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The social and economic impact of the COVID-19 pandemic demands a reduction of the time required to find a therapeutic cure. In this paper, we describe the EXSCALATE molecular docking platform capable to scale on an entire modern supercomputer for supporting extreme-scale virtual screening campaigns. Such virtual experiments can provide in short time information on which molecules to consider in the next stages of the drug discovery pipeline, and it is a key asset in case of a pandemic. The EXSCALATE platform has been designed to benefit from heterogeneous computation nodes and to reduce scaling issues. In particular, we maximized the accelerators' usage, minimized the communications between nodes, and aggregated the I/O requests to serve them more efficiently. Moreover, we balanced the computation across the nodes by designing an ad-hoc workflow based on the execution time prediction of each molecule. We deployed the platform on two HPC supercomputers, with a combined computational power of 81 PFLOPS, to evaluate the interaction between 70 billion of small molecules and 15 binding-sites of 12 viral proteins of SARS-CoV-2. The experiment lasted 60 hours and it performed more than one trillion ligand-pocket evaluations, setting a new record on the virtual screening scale.
ABSTRACT
We obtained cross-sectional repeated measures self-report survey data on workplace safety and health and wellness from newer, early-to-mid-career New Jersey (NJ) secondary or high school (HS) teachers supervising work-based learning on- and off-campus in specific career clusters within career-technical-vocational education. This cohort study in the 2021-2024 school years (SYs) is a unique opportunity. It immediately proceeded the 2019-2021 SYs. Due to COVID-19, most 2020 2nd semester (3/18-6/30/2020) and 2020-2021 SY in-person classes went online;extracurricular activities were cancelled or substantially altered for online/virtual substitutes;and, no-to-little in-person HS teaching and off- or on-campus activities. Upon return 8-9/2021, classrooms, labs, shops, etc. were cleaned. Data suggested risks of human exposure to chemical agents from cleaning, disinfecting and sanitation consumer products use, given concerns about viral (and bacterial) loads collecting and potentially remaining on frequently contacted surfaces. We present study design, recruitment data, and selected survey content responses from ongoing research 2021-2024. © 2022 17th International Conference on Indoor Air Quality and Climate, INDOOR AIR 2022. All rights reserved.
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Six phthalates: dimethyl phthalate (DMP), diethyl phthalate (DEP), di(n-butyl) phthalate (DnBP), butyl benzyl phthalate (BBzP), di(2-ethylhexyl) phthalate (DEHP), and di(n-octyl) phthalate (DOP) in settled dust on different indoor surfaces were measured in 30 university dormitories. A Monte Carlo simulation was used to estimate college students' exposure via inhalation, non-dietary ingestion, and dermal absorption based on measured concentrations. The detection frequencies for targeted phthalates were more than 80% except for DEP (roughly 70%). DEHP was the most prevalent compound in the dust samples, followed by DnBP, DOP, and BBzP. Statistical analysis suggested that phthalate levels were higher in bedside dust than that collected from table surfaces, indicating a nonuniform distribution of dust-phase phthalates in the sleep environment. The simulation showed that the median DMP daily intake was 0.81 μg/kg/day, which was the greatest of the targeted phthalates. For the total exposures to all phthalates, the mean contribution of exposures during the daytime and sleeping time was 54% and 46%, respectively.
ABSTRACT
Nowadays, lignin is a byproduct of the agricultural and cellulose pulp mill. Lignin is a sustainable, renewable raw material alternative to petroleum‐based chemicals, mainly for the benzene–toluene–xylene (BTX) production of commodities and the sequential secondary, tertiary and manufactured products in the petrochemical industry. It can be mass produced and is used for renewable energy biorefinery or high‐value‐added products. This review aims to outline the important lignin depolymerization technologies and the feasibility of imposing these transforming technologies on a large scale. Finally, this review examines the market prospects for BTX, revealing its R&D progress. However, the harmful effects of BTX and unfavorable conditions resulting from the COVID‐19 pandemic comprise roadblocks to its growth. However, the increasing use of biobased BTX is expected to open new market opportunities. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd. [ FROM AUTHOR] Copyright of Biofuels, Bioproducts & Biorefining is the property of John Wiley & Sons, Inc. and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full . (Copyright applies to all s.)
