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Medicinal and Environmental Chemistry: Experimental Advances and Simulations is a collection of topics that highlight the use of pharmaceutical chemistry to assess the environment or make drug design and chemical testing more environment friendly. The eleven chapters included in the second part of this book set cover diverse topics, blending the fields of environmental chemistry and medicinal chemistry and have been authored by experts, scientists and academicians from renowned institutions. This part is more specialized in nature, focusing primarily on the effects of air pollution and water contamination on human health. Chapters covering pharmaceutical interventions and pollution control measures, respectively follow these initial topics. Part II also features specialized topics that aim to address some unique challenges of the above mentioned problems including antibiotic pollution, pharmaceutical analysis of pollutants, chemosensors, biosteric modifications and new drug development strategies against SARS-CoV2. Key Features:1. 11 topics which blend environmental chemistry and medicinal chemistry2. Contributions from more than 40 experts3. Includes topics covering effects of air pollution on human health and disease4. Includes specialized topics on pharmaceutical analysis in the environment, and modifications of compounds for pharmaceutical purposes5. Bibliographic references This reference is an essential source of information for readers and scholars involved in environmental chemistry, pollution management and pharmaceutical chemistry courses at graduate and undergraduate levels. Professionals and students involved in occupational medicine will also benefit from the wide range of topics covered.
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Seitenzahl: 447
Veröffentlichungsjahr: 2021
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In recent years, our environment has deteriorated at an alarming rate. Be it the air we breathe, the water we drink, or the food we eat—the hazards are hitting closer to home. Consequently, there has been a deluge of diseases and disorders associated with environmental pollution, industrialization, lifestyle changes, etc. From cardiovascular diseases and growth defects to neurological disorders and stress, these environmental diseases have been coupled with other environmental threats like pollution, climate change, food shortage, and novel infections and have made the study of environmental chemistry indispensable in present times. In the development of more effective and safer therapies that would cater to diseases both old and new, the study of medicinal chemistry is vital to determine accurate knowledge of drugs, their structure, synthesis, pharmacology, and pharmacokinetics.
Environmental diseases have brought about a close association between these two branches of chemistry as well as pharmaceutical chemistry. It gives me great pleasure that this book brings them together on one platform. This book aims to provide a better comprehension of environmental problems as well as remedial strategies to amend them and includes an assorted collection of topics presented by experts from academia, research, and development.
I think that the authors can be confident that readers will gain a broader perspective of the disciplines of environmental chemistry, medicinal chemistry, and pharmaceutical chemistry as a result of their efforts.
With the drastic disturbance in environmental harmony and balance, there has been a rise in global deaths and diseases, calling for the exploration of novel remediation strategies for innovative drug action mechanisms and target identification. The fine balance between human and ecological health is getting disturbed, leading to serious implications including the occurrence of new pathogens and diseases, including the novel corona virus SARS-CoV-2, being the most recent instance having gripped the entire globe.
Environmental diseases are non-communicable and are caused by chronic exposure to toxic pollutants. Other contributory causes of environmental diseases include radiation, pathogens, allergens, and psychological stress. Their increasing occurrence is due to industrialization, changes in farming protocols, and the increase in exposure to chemicals released into the environment. Lifestyle changes, including the increased use of tobacco and processed foods also greatly contribute to the environmental/lifestyle diseases burden.
Though medicinal chemistry and environmental chemistry have been widely explored separately, yet their close association and interdependence have been overlooked. By exploring the association between these two focal areas, the present book aims to provide solutions and curative strategies for the well-being of humans and the environment.
The twenty-one chapters included in the book are focused on diverse topics trying to blend the fields of environmental chemistry and medicinal chemistry and have been authored by expert scientists and academicians from renowned institutions. A wide range of topics has been explored in the book, to make it relevant to environmental chemists and students. The chapters have been designed to introduce environmental contaminants and techniques for their quantification and removal. Also, a medicinal perspective for remediation of environmental hazards, from therapeutic strategies available to the design of new and safer drugs, is introduced through experimental and simulation approaches.
Specialized chapters have been dedicated to persistent organic pollutants, heavy metals, antibiotics, and plastics, which have become a major source of pollution, along with their remediation. The biochemical aspect of Cytochrome P450 and its association with mitigation strategy upon the exposure of smog on the human body, the effect of environmental xenoestrogens on human health, and the potential of natural curing agents to combat ecotoxicity have also been explored. Experimental techniques like the use of quantification methods for pharmaceuticals and persistent organic pollutants, chemosensors and polymeric ceramic composite membranes, and the concept of nanotechnology for the synthesis and use of gold and silver nanoparticles from plant-based sources have also been elaborated. To further elaborate on the importance of safe chemical practise, the concept of green chemistry has been introduced.
