Books/Book Chapters/Edited Books

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    Novel Drug Development Strategies- A Case Study With SARS-CoV-2
    (Bentham Science, 2021) Iqbal Azad, Tahmeena Khan, Mohammad Irfan Azad, Abdul Rahman Khan
    The current epidemic of Severe Acute Respiratory Syndrome coronavirus (SARS-CoV-2) has led to a major health crisis in 2020. SARS-CoV-2 has spike protein, polyproteins, nucleoproteins, and membrane proteins with RNA polymerase, 3-chymotrypsin-like protease, papain-like protease, helicase, glycoprotein, and accessory proteins. These are probable targets to be explored for the discovery of antiviral agents, still, to date, no definite treatment or vaccine has been discovered. Virtual screening with molecular docking has its advantage to speed up the drug development procedure in an accurate manner. In this chapter, novel computational strategies for drug discovery have been elaborated. Docking tools and drug filtering rules which may efficiently assist the drug development procedure and channelize the whole process in the right direction have also been discussed. A case study with 322 natural, semi-synthetic, and synthetic derivatives of citric acid (2-hydroxy-1,2- 3-propane tricarboxylic acid), in search of a potential lead molecule to combat the novel coronavirus SARS-CoV-2, has been elaborated. The derivatives were explored from the PubChem database. The obtained library of compounds was filtered through Lipinski’s rules, out of which, 74 obeyed the rule and were further subjected to molecular docking investigation against the SARS-CoV-2 replicase polyprotein 1a or pp1a (ID: 6LU7), with AutoDock Vina and iGEMDOCK. Deptropine possessed the highest binding affinity, in terms of released binding energy (-7.4 kcal/mol), against the SARS-CoV-2 replicase polyprotein 1a.
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    Antibiotic Pollution: Challenges and Strategies
    (Bentham Science, 2021) Saman Raza, Tahmeena Khan
    Antibiotics have been used as antimicrobial agents to fight a variety of infectious diseases, for the past more than 100 years. Apart from this, they are also extensively used in animal farming, agriculture, and aquaculture, all over the world. However, this frequent and large-scale overuse and incorrect use lead to the excessive dispersal of antibiotics in water and soil, resulting in their accumulation in the environment, which is known as antibiotic pollution. The removal of antibiotics from water and soil is complicated due to their non-biodegradable nature, and special techniques must be used for the same. This pollution has serious implications on both human health and the ecological balance. The major adverse effect is antibiotic resistance, wherein, microbes become less susceptible to treatment with antibiotics, posing problems for both the patient and the physician. This chapter describes the causes and consequences of antibiotic pollution, the challenges it presents, and the strategies to counter them.
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    Studies on Polymeric Ceramic Composite Membranes for Water Treatment
    (Bentham Science, 2021) Fakhra Jabeen, Qazi Inamur Rahman, Miad Ali Siddiq
    Environmental chemistry is the study of chemical processes occurring in the environment for understanding the diverse issues related to human health and resource conservation. These significant effects may be felt on a global scale, through the presence of water pollutants or toxic substances arising from chemical waste. The increasing world population, rapid industrialization, and human activities have resulted in higher water demand throughout the world. The fast spread of contamination problems worldwide and their effects on the natural resources of water led to the evolution of environmental chemistry. This evolution relies on the different membranes technology to facilitate the scientific investigations on the contamination extent and optimize remediation efforts. Polymeric ceramic composite membranes comprise a captivating field of membrane separation technology. Rapid development and innovation have been done in the modification of these membranes. These membranes have superiority in terms of high temperature and chemical resistance, higher chemical, and mechanical stability, and have higher longevity. All these outstanding features have made these membranes ideal for water treatment and desalination applications. This chapter is a review of the development, and the use of polymer composite membranes in treating wastewater. A brief description of synthesizing these membranes through different routes is given and is reviewed critically.
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    Green Chemistry: Making Chemistry Environment-Friendly
    (Bentham Science, 2021) Sangeeta Bajpai, Saman Raza, Iqbal Azad, Tahmeena Khan
    Chemistry is all around the universe. Green chemistry underpins the enormous social and technological changes in the future. Beginning from eco-friendly chemical synthesis to green catalyst via green chemical reactions, it finds a good correlation with the environment, taking biosynthesis and biomimetic principles into consideration. Widespread interest in this field is seen today among scientists. Considering the present scenario of “The age of tools”, the compatibility with technology today is of utmost importance. Green chemistry is one of the powerful tools to cut the Gordian knot of pollution by reducing chemicals in the surroundings to make them eco-friendly. This chapter emphasizes the various aspects of green chemistry, from its principles to its applications, leading to a sustainable eco-friendly future.