ABSTRACT
The Sugar Milling Research Institute NPC (SMRI) has provided the South and southern African sugar industry with analytical services for more than 50 years. The need for an internationally-recognised quality assurance system to provide SMRI members and their customers with the necessary confidence in the results that they were receiving was recognised more than 25 years ago, and it culminated in the SMRI Analytical Services Division achieving ISO/IEC Guide 25:1990 accreditation in 1998. The SMRI analytical laboratory has since successfully progressed through the ISO/IEC 17025:1999 and ISO/IEC 17025:2005 iterations to the current ISO/IEC 17025:2017 standard. The SMRI has therefore had to continually expand the scope of its systems over the past 25 years, in order to match the updated requirements. The system is used for the analysis of weekly composite mixed juice and final molasses samples from all the SMRI South African member mills and some southern African member mills. Similarly, raw and white sugar analyses are conducted, with the reporting of results to the members' specifications. Critical to the accuracy of these results is the continual auditing and monitoring of the methods, equipment and chemical solutions that are used in the analysis methods. This is achieved by using Certified Reference Materials and control samples, as well as participating in internationally-recognised analytical proficiency schemes. Critical to the success of the laboratory in maintaining its accreditation is the competence of the laboratory staff who undergo continual training and assessments. This was demonstrated in 2020 and 2021, when they were able to continue providing the necessary services, despite the challenges faced during the Covid pandemic.
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The low degradability of waste plastics will continue to pollute the environment, and the spread of the COVID-19 has exacerbated the use and accumulation of plastics, and thus the efficient treatment of waste plastic resources has become an urgent technical problem to be solved. By analyzing several mainstream waste plastics treatment technologies, it was clear that resourceful and high value-added utilization technology was the most competitive and environmentally friendly waste plastics treatment route in the market. The research progress of high value-added utilization technology of waste plastics at home and abroad in recent years were reviewed. The development and variation of conventional thermal cracking technology were discussed. Through this route, the highest yield of waste plastics into fuel products can reach 97%—98%. It was pointed out that the conversion of waste plastics into jet fuel, high value-added chemicals and functional materials for special applications through chemical, catalytic and biological technologies was the mainstream research direction and development trend in this field. Among them, the yield of conversion to high value-added monomer could reach more than 97%, so as to realize the upgrading of plastic waste from the primary treatment stage of "waste clearance” to "turning waste into use” and "turning waste into treasure”, and help China achieve the goal of "double carbon”。. © 2023 Chemical Industry Press. All rights reserved.
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Plastic waste pollution is becoming one of the most pressing environmental crises due to the large-scale production without satisfactory recycling schemes, especially with the outbreak of the COVID-19 pandemic in recent years. Upcycling of plastic waste into valuable chemicals powered by solar energy presents a substantially untapped opportunity to turn waste into treasure. In this review, the fundamental principles from plastic nonselective degradation to selective synthesis are first clarified. Then, we aim to outline the representative recent advances in photoredox-based catalytic plastic waste conversion. Particular emphasis is placed on the valorization of plastic waste regarding nonselective degradation versus selective synthesis. Finally, we present challenges and individual insights for further exploration of the plastic waste conversion domain. It is anticipated that this timely and critical review would provide an instructive direction and foresight on the selective conversion of plastics to value-added chemical feedstocks, thus stimulating the development of a circular and sustainable plastic economy in the coming decades. © 2023 American Chemical Society.
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African Americans who earn US$50,000-60,000 annually - solidly middle class - are exposed to much higher levels of industrial chemicals, air pollution and poisonous heavy metals, as well as pathogens, than are profoundly poor white people with annual incomes of $10,000. The main culprits include indifference and ignorance, inadequate testing of industrial chemicals, racism, housing discrimination, corporate greed and lax legislation from, in the United States, a weakened Environmental Protection Agency. Black and minority ethnic people are also more likely to live in 'deprived' areas that are closer to sources of industrial pollution - from leadtainted water in Flint, Michigan, to nerve gas, arsenic and polychlorinated biphenyls in Anniston, Alabama.
