergency caused by SARS-CoV-2. The increase in the generation of hazardous waste led the municipal authorities to make wrong decisions related to their management, using open burning as the final disposal technique, increasing the generation of dioxins and furans to mention one of the effects negatives of the selected technique, the estimates made indicate the emission of 83,616 g TEQ/y in the air and soil. The general lines that hospitals must follow to make the transition towards circularity are established. © 2021 IEEE.