As we are aware that drug discovery for a particular disease is a time taking endeavour, therefore, a few chapters have also been dedicated to in-silico predictions like molecular docking and virtual models for biological properties, the software used and their utility to make futuristic and accurate predictions to make drug discovery efficient, quicker and cost-effective. Chapters summarizing the advances of biomolecular simulations for drug designing with respect to ecotoxicity, drug degradation, use of bioisosteric groups, and advances in pharmaceutical and modelling interventions for the treatment of COPD are also included. An interesting chapter has also explained the ligand identification for effective drug development through virtual screening by taking the example of COVID-19.
The book will prove beneficial for academicians, students of environmental chemistry and pharmacy, researchers, scientists, computational chemists, pharmacologists, environmentalists, policymakers, and postgraduate students. It would also provide researchers and medicinal chemists, information about the latest research done and the modern techniques used to develop more effective and safer drugs that would not be harmful to the environment. In this way, the proposed book would be highly beneficial to the audience it hopes to cater to.
Air pollution is a major environmental health threat due to the increasing rate of morbidity and mortality associated with it. The World Health Organization (WHO) classified particle pollution (PM10 and PM2.5), tropospheric ozone (O3), carbon monoxide (CO), sulfur oxides (SOx), nitrogen oxides (NOx), and lead as six major air pollutants. Particulate matter (PM) can penetrate the respiratory system, causing respiratory and cardiovascular diseases. Stratospheric ozone plays a protective role against ultraviolet irradiation, but ozone is harmful when present in the troposphere, affecting the respiratory and cardiovascular systems. Nitrogen oxide, sulfur dioxide, carbon monoxide, and lead are harmful to humans causing respiratory problems, such as Chronic Obstructive Pulmonary Disease, asthma, bronchiolitis, lung cancer, and cardiovascular events. The only possible way to cope with this problem is through public awareness coupled with a multidisciplinary approach by scientific experts. The Government of India made the Pollution Prevention and Control Act, 1981, for the prevention of air pollution. Prime Minister Narendra Modi launched the Ujjwala scheme on 1st May 2016, from the Balia district in Uttar Pradesh. The scheme is aimed at replacing unclean cooking fuels. The Ministry of Environment, Forest, and Climate change has started the National Environment Health Profile (NHEP) study, involving 20 cities, to assess health effects associated with environmental exposure. The National Clean Air Programme (NCAP) has also been launched for pan-India implementation to tackle the increasing air pollution problem in the country (102 cities); the tentative national level target is 20%–30% reduction of particulate concentration by 2024.
The interactions between humans and the surrounding environment have been extensively studied. The environment is an interplay of the biotic (living organisms) and the abiotic (hydrosphere, lithosphere, and atmosphere) components. Pollution is described as the addition of hazardous substances in the
environment that decreases the quality of the environment for living organisms. Human activities have the biggest adverse impact on the environment by polluting air, water, and soil. The industrial revolution has added a huge concentration of pollutants by emissions, which are harmful to human health. Globally, air pollution is considered as the major environmental health risk by the WHO [1]. Various studies have regularly revealed the detrimental effects of air pollution on human health. Air pollution leads to 7 million deaths globally due to its health hazards. In India also, 1.2 million deaths are attributed to it. The air we breathe consists of emissions from various sources like the industrial sector, automobiles, power industry, chemicals from factories, radioactive substances from nuclear power plants and household fuels along with tobacco smoke. Human lungs are the organs of respiration and are responsible for the delivery of oxygen to all the tissues. This oxygen that we breathe is given by plants and trees. Around 10,000 litres of air pass in and out through the lungs every 24 hours, and 10,000 litres of blood passes through the lungs every 24 hours; out of this 10,000 litre of air and 350 litres of oxygen is delivered every day to our body (Fig. 1). We humans breathe 25,000 times a day. We can live without food for 3 weeks; we can live without water for 3 days, but we can live without air for only 3 minutes. That is why oxygen is called ‘Pran-Vayu’.
Fig. (1)) Representation of the human lungs.Air pollution has a huge impact on the normal morphology and functioning of the lungs. Air pollution’s impacts on health have been extensively studied in recent years. Various studies show that air pollution is harmful to human health and predominantly for those who are already susceptible individuals, like children and the elderly or people having chronic health problems. The epidemiological studies suggest that harmful health effects are based on the concentrations of the pollutants and the time of exposure to them. The effect of long-term exposure is more hazardous than short-term exposure to air pollution [2, 3].