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The coronavirus (COVID-19) is a global public health pandemic disease emerged from the novel strain of the coronavirus 2 (SARS-CoV-2) that caused severe acute respiratory syndrome. It is the most significant respiratory illness that has affected the world since World War II. Currently, there is no globally approved drug for the treatment of pandemic COVID-19 except for some recently approved vaccines. Instead, various non-specific treatment options are being utilized by different countries. While some of these are effective, there is a lack of well-documented studies on the impact of traditional medicines on the management of SARS-CoV-2 in vitro and in silico. For thousands of years, traditional healers have been using various herbs and spices products and dietary plants to treat various diseases. This review aims to provide information on the use of traditional spices & herbs in COVID-19 protection and treatment and present the main characteristics of these products and their potential antiviral actions. Various databases were searched for articles related to the use of various herbs for the treatment of viral infections. Many of these studies show that various plant compounds can be utilized for the treatment of viral infections. This study aims to summarize the common used of herbal products and dietary supplements with potent bioactive compounds in treatment or prevent of COVID-19.
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Halliburton uses the term "local content" to describe programs to develop and use local resources in providing our services in that host country. Local content requirements vary by country, but commonly include providing employment opportunities to local citizens, procurement of goods and services from within the country, manufacturing and value addition through partnerships with and development of local entities, training programs to develop the technical skills of local individuals and businesses, and carry out research and development for finding indigenous alternates of imported materials. In almost all cases, local content requirements are mandated by the laws of the countries where we operate. Adhering to and improving local content is an important part of Halliburton's commitment to support the countries in which it operates and it also brings benefits for both Halliburton and local communities. In this paper, we share a case study of how Halliburton carried out the process of localizing chemical manufacturing in Saudi Arabia, the steps taken, and support extended in developing the local suppliers. Meeting local content requirements requires precise collaboration and communication between regional and country management teams, compliance with host country laws and regulations, adherence to Halliburton company policies, and meeting the quality standards the National Operating Company which is the end user in most cases. The methodology for achieving effective localization results started with setting the right strategy and putting challenging but achievable targets. This localization initiative exemplifies company efforts to create value in every aspect of the company's business through the In-Kingdom Total Value Add (iktva) program mandated by the national operating company in the country. Having a local source of manufacturing and supply chain mitigates any disruptions like the one we saw during COVID 19 whereby the movement across borders was partially closed and supply chain globally was disrupted. Any local souring effectively diminishes the impact of any such disruptions. This initiative considered more than 50 Halliburton commercial chemical products and resulted in more than 10 successful replacements. Halliburton was able to export three products to company's operations outside Saudi Arabia. Partnering with Saudi Aramco, chamber of commerce and local manufacturers and suppliers in this program will drive additional domestic value creation to support a rapidly changing economic environment and foster future prosperity. Copyright © 2022, International Petroleum Technology Conference.
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The European fabric fairs for the autumn/winter 2023/24 season were held in a hesitant spirit, reflecting economic uncertainties affecting the whole of the textile and clothing industry. The industry has faced persistent disruptions to supply chains caused by lockdowns, which have continued to be imposed in major textile and clothing producing countries in an attempt to stem the spread of COVID-19. Furthermore, the war in Ukraine has introduced additional challenges—including difficulties in procuring raw materials and sharp increases in fuel and energy costs. At the same time, calls for the European textile and clothing industry to take action to reduce the damaging impact of its operations on the environment have intensified. It was evident at the fairs that many exhibitors had acknowledged these calls in the development of their product ranges for the autumn/winter 2023/24 season. Many had turned to eliminating dyes which contain harmful synthetic chemicals from their ranges and some had collaborated with leading innovators in the development of dyes which contain natural pigments, plant-based materials and, in some cases, fermented foodstuffs. For several exhibitors, it was important to replace finishing treatments which contain toxic chemicals with finishing treatments containing natural substances while for others the key considerations were traceability and transparency in the design and development of their ranges. The key colours for the autumn/winter 2023/24 season are rich and earthy, although there are some exceptions to this trend. Notably, grey is prominent—and silver is the principal metallic colour of the season. Print and pattern are prominent in collections for the season and, importantly, eccentric and fantastical graphic designs dominate. Designs which feature and surrealist imagery are prevalent while designs which are influenced by folklore and classical antiquity are popular. Also popular are designs which feature photographic imagery of landscapes and urban scenery, and designs which feature hand drawn illustrations, references to pop art, and collage. © Textiles Intelligence Limited 2022.