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    Basics of Drug Designing Through Small Organic Molecules and Their Toxicological Impact on The Environment
    (Bentham Science, 2021) Mohd Azhar Khan, Arif Ali, Fakhra Jabeen, Malik Nasibullah, Tahmeena Khan, Musheer Ahmad, Qazi Inamur Rahman
    In the most basic sense, drug design involves designing molecules that are complementary in shape and charge to the biomolecular target with which they interact, and therefore will bind to it. The therapeutic potential of an organic molecule-based chemotherapeutic candidate is influenced by the basic functional groups, where the stereo-arrangement and stereo-selectivity of groups enhance the therapeutic benefits. Stereo-selective organic molecules in different configurations show diverse activity, such as (R) and (S) enantiomers of ibuprofen are effective pain killers but only (S) naproxen has inflammatory activity. Similarly, the transformation of diethyl stilbesterol has potential estrogenic activity and not the cis form. The softness or hardness of drugs depends on the functionality of organic molecules; mostly, the presence of hydroxyl and carboxylic groups improves the softness. This chapter deals with effective drug designing, including the structure-activity relationship and the influence of various functional groups on the activity of a drug compound. The toxicological impact of drugs on the environment has also been explored. In recent times, it has been successfully studied that residue of drugs could enter the ecosystem through the water channel. It directly or indirectly impacts soil, groundwater, and surface water, and creates environmental and health problems
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    Role of Artificial Intelligence in Teaching and Learning Chemical Sciences
    (Bentham Science Publishers Pte. Ltd. Singapore, 2024) Shahla Tanveer, Mariyam Tanveer, Ayesha Tanveer
    Artificial Intelligence (AI) is revolutionizing our everyday tasks, and education has certainly not been left behind. AI harnesses technologies such as machine learning, natural language processing, and deep learning, to execute tasks and elevate our problem-solving capabilities. The infinite possibilities that arise due to interactions between atoms and molecules further leading to bond formation are nearly impossible for a human to comprehend. Thus, AI is playing a vital role in understanding chemistry by accelerating research, designing novel molecules, and optimizing processes. AI plays a diverse role, from assisting in drug discovery research to identifying new drug targets to supporting personalized learning experiences that aid students in their learning journeys. AI-powered adaptive learning system identifies a student’s performance and tailor the learning requirements accordingly. Students receive real-time feedback and personalised content helping them to understand the concepts more easily. AI is being used to develop interactive simulations and customized learning programs to help students learn chemistry more efficiently. Virtual laboratories driven by AI provide a safe and reachable environment for hands-on experience. This allows students to be inquisitive about chemical reactions, molecular structures, and their spectroscopic analysis in a risk-free environment. Some examples include Chat GPT, which helps create a customized learning experience for students while helping them answer their queries, an AI-powered tutoring system known as Socratic, which helps the students learn chemistry concepts, and Molecules in Motion (an AI-powered simulation) to inspect the behaviour of molecules. This chapter discusses how the union of AI and chemical sciences has accelerated innovation in the field of chemistry and can further improve learning outcomes.
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    Chemistry of ionic liquid with its classification and applications
    (Elsevier, 2023) Arif Ali, Saima Kamaal Mohd Muslim , Musheer Ahmad, Mohd Afzal, Saleem Javed, Qazi Inamur Rahman
    Ionic liquids have had a wide range of impact in every field of science and technology. Ionic liquids have great potential at academic and industrial levels. The Protonic nature of ionic liquids (ILs) generates electrons at very low irradiation of light. In water splitting, imidazole based ILs generate electron and oxidation-reduction processes occurring and produce hydrogen fuel from water. Cationic and anionic parts are getting a lot of attention in the application of electrochemical processes. ILs are liquid below 100 °C that mobilized ion in the solution. Beyond electrochemical applications, the functionality of ILs is good adsorbent for harmful organic compounds through post-combustion catalysis and also used for extraction, energy production, reproduction of water and so on. ILs may also be useful in organic synthesis instead of organic catalysts such as catalytic conversion of CO2, alkylation, substitution, elimination, acylation, oxidation, addition, esterification, condensation, and halogenation. Because of green synthesis of ILs, these are less toxic in nature.