Air pollution has been defined as chemicals added in high concentrations to the atmosphere by natural events or human activities, enough to be harmful. Annually, various substances are released into the air from both natural sources and man-made (anthropogenic) activities. The use of fossil energy sources, growth of the manufacturing industry, and the use of chemicals result in growing air pollution [4]. Deforestation is also a major cause for the increase in air pollution; 50% of forests have been destroyed in the last 50 years in India which is leading to an imbalance in various environmental cycles and 6500 million trees are destroyed every year in our country. Smoking is also a significant contributor to air pollution.
There are two categories of air pollutants-
These are the harmful substances emitted directly into the atmosphere, for example- CO, CO2, NO, NO2, SO2, most hydrocarbons, and most particulates.
Fig. (2)) Important sources of air pollution.These are the harmful substances formed in the atmosphere when a primary air pollutant reacts with substances normally found in the atmosphere or with other air pollutants. For example, HNO2, H2SO4, HNO3, SO3, H2O2, O3, most nitrates (NO3-), sulphates (SO42-), and most PANs.The important sources of air pollution have been described in Fig. (2).
-Indoor air pollution
-Outdoor air pollution
Indoor air pollution [5] is also a major contributor to total air pollution. There are many sources of indoor air pollution, the most important one being biomass fuel (Fig. 3). Around 3 billion people still do their cooking and heat their homes using solid fuels (i.e., wood, crop wastes, charcoal, coal, and dung) in open fires and leaky stoves. Most are poor and live in low- and middle-income countries.
Other indoor air pollutants include radon, cigarette smoke, carbon monoxide, nitrogen dioxide, formaldehyde, pesticides, lead, cleaning solvents, ozone, and asbestos.
Environmental tobacco smoking (ETS) or third-hand smoke is a mix of chemicals that results from burning tobacco (bidi, cigarettes, cigars, and pipes) and exhaled smoke [6]. No level of exposure to ETS is safe and it can lead to serious health issues, like heart disease and lung cancer.
Fig. (3)) (a) Active smoking, (b) Passive smoking, (c) Biomass fuel exposure.According to the Global Adult Tobacco Survey of India (2016-2017), 38.7% of adults are exposed to second-hand smoke at home. 30.2% of adults who work indoors are exposed to second-hand smoke at their workplace. 7.4% of adults are exposed to second-hand smoke at restaurants. The World Health Organization classified particle pollution (PM10 and PM2.5), ground-level ozone (O3), carbon monoxide (CO), sulfur oxides (SOx), nitrogen oxides (NOx), and lead as six major air pollutants. Air pollution can harm the environment and poses a severe threat to living organisms. So, our interest is mainly to emphasize these pollutants as they are identified with wide-ranging and severe impacts on human health and the environment. Air pollution also has an important ecological impact on acid rain, global warming, the greenhouse gas effect, and climate change [1].
Recent studies have indicated an association between PM and harmful health effects, focusing on either short-term (acute) or long-term (chronic) PM exposure. Chemical reactions between various types of pollutants in the atmosphere form particulate matter. The infiltration power of particles is mainly dependent on their size [6]. PM pollution includes particles with diameters of 10 micrometres (μm) or less, denoted as PM10, and extremely fine particles with diameters of 2.5 micrometres (μm) and less, denoted as PM2.5. Due to the small size, it can be inhaled and causes serious respiratory ill effects [7]. After inhalation, PM10 can invade the lungs and even infiltrate the bloodstream. PM is divided into four main categories according to type and size (Table 1) [9].
The PM produces harmful effects related to its chemical and physical properties. In nature, PM10 and PM2.5 substances can be organic (polycyclic aromatic hydrocarbons, dioxins, benzene, 1-3 butadiene) or inorganic (carbon, chlorides, nitrates, sulfates, metals) [7].
Extremely fine particles, PM2.5, pose a greater health risk due to greater penetration power as they can penetrate even the alveolar cells (Table 2) [8].
Half-lives of PM10 and PM2.5 particles in the environment are extended due to their smaller size; this allows their long-lasting suspension in the environment and even their transfer and coverage to distant destinations, where people and the environment may be exposed to the same level of pollution [6]. As stated, PM2.5, because of its small size, causes more severe health effects. These above-mentioned fine particles are the main source of the ‘haze’ formation in various metropolitan cities [9].
AQI is an overall scheme that transforms individual air pollutant (e.g., SO2, CO, PM10) levels into a single number, which is a simple and lucid description of air quality for the citizens. AQI relates to health impacts and helps citizens to avoid unnecessary exposure to air pollutants. AQI indicates compliance with National Air Quality Standards. It prompts local authorities to take quick actions to improve air quality (Fig. 4). AQI guides policymakers to take broad decisions and encourages citizens to participate in air quality management.