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What do environmental contaminants and climate change have in common with the virus SARS-CoV-2 and the disease COVID-19? We argue that one common element is the wealth of basic and applied scientific research that provides the knowledge and tools essential in developing effective programs for addressing threats to humans and social-ecological systems. Research on various chemicals, including dichlorodiphenyltrichloroethane and per- and polyfluoroalkyl substances, resulted in regulatory action to protect environmental and human health. Moreover, decades of research on coronaviruses, mRNA, and recently SARS-CoV-2 enabled the rapid development of vaccines to fight the COVID-19 pandemic. In the present study, we explore the common elements of basic and applied scientific research breakthroughs that link chemicals, climate change, and SARS-CoV-2/COVID-19 and describe how scientific information was applied for protecting human health and, more broadly, socio-ecological systems. We also offer a cautionary note on the misuse and mistrust of science that is not new in human history, but unfortunately is surging in modern times. Our goal was to illustrate the critical role of scientific research to society, and we argue that research must be intentionally fostered, better funded, and applied appropriately. To that end, we offer evidence that supports the importance of investing in scientific research and, where needed, ways to counter the spread of misinformation and disinformation that undermines legitimate discourse. Environ Toxicol Chem 2023;42:581-593. © 2022 SETAC.
Subject(s)
COVID-19 , Ecotoxicology , Humans , SARS-CoV-2 , Pandemics , EcosystemABSTRACT
In this study, we report a one-pot, green, cost-efficient, and fast synthesis of plant-based sulfur and nitrogen self-co-doped carbon quantum dots (S,N-CQDs). By 4-min microwave treatment of onion and cabbage juices as renewable, cheap, and green carbon sources and self-passivation agents, blue emissive S,N-CQDs have been synthesized (λex/λem of 340/418 nm) with a fluorescence quantum yield of 15.2%. A full characterization of the natural biomass-derived quantum dots proved the self-doping with nitrogen and sulfur. The S,N-CQDs showed high efficiency as a fluorescence probe for sensitive determination of nitazoxanide (NTZ), that recently found wide applicability as a repurposed drug for COVID-19, over the concentration range of 0.25–50.0 μM with LOD of 0.07 μM. The nanoprobe has been successfully applied for NTZ determination in pharmaceutical samples with excellent % recovery of 98.14 ± 0.42. Furthermore, the S,N-CQDs proved excellent performance as a sensitive fluorescence nanoprobe for determination of hemoglobin (Hb) over the concentration range of 36.3–907.5 nM with a minimum detectability of 10.30 nM. The probe has been applied for the determination of Hb in blood samples showing excellent agreement with the results documented by a medical laboratory. The greenness of the developed probe has been positively investigated by different greenness metrics and software. The green character of the proposed analytical methods originates from the synthesis of S,N-CQDs from sustainable, widely available, and cheap plants via low energy/low cost microwave-assisted technique. Omission of organic solvents and harsh chemicals beside dependence on mix-and-read analytical approach corroborate the method greenness. The obtained results demonstrated the substantial potential of the synthesized green, safe, cheap, and sustainable S,N-CQDs for pharmaceutical and biological applications. © 2022 Elsevier B.V.
