Chemistry Archives - 51²è¹Ý /tag/chemistry/ Tue, 16 Sep 2025 09:08:43 +0000 en-US hourly 1 /wp-content/uploads/2021/08/favicon.png Chemistry Archives - 51²è¹Ý /tag/chemistry/ 32 32 FACTS 2025: Frontiers and Advances in Chemistry /facts-2025-frontiers-and-advances-in-chemistry/ /facts-2025-frontiers-and-advances-in-chemistry/#respond Tue, 12 Aug 2025 07:53:00 +0000 /?p=82450

FACTS 2025: Frontiers and Advances in Chemistry

The Department of Chemistry at 51²è¹Ý successfully organised FACTS 2025 from August 1 to 3, 2025. Convened by Professor Vidya Avasare, the conference brought together leading scientists, researchers, and academicians from across India and abroad to commemorate two significant milestones: the centennial anniversary of quantum mechanics and the scientific legacy of Professor Sourav Pal.

FACTS 2025 witnessed participation from over forty universities and research institutions, including three distinguished faculty members from abroad. Over three intellectually stimulating days, the conference featured eleven plenary lectures and fifty invited talks, all delivered by stalwarts in the chemical sciences from premier institutions such as IISc Bengaluru, IITs, IISERs, TIFR, and international universities. These sessions, chaired and moderated by around thirty-five senior scientists, enabled vibrant exchanges of ideas, critical discussions, and collaborative exploration of emerging trends in chemistry.

A particular highlight of the meeting was the impressive lineup of eminent speakers who delivered plenary and invited lectures. Among them were Professor N. Sathyamurthy, Professor E.D. Jemmis, Professor Biman Bagchi, Professor Krishnan Raghavachari, Professor S. Chandrasekaran (IISc Bengaluru), Professor Arvind Natu (IISER Pune), Professor Sandeep Verma (IIT Kanpur), Professor Vinod Singh (IIT Kanpur), Dr. Thomas Colacot, and Dr. Diksha Gupta. Their lectures spanned frontiers of theoretical chemistry, catalysis, drug discovery, materials science, and sustainable chemistry, setting the tone for the next phase of innovation in chemical sciences.

The breadth of themes addressed in FACTS 2025 covered chemical biology, drug discovery, theoretical and computational chemistry, quantum computing, statistical mechanics, catalysis, organometallic and organic synthesis, green and sustainable chemistry, bioorganic chemistry, biophysics, and materials chemistry. This diversity fostered interdisciplinary interactions between experimental and theoretical chemists, as well as between academia and industry professionals.

One of the most anticipated sessions on the second day was the inaugural address by Professor Somak Raychaudhury, Vice Chancellor of 51²è¹Ý. This was followed by a panel discussion on the growth of chemistry-based startups in India, chaired by Professor Swaminathan Sivaram (IISER Pune). The panel featured eminent scientists including Professor Sourav Pal (51²è¹Ý), Professor Shekhar Mande (Savitribai Phule Pune University), Professor Arvind Natu (IISER Pune), Professor S. Chandrasekaran (IISc Bengaluru), Professor Sandeep Verma and Professor Vinod Singh (IIT Kanpur), along with contributions from Professor N. Sathyamurthy, Professor E.D. Jemmis, Professor Biman Bagchi, Professor Krishnan Raghavachari, Dr. Thomas Colacot, and Dr. Diksha Gupta. Professor Sunil Khare also addressed the gathering, further enriching the discussion.

The panel explored pressing issues at the interface of fundamental research and entrepreneurship, focusing on how pioneering academic discoveries can be transformed into scalable, deep-tech innovations. Discussions highlighted the importance of nurturing curiosity-driven research, innovation, and sustainability in young scientists while addressing challenges of risk-taking, scaling, and navigating regulatory frameworks. A consensus emerged on embedding entrepreneurial thinking within the chemical sciences, aligning with India’s vision of building an Atmanirbhar Bharat (self-reliant India).

The poster sessions were another highlight, featuring thirty-two Ph.D. students from across India. Their presentations reflected scientific rigour and creativity, sparking meaningful exchanges with senior researchers. Nine participants were recognised with ACS and RSC Poster Awards for their outstanding contributions in scientific content and clarity of presentation.

FACTS 2025 truly embodied Professor Vidya Avasare’s vision of creating a platform for academic dialogue, interdisciplinary collaboration, and long-term partnerships in the chemical sciences. It underscored the transformative power of chemistry in addressing global challenges and building a sustainable future.

In her concluding remarks, Professor Avasare expressed heartfelt gratitude to the faculty, staff, support staff, and volunteers of the Department of Chemistry at 51²è¹Ý, whose tireless efforts ensured the smooth execution and success of this large-scale event. She also acknowledged the generous support of the sponsors, Axis Bank, ANRF, IISER Kolkata, RSC, ACS, and Bruker, whose contributions were instrumental in making FACTS 2025 a truly impactful and memorable scientific gathering.