O3 is a gaseous particle derived from oxygen, under the influence of high voltage electric discharge in the atmosphere [10]. Generally, it is formed in the stratosphere, but it could also form in the troposphere by chain reactions of photochemical smog [11]. Ozone moves with air and can travel to distant areas from the source [12]. Amazingly, ozone levels over cities are low in comparison to the increased amounts occurring in urban areas, and it could become detrimental for forests, and vegetation by reducing carbon assimilation [13, 14]. Ozone affects the growth and yield of crops [15, 16]. Ozone acts as a strong oxidizer and increases DNA damage in skin cells and leads to compromised cellular function [17]. Harmful effects of ozone are documented in urban areas all over the world, causing biochemical, morphological, functional, and immunological diseases [18].
Carbon monoxide is formed by the incomplete combustion of fossil fuels. The inhalation of CO affects health, causing headache, dizziness, weakness, nausea, vomiting, and, finally, loss of consciousness. The binding affinity of CO to haemoglobin is 250 times greater than that of oxygen. When people are exposed to CO for a long time, it results in hypoxia, ischemia, and cardiovascular diseases due to the loss of oxygen by competitive inhibition of CO. Increasing level of CO affects the greenhouse gases equilibrium of the environment and is also responsible for global warming and climate change [19].
Nitrogen oxides are transportation-related pollutants, mainly discharged from automobile combustion engines [20]. NOx acts as an irritant and penetrates deep in the lung, causing respiratory diseases, coughing, wheezing, dyspnea, bronchospasm, and even pulmonary oedema when inhaled at high concentration. Besides, NOx can damage the quality of fabrics by fading the colour [21].
SO2 is a harmful gas, emitted mainly from the burning of fossil fuel or industrial activities. SO2 emissions by industrial activities are responsible for respiratory inflammation, bronchitis, mucus production, and bronchospasm. Also, SO2 damages the skin and eyes (lacrimation and corneal opacity) and mucous membranes by irritation. Susceptible people, such as those with lung disease, older people, and children, are more vulnerable to long-term exposure to SO2 [21]. SO2 also damages the environment by acidification of soil and causes acid rain [22].
The heavy metal, lead, is used in various industrial sectors and is emitted from petrol engines used in the automobile sector, batteries, radiators, waste incinerators, and wastewaters. Lead exposure can occur through inhalation, ingestion, and dermal absorption. After inhalation, it accumulates in the blood, soft tissue, liver, lungs, bones, and the cardiovascular, nervous, and reproductive systems [23]. It acts as a neurotoxin and causes mental disabilities, impedance of memory, and hyperactivity [24]. An increased concentration of lead in the atmosphere is harmful to plant and crop yield [25].
Air pollution has a detrimental effect on the health of people leading to various disabilities and eventually to death. Many respiratory problems and other health problems are coming up these days due to increasing levels of air pollution. In India, 12.4 lakh people die every year due to air pollution [26].
People living in a polluted atmosphere face side effects of air pollution and experience disease symptoms. These effects are caused by both short-term and long-term exposure, affecting human health. It is necessary to make people aware of the harmful effects of air pollution, especially those who are vulnerable, such as older people, children, and people with diabetes and predisposing heart or lung disease, especially asthma.
Air Quality Index is also related to the health impacts on individuals. Cities with poor AQI will have serious health impacts as compared to cities having good AQI (Table 4-5).
Effects of short-term exposure to air pollutants are temporary and include uneasiness, irritation of the eyes, nose, skin, throat, wheezing, coughing and chest tightness, and breathing difficulties. Short-term exposure can be serious for patients having asthma, pneumonia, bronchitis, and lung and heart problems. It also causes headaches, nausea, and dizziness. Moreover, long-term exposure to air pollutants causes severe problems, being harmful to the neurological, reproductive, and respiratory systems, and causes cancer and even death. Air pollution's impact on health is also dependent on the geography of the nation, area, climatic conditions, and time. PMs, dust, benzene, and O3 cause severe injury to the respiratory system [26]. Furthermore, there is an aggravated risk in case of a preexisting respiratory disease, like asthma [27].
Fig. (5)) Hazards of Smoking.Various studies have found that exposure to ambient air pollutants is associated with decreased lung function and increased airway sensitivity in asthmatic children. The level of O3 is directly related to the exacerbation and development of asthma [28, 29].