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In accordance with global economic prosperity, the frequencies of food delivery and takeout orders have been increasing. The pandemic life, specifically arising from COVID-19, rapidly expanded the food delivery service. Thus, the massive generation of disposable plastic food containers has become significant environmental problems. Establishing a sustainable disposal platform for plastic packaging waste (PPW) of food delivery containers has intrigued particular interest. To comprise this grand challenge, a reliable thermal disposable platform has been suggested in this study. From the pyrolysis process, a heterogeneous plastic mixture of PPW was converted into syngas and value-added hydrocarbons (HCs). PPW collected from five different restaurants consisted of polypropylene (36.9 wt%), polyethylene (10.5 wt%), polyethylene terephthalate (18.1 wt%), polystyrene (13.5 wt%), polyvinyl chloride (4.2 wt%), and other composites (16.8 wt%). Due to these compositional complexities, pyrolysis of PPW led to formations of a variety of benzene derivatives and aliphatic HCs. Adapting multi-stage pyrolysis, the different chemicals were converted into industrial chemicals (benzene, toluene, styrene, etc.). To selectively convert HCs into syngas (H2 and CO), catalytic pyrolysis was adapted using supported Ni catalyst (5 wt% Ni/SiO2). Over Ni catalyst, H2 was produced as a main product due to C[sbnd]H bond scission of HCs. When CO2 was used as a co-reactant, HCs were further transformed to H2 and CO through the chemical reactions of CO2 with gas phase HCs. CO2-assisted catalytic pyrolysis also retarded catalyst deactivation inhibiting coke deposition on Ni catalyst. © 2022 Elsevier B.V.
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We are all exposed to endocrine-disrupting chemicals (EDCs) starting from embryonic life. The fetus and child set up crucial developmental processes allowing adaptation to the environment throughout life: they are extremely sensitive to very low doses of hormones and EDCs because they are developing organisms. Considering the developmental origin of well-being and diseases, every adult organism expresses consequences of the environment in which it developed. The molecular mechanisms through which the main EDCs manifest their effects and their potential association with endocrine disorders, such as diabetes, obesity, thyroid disease and alteration of adrenal hormones, will be reviewed here. Despite 40 years having passed since the first study on EDCs, little is yet known about them; therefore, our purpose is to take stock of the situation to establish a starting point for further studies. Since there is plenty of evidence showing that exposure to EDCs may adversely impact the health of adults and children through altered endocrine function-suggesting their link to endocrinopathies-it is essential in this context to bear in mind what is already known about endocrine disruptors and to deepen our knowledge to establish rules of conduct aimed at limiting exposure to EDCs' negative effects. Considering that during the COVID-19 pandemic an increase in endocrine disruptor effects has been reported, it will also be useful to address this new phenomenon for better understanding its basis and limiting its consequences.
Subject(s)
COVID-19 , Endocrine Disruptors , Child , Adult , Humans , Endocrine Disruptors/toxicity , Child Health , Pandemics , HormonesABSTRACT
Boron-hydrogen (B-H) materials are used as hydrogen and heat sources, due to their reducing potential. It has been shown again with the COVID-19 pandemic that greenhouse gas activities are anthropogenic in origin. In particular, the conversion of carbon dioxide (CO2) into valuable chemicals has an important place in the fight against the climate crisis. The conversion of anthropogenic CO2 into valuable chemicals has important implications for a habitable world. In many studies in the literature, boron hydrides have been used to produce, hydrogen and convert carbon dioxide into valuable chemicals. Formic acid and methanol obtained by hydrogenation can be seen as the clean energy movement of the future with its value in hydrogen storage. The type of valuable chemicals that will be formed by the hydrogenation of CO2 is directly related to the method to be followed. The type of catalyst used, or how much hydrogen molecule interacts with CO2, determines the valuable chemical that will form. Disturbances in the thermodynamics of the hydrogenation of CO2 have been tried to be eliminated by various types of catalysts and necessary condition optimizations. Many catalysts and methods developed for the hydrogenation of CO2 were examined. This study discusses the use of B-H materials via catalytic conversion of CO2 into valuable chemicals in terms of critical factors such as reaction conditions, selection of catalyst, and solvent. © 2022 Proceedings of WHEC 2022 - 23rd World Hydrogen Energy Conference: Bridging Continents by H2. All rights reserved.
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In order to reveal the impact of Covid-19 on special work of chemical production enterprises in China, including Chinese funded, Sino foreign joint venture, foreign funded and foreign funded joint venture enterprises. The mutual influences between the two were studied by collecting safety commitment and Covid-19 logs in Zhejiang Province, and correlation method and event study were adopted. Although the level of Covid-19 was lowered to level 3 on March 23 by Zhejiang Province, it would take 46 days, 31 days, 61 days and 46 days for the four types to return to the normal special work level respectively. Therefore, for similar major public health events, chemical production enterprises should timely avoid their impact on special operation activities related to normal inspections and maintenances. © 2022 ACM.