51²è¹Ý

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FACTS 2025: Frontiers and Advances in Chemistry

The Department of Chemistry at 51²è¹Ý successfully organised FACTS 2025 from August 1 to 3, 2025. Convened by Professor Vidya Avasare, the conference brought together leading scientists, researchers, and academicians from across India and abroad to commemorate two significant milestones: the centennial anniversary of quantum mechanics and the scientific legacy of Professor Sourav Pal.

FACTS 2025 witnessed participation from over forty universities and research institutions, including three distinguished faculty members from abroad. Over three intellectually stimulating days, the conference featured eleven plenary lectures and fifty invited talks, all delivered by stalwarts in the chemical sciences from premier institutions such as IISc Bengaluru, IITs, IISERs, TIFR, and international universities. These sessions, chaired and moderated by around thirty-five senior scientists, enabled vibrant exchanges of ideas, critical discussions, and collaborative exploration of emerging trends in chemistry.

A particular highlight of the meeting was the impressive lineup of eminent speakers who delivered plenary and invited lectures. Among them were Professor N. Sathyamurthy, Professor E.D. Jemmis, Professor Biman Bagchi, Professor Krishnan Raghavachari, Professor S. Chandrasekaran (IISc Bengaluru), Professor Arvind Natu (IISER Pune), Professor Sandeep Verma (IIT Kanpur), Professor Vinod Singh (IIT Kanpur), Dr. Thomas Colacot, and Dr. Diksha Gupta. Their lectures spanned frontiers of theoretical chemistry, catalysis, drug discovery, materials science, and sustainable chemistry, setting the tone for the next phase of innovation in chemical sciences.

The breadth of themes addressed in FACTS 2025 covered chemical biology, drug discovery, theoretical and computational chemistry, quantum computing, statistical mechanics, catalysis, organometallic and organic synthesis, green and sustainable chemistry, bioorganic chemistry, biophysics, and materials chemistry. This diversity fostered interdisciplinary interactions between experimental and theoretical chemists, as well as between academia and industry professionals.

One of the most anticipated sessions on the second day was the inaugural address by Professor Somak Raychaudhury, Vice Chancellor of 51²è¹Ý. This was followed by a panel discussion on the growth of chemistry-based startups in India, chaired by Professor Swaminathan Sivaram (IISER Pune). The panel featured eminent scientists including Professor Sourav Pal (51²è¹Ý), Professor Shekhar Mande (Savitribai Phule Pune University), Professor Arvind Natu (IISER Pune), Professor S. Chandrasekaran (IISc Bengaluru), Professor Sandeep Verma and Professor Vinod Singh (IIT Kanpur), along with contributions from Professor N. Sathyamurthy, Professor E.D. Jemmis, Professor Biman Bagchi, Professor Krishnan Raghavachari, Dr. Thomas Colacot, and Dr. Diksha Gupta. Professor Sunil Khare also addressed the gathering, further enriching the discussion.

The panel explored pressing issues at the interface of fundamental research and entrepreneurship, focusing on how pioneering academic discoveries can be transformed into scalable, deep-tech innovations. Discussions highlighted the importance of nurturing curiosity-driven research, innovation, and sustainability in young scientists while addressing challenges of risk-taking, scaling, and navigating regulatory frameworks. A consensus emerged on embedding entrepreneurial thinking within the chemical sciences, aligning with India’s vision of building an Atmanirbhar Bharat (self-reliant India).

The poster sessions were another highlight, featuring thirty-two Ph.D. students from across India. Their presentations reflected scientific rigour and creativity, sparking meaningful exchanges with senior researchers. Nine participants were recognised with ACS and RSC Poster Awards for their outstanding contributions in scientific content and clarity of presentation.

FACTS 2025 truly embodied Professor Vidya Avasare’s vision of creating a platform for academic dialogue, interdisciplinary collaboration, and long-term partnerships in the chemical sciences. It underscored the transformative power of chemistry in addressing global challenges and building a sustainable future.

In her concluding remarks, Professor Avasare expressed heartfelt gratitude to the faculty, staff, support staff, and volunteers of the Department of Chemistry at 51²è¹Ý, whose tireless efforts ensured the smooth execution and success of this large-scale event. She also acknowledged the generous support of the sponsors, Axis Bank, ANRF, IISER Kolkata, RSC, ACS, and Bruker, whose contributions were instrumental in making FACTS 2025 a truly impactful and memorable scientific gathering.