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    Photocatalytic Wastewater Remediation using Nanoparticles Present Challenges and Future Outlook
    (CRC Press, 2024) Adil Shafi, Nafees Ahmad, Shah Imtiaz, Sabeeha Jabeen, Ashaq Hussain Bhat, Suhail Sabir, Mohammad Zain Khan
    Increasing water pollution and scarcity of clean drinking water is a growing concern around the world. Huge amount of chemicals such as dyes, chlorophenols, and pesticides are dumped into the water bodies through diverse means that pose a serious thr¬eat to both terrestrial and aquatic life. Several conventional techniques such as coagulation, disinfection, sludge drying, fluoridation and pH correction have been used to treat contaminated water. Most of the methods used so far face some limitations of high cost, incomplete disinfection, formation of secondary pollutants etc. Nanotechnology is the innovative technology to detect the finest contaminants from water sources and provide best solutions to mitigate these pollutants in the environment. Photocatalytic remediation using nanocatalysts is one such solution and can be considered as a safe and sustainable approach to decontaminate wastewater. Photocatalytic technology offers a great promise and has been demonstrated as an effective, versatile and green technique for environmental remediation. Photocatalysis is an advanced oxidation technique that can degrade the pollutants by generating highly reactive species on exposure to UV light, ozone or hydrogen peroxide. In this chapter, we highlighted the current perspective of photocatalysis as an environment sustainable technique and have explained the futuristic scenario for addressing the global water crisis.
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    Preparation and applications of water-based coordination pillared-layer
    (Elsevier, 2024) Mohd Sufiyan Abbasi; Atif Husain, Benjamin Siddiqui, Malik Nasibullah, Naseem Ahmad, Mohd Asif
    Coordination pillared layers (CPLs) are solely crystalline porous polymers (PCPs) with certain distinctive characteristics and promising uses. These distinct features open the path for more complex and long-term uses. Due to the recent developments made in their historical construction over the past few decades, they have gained wide attention from the scientific community due to their innate potential. Moreover, their preparation by the principles of green synthesis and sustainability has revolutionized the same field and broadened the domain of research by providing more inclusiveness to the scientific community. In the last few decades, research on CPLs, including the range of their structural features, synthesis, and uses, has grown significantly. These structures' unique features are enticingly opening up new avenues for prospective uses in areas including the adsorption process, catalysis, sensing, drug delivery, etc. These emerging applications drastically increase its utility and a need for more bulk manufacturing to satisfy the needs of the growing global market towards a sustainable and greener scale. Apart from the vast number of these structures being reported, their industrial application is still limited which can be seen due to some factors like stability as compared to non-pillared structures. Consequently, the need for designing new structures with special linkers and coordination atoms to improve their utility for various applications is the need of the hour. This will not only allow us to explore their structures but will comply with the new emerging potential applications.
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    Industrial aspects of water-based metal–organic frameworks
    (Elsevier, 2024) Malik Nasibullah; Atif Husain , Farrukh Aqil
    The intrinsic potential leading to different functional properties and applications is due to the scope of controlled morphology and modifiable modular structure of metal–organic frameworks (MOFs). The prerequisite for the employment of these MOFs in industrial applications is their synthetic procedures by considering method optimization and structural characterization including morphological characterization and stability. During the past few decades, a paradigm shift is seen in the construction of these MOFs encompassing research to material, energy, environmental research, and green chemical engineering from a standard laboratory scale. In the current scenario of globalization and the consequences erupting from it, the adoption of a greener preparation pathway for the synthesis of MOFs is the need of the hour. For the same, the employment of water both as a reaction media and additive as either of them is progressively moving toward greener and sustainable pathways considering the related safety and environmental impacts. These water-based MOFs could provide a better and more efficient pathway leading to the related industrial implementation and commercial applications like efficient fuel storage, pollutant removal, water harvesting, and other adsorption-based technologies which will significantly contribute to clean energy exploitation and environmental protection leading to a future based on green production. The versatility of water as compared with other organic solvents in terms of its non-toxic nature, easy stability and disposability, handling, environment friendliness, and easy scale-up techniques leads to a crucial need for upcoming investigations of water-based MOFs by optimizing its structures or properties to develop its potential applications in energy conversions, catalysis, drug delivery, chemical sensors, supercapacitors, etc. From a future perspective the development of green synthetic routes by minimal usage of organic solvents that pose safety and environmental risk wherever technically and economically practicable is a progressive task of utmost importance.