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Nowadays, lignin is a byproduct of the agricultural and cellulose pulp mill. Lignin is a sustainable, renewable raw material alternative to petroleum-based chemicals, mainly for the benzene-toluene-xylene (BTX) production of commodities and the sequential secondary, tertiary and manufactured products in the petrochemical industry. It can be mass produced and is used for renewable energy biorefinery or high-value-added products. This review aims to outline the important lignin depolymerization technologies and the feasibility of imposing these transforming technologies on a large scale. Finally, this review examines the market prospects for BTX, revealing its R&D progress. However, the harmful effects of BTX and unfavorable conditions resulting from the COVID-19 pandemic comprise roadblocks to its growth. However, the increasing use of biobased BTX is expected to open new market opportunities. (c) 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.
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Wastewater-based epidemiology has proven to be a supportive tool to better comprehend the dynamics of the COVID-19 pandemic. As the disease moves into endemic stage, the surveillance at wastewater sub-catchments such as pump station and manholes is providing a novel mechanism to examine the reemergence and to take measures that can prevent the spread. However, there is still a lack of understanding when it comes to wastewater-based epidemiology implementation at the smaller intra-city level for better granularity in data, and dilution effect of rain precipitation at pump stations. For this study, grab samples were collected from six areas of Seattle between March-October 2021. These sampling sites comprised five manholes and one pump station with population ranging from 2580 to 39,502 per manhole/pump station. The wastewater samples were analyzed for SARS-CoV-2 RNA concentrations, and we also obtained the daily COVID-19 cases (from individual clinical testing) for each corresponding sewershed, which ranged from 1 to 12 and the daily incidence varied between 3 and 64 per 100,000 of population. Rain precipitation lowered viral RNA levels and sensitivity of viral detection but wastewater total ammonia (NH4+-N) and phosphate (PO43--P) were shown as potential chemical indicators to calibrate/level out the dilution effect. These chemicals showed the potential in improving the wastewater surveillance capacity of COVID-19.
Subject(s)
COVID-19 , SARS-CoV-2 , Humans , COVID-19/epidemiology , Wastewater , Wastewater-Based Epidemiological Monitoring , Calibration , Pandemics , RNA, ViralABSTRACT
BACKGROUND: The European Human Biomonitoring Initiative (HBM4EU) is a joint program evaluating humans' exposure to several environmental substances and their potential health effects. One of the main objectives of HBM4EU is to make use of human biomonitoring (HBM) to assess human exposure to chemicals in Europe to better understand the associated health impacts and to improve chemical risk assessment. In parallel to HBM studies, health examination surveys (HESs), nutrition/dietary surveys, and disease specific health surveys are conducted in many European countries. In HESs, information collected by questionnaire(s) is supplemented with physical examinations and analysis of clinical and biological biomarkers in biological samples. HBM and health examination survey (HES) use similar data collection methods and infrastructures hence the feasibility of combining these two is explored in this paper. METHODS: Within HBM4EU, three feasibility studies (in Finland, Germany, and UK/England) were conducted to evaluate opportunities and obstacles of combining HBM and health studies. In this paper we report lessons learned from these feasibility studies. RESULTS: The Finnish feasibility study called KouBio-KUOPIO study was a new initiative without links to existing studies. The German feasibility study added a HBM module to the first follow-up examination of the LIFE-Adult-Study, a population-based cohort study. The UK feasibility integrates a sustainable HBM module into the Health Survey for England (HSfE), an annual health examination survey. Benefits of combining HBM and HESs include the use of shared infrastructures. Furthermore, participants can receive additional health information from HES, and participation rates tend to be higher due to the potential to obtain personal health information. Preparatory phases including obtaining ethical approval can be time-consuming and complicated. Recruitment of participants and low participation rates are common concerns in survey research and therefore designing user-friendly questionnaires with low participant burden is important. Unexpected events such as the COVID-19 pandemic can cause substantial challenges and delays for such studies. Furthermore, experiences from several countries demonstrated that long-term funding for combined studies can be difficult to obtain. CONCLUSIONS: In the future, incorporating HBM modules into existing HESs can provide a feasible and cost-effective method to conduct HBM studies and obtain a wide range of relevant data to support public health policies and research.