51²è¹Ý

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Towards Sustainable Energy Solutions: Mimicking Nature to Drive Vital Chemical Reactions /towards-sustainable-energy-solutions-mimicking-nature-to-drive-vital-chemical-reactions/ /towards-sustainable-energy-solutions-mimicking-nature-to-drive-vital-chemical-reactions/#respond Wed, 12 Feb 2025 11:34:00 +0000 /?p=73388

Towards Sustainable Energy Solutions: Mimicking Nature to Drive Vital Chemical Reactions

As the world grapples with the urgent need for sustainable energy, we are dedicated to pursuing fundamental research in the quest for artificial energy sources while prioritising environmental conservation. Central to our mission is the dual aim of Hydrogen gas (H2) production and mitigating the detrimental effects of excessive greenhouse gases, particularly CO2 emissions.

Nature showcases remarkable capabilities in converting hydrogen ions from water into hydrogen gas through an enzyme known as ‘Hydrogenase’. These enzymes consist of metals such as iron or nickel, coupled with amino acids, and are commonly referred to as ‘Metalloenzymes’. An extensive research effort is underway to comprehensively understand the mechanisms underlying natural proton reduction.

However, the precise mechanisms through which nature facilitates this reaction remain elusive. Research led by Munmun Ghosh, Assistant Professor of Chemistry at 51²è¹Ý, is primarily focused on mimicking the functioning of metalloenzymes for hydrogen (H2) production while also trying to unravel the underlying reaction mechanisms, which are crucial for the development of more efficient catalysts.

To elaborate, they are working on synthesising a range of metal complexes that can catalyse:

  • Electrochemical reduction of CO2 into value-added products like methane (CH4), methanol (CH3OH), ethanol (C2H5OH), and more.
  • Production of H2 using water or other proton sources like acids. H2 holds immense potential to replace fossil fuels and meet the escalating global energy demand.

Moreover, Dr Ghosh is actively involved in developing molecular catalysts capable of facilitating these conversions in a heterogeneous medium. This approach offers enhanced activity and is more environment-friendly, as the catalyst can be recovered, unlike in homogeneous catalysis.

Additionally, Dr Ghosh and her team are also involved in developing a facile and sustainable electrochemical synthetic strategy for producing important organic compounds. This approach holds significant promise for the pharmaceutical industry, offering a greener, more economical, and more efficient synthesis of drugs.

Ferrocene-based electrocatalyst anchored on carbon paper catalysing a cyclisation reaction.

For instance, they have successfully developed a ferrocene-based electrocatalyst, anchored on Toray carbon paper (TCP) and coated with conducting polymeric films. This catalyst facilitates the electrochemical dehydrogenative cyclization reaction of o-phenylenediamine and benzaldehyde, resulting in the synthesis of phenyl benzimidazole in quantitative yield. Notably, benzimidazole and its derivatives showcase diverse pharmacological activities, including antimicrobial, antiviral, anticancer, anti-inflammatory, and more.


Edited by Yukti Arora and Kangna Verma, (Academic Communications, Research and Development Office, 51²è¹Ý)

Reference Article:

, Inorganic Chemistry

Authors: Pankaj Kumar, Bharath M, Anjumun Rasool, Serhiy Demeshko, Suresh Bommakanti, Narottom Mukhopadhyay, Rajeev Gupta, Manzoor Ahmad Dar, and

51²è¹Ý

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Towards Sustainable Energy Solutions: Mimicking Nature to Drive Vital Chemical Reactions

As the world grapples with the urgent need for sustainable energy, we are dedicated to pursuing fundamental research in the quest for artificial energy sources while prioritising environmental conservation. Central to our mission is the dual aim of Hydrogen gas (H2) production and mitigating the detrimental effects of excessive greenhouse gases, particularly CO2 emissions.

Nature showcases remarkable capabilities in converting hydrogen ions from water into hydrogen gas through an enzyme known as ‘Hydrogenase’. These enzymes consist of metals such as iron or nickel, coupled with amino acids, and are commonly referred to as ‘Metalloenzymes’. An extensive research effort is underway to comprehensively understand the mechanisms underlying natural proton reduction.

However, the precise mechanisms through which nature facilitates this reaction remain elusive. Research led by Munmun Ghosh, Assistant Professor of Chemistry at 51²è¹Ý, is primarily focused on mimicking the functioning of metalloenzymes for hydrogen (H2) production while also trying to unravel the underlying reaction mechanisms, which are crucial for the development of more efficient catalysts.

To elaborate, they are working on synthesising a range of metal complexes that can catalyse:

  • Electrochemical reduction of CO2 into value-added products like methane (CH4), methanol (CH3OH), ethanol (C2H5OH), and more.
  • Production of H2 using water or other proton sources like acids. H2 holds immense potential to replace fossil fuels and meet the escalating global energy demand.

Moreover, Dr Ghosh is actively involved in developing molecular catalysts capable of facilitating these conversions in a heterogeneous medium. This approach offers enhanced activity and is more environment-friendly, as the catalyst can be recovered, unlike in homogeneous catalysis.

Additionally, Dr Ghosh and her team are also involved in developing a facile and sustainable electrochemical synthetic strategy for producing important organic compounds. This approach holds significant promise for the pharmaceutical industry, offering a greener, more economical, and more efficient synthesis of drugs.