Chronic Obstructive Pulmonary Disease (COPD) is most commonly associated with tobacco smoking; however, various studies suggest that it may be induced by air pollution and increases the rate of morbidity and mortality in developing and developed countries. The prevalence of COPD in non-smokers ranges from 1.1 to 40% in different countries associated with traffic-related pollution, indoor air pollution by fossil fuel combustion, and secondary smoking [30, 31]. It is documented that improving indoor air quality in households decreases the frequency of COPD [32].
It is believed that tobacco smoking is the most important cause of lung cancer, however, recent studies demonstrate that tobacco smoking is not the only reason for lung cancer [33]; it may also occur due to long-term exposure to air pollutants [34, 35] (Fig. 6). The International Agency for Research on Cancer announced outdoor air pollutants and related PM as class I human carcinogens, based on scientific data generated from humans, animal models, and mechanistic studies [36]. Children, the elderly and people with chronic diseases are most affected by respiratory infection through air pollution [37, 38].
Fig. (6)) (a) Healthy and (b) Polluted Lung.Exposure to air pollutants results in various cardiovascular effects. Long-term exposure to air pollutants modifies the blood cells and affects the cardiac system, causing defects like coronary arteriosclerosis [39]. Short-term exposure results in hypertension, stroke, myocardial infarction, and heart insufficiency [40]. Long-term exposure to air pollutants affects the nervous system of adults and children, causing psychological complications, autism, retinopathy, and low birth weight [22] (Fig. 7). It is also seen that long-term exposure to air pollutants causes premature death, impaired fertility, and birth defects.
In 2018, WHO organized a Global Conference on Air Pollution and Health and declared to achieve a goal of reducing two-thirds of deaths from air pollution by 2030. An effective solution could be envisaged for the regulation of increasing air pollution by the collaboration of authorities, environmental regulatory bodies, and doctors.
United Nations (UN) has time to time organized meetings and set a goal for the reduction of environmental pollution, to cope with global climate change, such as The Kyoto Protocol in 1997, Copenhagen summit of 2009, the Durban summit of 2011, and recently the Paris Agreement of 2015. Governments should focus on education, training, public awareness, and public participation for the awareness of climate change and environmental pollution [41].
The government of India (GOI) made Pollution Prevention and Control Act, 1981, for the prevention of air pollution, also called the ‘Air Act’. According to the World Health Organization, 9 of the world's 10 most polluted cities are from India (Kanpur, Faridabad, Gaya, Varanasi, Patna, Delhi, Lucknow, Agra, and Gurgaon), among which Kanpur is the most polluted city (PM2.5-173 mg/mm3). GOI initiated a multicenter study titled ‘National Environmental Health Profile study’ in the 20 most polluted cities of India, in 2018; the main objective of the study is to find out the level of air pollution and its harmful effects on human health [42].
The National Clean Air Programme (NCAP), launched on 10th January 2019, by GOI, is a time-bound (five-year action plan) national strategy for pan India implementation, to tackle the increasing air pollution problem in the country (102 cities). Its tentative national level target is a 20%-30% reduction of PM2.5 and PM10 concentration by 2024 [43].
Fig. (7)) Pyramid of Effects.The mainstay of tackling the menace of air pollution is the prevention, reduction, and management at the source of generation of the air pollutants. For example, the development of renewable energy in buildings, such as establishing solar lights, will help reduce air pollution due to biomass burning. Various awareness programs should be held to motivate the masses to reduce the emission of harmful air pollutants. Strict laws should be framed, and their proper enactment should be ensured. The health effects of air pollution, especially diseases like COPD, asthma, and Occupational Related Lung Disease must be treated accordingly [44].
Prime Minister Narendra Modi's Ujjwala scheme, which gives LPG connections at affordable rates to the women living below the poverty line, was launched on 1st May 2016, from Balia in Uttar Pradesh. The scheme is aimed at replacing the unclean cooking fuels mostly used in rural India with the clean and more efficient LPG (Liquefied Petroleum Gas). This campaign (Fig. 8) has benefitted 8 crores, poor families of India, to date [45].
Fig. (8)) Pradhan Mantri Ujjwala Yojana.Restrictions on deforestation and plantation of more and more plants, minimized urbanization processes, use of latest technology in industries, minimum use of vehicles and promotion of CNG vehicles, promoting solar energy technology, promoting LPG use in the rural areas, are some activities which can minimize air pollution. The Uttar Pradesh government planted 22 crore plants in 2019 to increase the forest cover of the state and it will also help to reduce the harmful effects of increasing air pollution [46].
The author has already started a campaign many years ago, of giving saplings in place of bouquets, on any auspicious occasion like birthday, anniversary, etc.
Not Applicable.
The author confirms that this chapter contents have no conflict of interest.
Declared none.