Ferrocene-based electrocatalyst anchored on carbon paper catalysing a cyclisation reaction.

For instance, they have successfully developed a ferrocene-based electrocatalyst, anchored on Toray carbon paper (TCP) and coated with conducting polymeric films. This catalyst facilitates the electrochemical dehydrogenative cyclization reaction of o-phenylenediamine and benzaldehyde, resulting in the synthesis of phenyl benzimidazole in quantitative yield. Notably, benzimidazole and its derivatives showcase diverse pharmacological activities, including antimicrobial, antiviral, anticancer, anti-inflammatory, and more.


Edited by Yukti Arora and Kangna Verma, (Academic Communications, Research and Development Office, 51²è¹Ý)

Reference Article:

, Inorganic Chemistry

Authors: Pankaj Kumar, Bharath M, Anjumun Rasool, Serhiy Demeshko, Suresh Bommakanti, Narottom Mukhopadhyay, Rajeev Gupta, Manzoor Ahmad Dar, and

51²è¹Ý

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Chemical Insights Unleashed: Mastering Analytical Techniques for Real-World Impact /chemical-insights-unleashed-mastering-analytical-techniques-for-real-world-impact/ /chemical-insights-unleashed-mastering-analytical-techniques-for-real-world-impact/#respond Tue, 16 Jan 2024 10:55:42 +0000 /?p=54158

Chemical Insights Unleashed: Mastering Analytical Techniques for Real-World Impact

Guuleed Cali (ASP 23), undertook a comprehensive research initiative under the expert guidance of Prof. Munmun Ghosh and Prof. Deepak Asthana at the Department of Chemistry. The focal point of this research was the exploration of both fundamental principles and practical applications associated with a myriad of analytical methods. These methods included X-ray powder diffraction (XRD), gas chromatography-mass spectrometry (GCMS), infrared spectroscopy (IR), and ultraviolet-visible spectroscopy (UV-Vis).

The journey embarked with an insightful examination of the electromagnetic spectrum, shedding light on its significance in the realm of analytical methods. Subsequently, the study delved into meticulous explanations of the principles underpinning each technique, elucidating their unique capabilities in detecting and analysing chemical substances. Through the detailed analysis of experimental data, the research significantly contributed to an enhanced comprehension of these analytical approaches and their adeptness in discerning chemical substances, even within intricate mixtures.

The project served as a crucible for fostering essential research skills, honing critical thinking prowess, and nurturing problem-solving abilities. This experiential learning was manifested through the application of these advanced techniques in real-world scenarios, thereby recognizing their substantial contributions to fields such as pharmaceuticals and materials science. The endeavour not only widened Guuleed’s intellectual horizons but also added valuable insights to the collective knowledge pool of the scientific community.

Furthermore, the research underscored the pivotal role of analytical methods in the detection and characterization of chemical components within complex mixtures. The implications of such precision extended to crucial domains like forensic science and environmental monitoring, where the accurate identification of chemical substances holds paramount importance.

In conclusion, Guuleed Cali’s project has multifaceted contributions, spanning from a nuanced understanding of analytical techniques to practical applications in real-world scenarios, rendering it an invaluable asset in advancing the frontiers of scientific knowledge.


Edited by Dr Yukti Arora

51²è¹Ý

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Chemical Insights Unleashed: Mastering Analytical Techniques for Real-World Impact

Guuleed Cali (ASP 23), undertook a comprehensive research initiative under the expert guidance of Prof. Munmun Ghosh and Prof. Deepak Asthana at the Department of Chemistry. The focal point of this research was the exploration of both fundamental principles and practical applications associated with a myriad of analytical methods. These methods included X-ray powder diffraction (XRD), gas chromatography-mass spectrometry (GCMS), infrared spectroscopy (IR), and ultraviolet-visible spectroscopy (UV-Vis).

The journey embarked with an insightful examination of the electromagnetic spectrum, shedding light on its significance in the realm of analytical methods. Subsequently, the study delved into meticulous explanations of the principles underpinning each technique, elucidating their unique capabilities in detecting and analysing chemical substances. Through the detailed analysis of experimental data, the research significantly contributed to an enhanced comprehension of these analytical approaches and their adeptness in discerning chemical substances, even within intricate mixtures.

The project served as a crucible for fostering essential research skills, honing critical thinking prowess, and nurturing problem-solving abilities. This experiential learning was manifested through the application of these advanced techniques in real-world scenarios, thereby recognizing their substantial contributions to fields such as pharmaceuticals and materials science. The endeavour not only widened Guuleed’s intellectual horizons but also added valuable insights to the collective knowledge pool of the scientific community.

Furthermore, the research underscored the pivotal role of analytical methods in the detection and characterization of chemical components within complex mixtures. The implications of such precision extended to crucial domains like forensic science and environmental monitoring, where the accurate identification of chemical substances holds paramount importance.

In conclusion, Guuleed Cali’s project has multifaceted contributions, spanning from a nuanced understanding of analytical techniques to practical applications in real-world scenarios, rendering it an invaluable asset in advancing the frontiers of scientific knowledge.


Edited by Dr Yukti Arora

51²è¹Ý

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Bio-Inspired Smart Materials and Nanotechnology /bio-inspired-smart-materials-and-nanotechnology/ /bio-inspired-smart-materials-and-nanotechnology/#respond Tue, 20 Jun 2023 10:23:05 +0000 /?p=45001

Bio-Inspired Smart Materials and Nanotechnology

Self-assembly in living systems allows individual macromolecules to assemble into a wide set of supramolecular architectures. In this way, nature capitalizes on self-assembly to convert chemically simple building blocks into sophisticated materials that function cooperatively in living systems. Motivated by nature, bio-inspired nanotechnology aspires to harness natural compounds and nanostructures for various technological applications. While the initial approaches relied on mimicking natural protein sequences, later the focus shifted towards a complementary approach to use synthetic chemistry to explore the chemical space beyond that available to natural molecular building blocks.

Biomimetics provides the fascinating route to design peptide-based motifs and exemplifies how design and chemistry can be successfully employed to generate multifunctional molecules that assemble and function. In this circumstance, my main objective of research at 51²è¹Ý is to combine principles from disciplines including biology, chemistry and engineering, in the preparation of synthetic materials with functions similar to or surpassing those of natural products. The general aims of my research are (i) to design artificial self-assembling minimal systems that mimic protein secondary structures, (ii) to understand how to program biomolecules with the necessary information for self-ordering into complex and functional architectures, (iii) to study novel (bio)functionalities in the designed molecule-based platforms.

One of the major interests of the group is developing protein-mimetic structures resembling amyloid, and collagen with efficient piezoelectric properties which is defined as the conversion of mechanical energy into electrical energy and vice versa. After the discovery of the phenomenon that electrical stimulation can modulate several tissue functions, it gains significant research interest from different communities to develop bio-piezoelectric smart materials. The inherent biocompatibility, bio-integrity and biodegradability of peptide-based piezoelectric materials offer various advantages over currently market-available lead-based non-biocompatible piezoelectric materials like PZT. Development of such materials would provide enticing opportunities for research and progress of structural peptide-based bio-piezoelectric, self-powered, implantable and bio-resorbable platforms for solutions to major healthcare issues like tissue regeneration.

(Dr. Santu Bera is a Faculty Fellow in the Department of Chemistry, 51²è¹Ý)

51²è¹Ý

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Bio-Inspired Smart Materials and Nanotechnology

Self-assembly in living systems allows individual macromolecules to assemble into a wide set of supramolecular architectures. In this way, nature capitalizes on self-assembly to convert chemically simple building blocks into sophisticated materials that function cooperatively in living systems. Motivated by nature, bio-inspired nanotechnology aspires to harness natural compounds and nanostructures for various technological applications. While the initial approaches relied on mimicking natural protein sequences, later the focus shifted towards a complementary approach to use synthetic chemistry to explore the chemical space beyond that available to natural molecular building blocks.

Biomimetics provides the fascinating route to design peptide-based motifs and exemplifies how design and chemistry can be successfully employed to generate multifunctional molecules that assemble and function. In this circumstance, my main objective of research at 51²è¹Ý is to combine principles from disciplines including biology, chemistry and engineering, in the preparation of synthetic materials with functions similar to or surpassing those of natural products. The general aims of my research are (i) to design artificial self-assembling minimal systems that mimic protein secondary structures, (ii) to understand how to program biomolecules with the necessary information for self-ordering into complex and functional architectures, (iii) to study novel (bio)functionalities in the designed molecule-based platforms.

One of the major interests of the group is developing protein-mimetic structures resembling amyloid, and collagen with efficient piezoelectric properties which is defined as the conversion of mechanical energy into electrical energy and vice versa. After the discovery of the phenomenon that electrical stimulation can modulate several tissue functions, it gains significant research interest from different communities to develop bio-piezoelectric smart materials. The inherent biocompatibility, bio-integrity and biodegradability of peptide-based piezoelectric materials offer various advantages over currently market-available lead-based non-biocompatible piezoelectric materials like PZT. Development of such materials would provide enticing opportunities for research and progress of structural peptide-based bio-piezoelectric, self-powered, implantable and bio-resorbable platforms for solutions to major healthcare issues like tissue regeneration.

(Dr. Santu Bera is a Faculty Fellow in the Department of Chemistry, 51²è¹Ý)

51²è¹Ý

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Developing single molecule technologies to understand complex biological phenomena /developing-single-molecule-technologies-to-understand-complex-biological-phenomena/ /developing-single-molecule-technologies-to-understand-complex-biological-phenomena/#respond Wed, 14 Jun 2023 07:11:09 +0000 /?p=44752

Developing single molecule technologies to understand complex biological phenomena

The focus of Dr Haldar’s lab is to develop single-molecule technologies to understand different complex biological phenomena. He joined 51²è¹Ý in 2018 and established the first covalent magnetic tweezers in India. The supreme stability of the technology enables quantifying five molecular properties (unfolding kinetics, refolding kinetics, conformational change, chain flexibility, and ∆G for folding/unfolding) simultaneously, in a single experiment. Not only is the quantification of these properties, but it also measures the dynamic perturbations while introducing chemicals or biomolecules during the experiment. Notably, using this technology their group monitors all the perturbations in the same (single) molecule in real-time in a single experiment. Continuous tracking of five molecular properties - on the same and single globular protein - in various physical environments was not reported before.

(The writer is an Associate Professor of Biology and Chemistry at 51²è¹Ý)

51²è¹Ý

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Developing single molecule technologies to understand complex biological phenomena

The focus of Dr Haldar’s lab is to develop single-molecule technologies to understand different complex biological phenomena. He joined 51²è¹Ý in 2018 and established the first covalent magnetic tweezers in India. The supreme stability of the technology enables quantifying five molecular properties (unfolding kinetics, refolding kinetics, conformational change, chain flexibility, and ∆G for folding/unfolding) simultaneously, in a single experiment. Not only is the quantification of these properties, but it also measures the dynamic perturbations while introducing chemicals or biomolecules during the experiment. Notably, using this technology their group monitors all the perturbations in the same (single) molecule in real-time in a single experiment. Continuous tracking of five molecular properties - on the same and single globular protein - in various physical environments was not reported before.

(The writer is an Associate Professor of Biology and Chemistry at 51²è¹Ý)

51²è¹Ý

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Fundamental Research for Sustainability /fundamental-research-for-sustainability/ /fundamental-research-for-sustainability/#respond Wed, 14 Jun 2023 06:37:26 +0000 /?p=44738

Fundamental Research for Sustainability

Over the last century, human activity increase the atmospheric carbon dioxide (CO2 ), nitrogen, and sulphur oxide causing an irreversible change to the environment. ‘Global warming’, and ‘climate change’ are direct outcomes of these changes. We all are contributing to it through our daily activities by driving cars, using water, electricity etc. Hardly, there can be a single solution for the problems of meeting our future demands and managing the environmental consequences. But there is a sense that ‘we must do something soon’. To find out the most effective solution we need to understand them from the core and that leads to fundamental research in science and technology for sustainability.

Nature is very smart, it produces H2 by the enzyme ‘Hydrogenase’ from hydrogen ion (proton) or FDH (Formatede hydrogenase) which captures atmospheric CO2 and converts it into HCOOH, a valuable feedstock in industry. These enzymes are comprised of iron or nickel coupled with amino acids and these are commonly named ‘Metalloenzymes’. Various studies revealed the mechanism of natural proton reduction. But we are still far to achieve the result of what nature does. There can be many ways scientists are focusing on this field, what we are doing in our lab is called ‘Biomimetic Molecular Catalyses’. Our research involved mimicking these enzymes and finding out the mechanism to search for better catalysts. We are synthesizing metal-based complexes, especially iron, as it is the second most abundant element on earth and developing new materials for the same.

Here we need to remember, that activating CO2 is not an easy job as it requires a huge amount of energy to break the carbon-oxygen bond which means, thermodynamically this molecule is very strong. This type of reaction requires very harsh condition like high temperature and end with a lot of environmentally benign waste products. To overcome this challenge, scientists preferred to do the activation electrochemically, giving current as an energy form. This reaction we claim ‘clean’ and ‘Green’ producing the least amount of side products and giving the highest atom economy. This process is safe and is applicable to industrial scale. In our lab, we are dealing with all the reactions electrochemically, digging into the mechanism and finding out better catalysts than before.

As scientists, we can’t deny our role in society. We can harness our knowledge for a better environment. The challenge of balancing energy and climate change is not going to fade away in one day. But if we don’t start acting from now to understand the system, even in 2050 we will be in the same place and we will be answerable to the next generation. Fundamental research plays a key role here, if we can’t realize how atoms are behaving with each other inside a molecule, how we are going to tame them and use them accordingly? That’s why it is very true that ‘Basic scientific research is scientific capital’.

(The writer is an Assistant Professor of Chemistry, 51²è¹Ý)

51²è¹Ý

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Fundamental Research for Sustainability

Over the last century, human activity increase the atmospheric carbon dioxide (CO2 ), nitrogen, and sulphur oxide causing an irreversible change to the environment. ‘Global warming’, and ‘climate change’ are direct outcomes of these changes. We all are contributing to it through our daily activities by driving cars, using water, electricity etc. Hardly, there can be a single solution for the problems of meeting our future demands and managing the environmental consequences. But there is a sense that ‘we must do something soon’. To find out the most effective solution we need to understand them from the core and that leads to fundamental research in science and technology for sustainability.

Nature is very smart, it produces H2 by the enzyme ‘Hydrogenase’ from hydrogen ion (proton) or FDH (Formatede hydrogenase) which captures atmospheric CO2 and converts it into HCOOH, a valuable feedstock in industry. These enzymes are comprised of iron or nickel coupled with amino acids and these are commonly named ‘Metalloenzymes’. Various studies revealed the mechanism of natural proton reduction. But we are still far to achieve the result of what nature does. There can be many ways scientists are focusing on this field, what we are doing in our lab is called ‘Biomimetic Molecular Catalyses’. Our research involved mimicking these enzymes and finding out the mechanism to search for better catalysts. We are synthesizing metal-based complexes, especially iron, as it is the second most abundant element on earth and developing new materials for the same.

Here we need to remember, that activating CO2 is not an easy job as it requires a huge amount of energy to break the carbon-oxygen bond which means, thermodynamically this molecule is very strong. This type of reaction requires very harsh condition like high temperature and end with a lot of environmentally benign waste products. To overcome this challenge, scientists preferred to do the activation electrochemically, giving current as an energy form. This reaction we claim ‘clean’ and ‘Green’ producing the least amount of side products and giving the highest atom economy. This process is safe and is applicable to industrial scale. In our lab, we are dealing with all the reactions electrochemically, digging into the mechanism and finding out better catalysts than before.

As scientists, we can’t deny our role in society. We can harness our knowledge for a better environment. The challenge of balancing energy and climate change is not going to fade away in one day. But if we don’t start acting from now to understand the system, even in 2050 we will be in the same place and we will be answerable to the next generation. Fundamental research plays a key role here, if we can’t realize how atoms are behaving with each other inside a molecule, how we are going to tame them and use them accordingly? That’s why it is very true that ‘Basic scientific research is scientific capital’.

(The writer is an Assistant Professor of Chemistry, 51²è¹Ý)

51²è¹Ý

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Solving chemical and biological problems using theoretical chemistry /solving-chemical-and-biological-problems-using-theoretical-chemistry/ /solving-chemical-and-biological-problems-using-theoretical-chemistry/#respond Wed, 14 Jun 2023 06:05:22 +0000 /?p=44731

Solving chemical and biological problems using theoretical chemistry

1. Multimode quantum dynamics simulation for non-radiative decay processes

The enormous recent advances in developing new light sources such as the X-ray Free-Electron Lasers (XFELs) or high harmonic generation (HHG) sources made it possible to image ultrafast molecular reactions, recover structures of proteins at high resolution, or investigate ultrafast electron dynamics in biomolecules.

However, a consistent picture of the interaction between chemical systems and ionizing radiation is impossible without a better understanding of ultrafast electronic decay processes. Such processes taking place in chemical environments such as clusters or solutions remain insufficiently understood due to a number of reasons. On the experimental side, the complicated branching nature of such decay results in observable spectra which cannot be disentangled and assigned to individual decay processes without extensive theoretical modelling. On the theory side, standard computational chemistry methods struggle to represent efficiently the electronic continuum necessary to compute both the energies and widths of the decaying states. Moreover, electronic decay is often accompanied by nuclear dynamics which involve multiple decaying states and are strongly influenced by non-adiabatic effects. Therefore, the accurate simulation of ultrafast electronic decay processes such as Interatomic coulombic decay (ICD), electron transfer mediated decay (ETMD), Auger is highly challenging.

My research work is based on accurate multimode quantum dynamics simulation to simulate the electron spectra as well as kinetic energy release of nuclei spectra of these decay processes which will provide valuable information regarding the ultrafast decay processes and help experimentalists to explain the coincident spectra of decay processes.

2. Drug development against Pancreatic Ductal Adenocarcinoma (PDAC) using bio-informatics as well as molecular dynamics approach

Pancreatic Ductal Adenocarcinoma (PDAC) is a highly malignant disease with very poor clinical outcomes which is primarily due to delayed disease detection and lack of specific targeted therapies. About ~90% of “pancreatic cancers” are caused by the subtype PDAC. By understanding the etiology of the PDAC can detect the genetic profiling that controls the PDAC network.

The advancement in techniques viz. RNA-seq, Microarray, and availability of large data in specific repositories of various diseases lead to a new concept of “Network Medicine”. Therefore, identifying key regulators by systematic Network approach and considering them as drug targets for computer-aided drug design would significantly reduce the time and cost associated with drug development. With this motivation, we are interested to identify novel key regulators in the Pancreatic Ductal Adenocarcinoma disease DEGs network and analyze their interactions with other genes/transcription factors/miRNAs etc. by incorporating network theory using data from dedicated curated databases such as the GEO database. We will be studying the topological properties of the PDAC disease network (gene-gene interaction network).

This study will provide basic topological properties of how signal propagation is done locally as well as globally throughout the network. We are interested to utilize molecular docking, and molecular dynamics simulations to design potential inhibitors for PDAC disease.

(The writer is an Assistant Professor of Chemistry at 51²è¹Ý)

51²è¹Ý

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Solving chemical and biological problems using theoretical chemistry

1. Multimode quantum dynamics simulation for non-radiative decay processes

The enormous recent advances in developing new light sources such as the X-ray Free-Electron Lasers (XFELs) or high harmonic generation (HHG) sources made it possible to image ultrafast molecular reactions, recover structures of proteins at high resolution, or investigate ultrafast electron dynamics in biomolecules.

However, a consistent picture of the interaction between chemical systems and ionizing radiation is impossible without a better understanding of ultrafast electronic decay processes. Such processes taking place in chemical environments such as clusters or solutions remain insufficiently understood due to a number of reasons. On the experimental side, the complicated branching nature of such decay results in observable spectra which cannot be disentangled and assigned to individual decay processes without extensive theoretical modelling. On the theory side, standard computational chemistry methods struggle to represent efficiently the electronic continuum necessary to compute both the energies and widths of the decaying states. Moreover, electronic decay is often accompanied by nuclear dynamics which involve multiple decaying states and are strongly influenced by non-adiabatic effects. Therefore, the accurate simulation of ultrafast electronic decay processes such as Interatomic coulombic decay (ICD), electron transfer mediated decay (ETMD), Auger is highly challenging.

My research work is based on accurate multimode quantum dynamics simulation to simulate the electron spectra as well as kinetic energy release of nuclei spectra of these decay processes which will provide valuable information regarding the ultrafast decay processes and help experimentalists to explain the coincident spectra of decay processes.

2. Drug development against Pancreatic Ductal Adenocarcinoma (PDAC) using bio-informatics as well as molecular dynamics approach

Pancreatic Ductal Adenocarcinoma (PDAC) is a highly malignant disease with very poor clinical outcomes which is primarily due to delayed disease detection and lack of specific targeted therapies. About ~90% of “pancreatic cancers” are caused by the subtype PDAC. By understanding the etiology of the PDAC can detect the genetic profiling that controls the PDAC network.

The advancement in techniques viz. RNA-seq, Microarray, and availability of large data in specific repositories of various diseases lead to a new concept of “Network Medicine”. Therefore, identifying key regulators by systematic Network approach and considering them as drug targets for computer-aided drug design would significantly reduce the time and cost associated with drug development. With this motivation, we are interested to identify novel key regulators in the Pancreatic Ductal Adenocarcinoma disease DEGs network and analyze their interactions with other genes/transcription factors/miRNAs etc. by incorporating network theory using data from dedicated curated databases such as the GEO database. We will be studying the topological properties of the PDAC disease network (gene-gene interaction network).

This study will provide basic topological properties of how signal propagation is done locally as well as globally throughout the network. We are interested to utilize molecular docking, and molecular dynamics simulations to design potential inhibitors for PDAC disease.

(The writer is an Assistant Professor of Chemistry at 51²è¹Ý)

51²è¹Ý

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Design and Synthesis of Novel Multi-functional Photoactive Materials /design-and-synthesis-of-novel-multi-functional-photoactive-materials/ /design-and-synthesis-of-novel-multi-functional-photoactive-materials/#respond Wed, 14 Jun 2023 05:24:07 +0000 /?p=44569

Design and Synthesis of Novel Multi-functional Photoactive Materials

"The current research interests of my group are in the fields of design and synthesis of new molecular materials for light harvesting and optoelectronic applications," says Deepak. In the recent past, there has been a steep rise in the research activity towards finding alternative energy sources. The main reasons behind this sudden surge in green energy research are the fossil fuel-related climate issues, rapidly vanishing fossil fuel reserves, and its adverse impact on human health. In this context, materials that may optimize the utilization of solar energy have been extensively explored. The Photon up-conversion process can play an important role here as it can convert the low-energy photons into higher-energy ones.

Solar devices combined with photon up-converting systems may exhibit significantly improved efficiencies. Recent discoveries have revealed that Photodynamic Therapy and bioimaging could also be made more effective by applying up-conversion materials. While conventional methods of photon upconversion, such as two-photon absorption (TPA) or second harmonic generation (SHG), generally require very powerful energy sources (~ GW/cm2), Triplet-triplet annihilation-based photon up-conversion (TTA-UC) can take place under much milder conditions (~ mW/cm2).

In our group here at 51²è¹Ý, we are trying to develop new materials that can exhibit TTA-UC. By applying a supramolecular chemistry approach and designing three-dimensional covalent organic frameworks, we are aiming to achieve TTA-UC in a solid state under ambient conditions. We are also interested in another emerging research field that focuses on the development of multi-chromophoric materials that may exhibit multi-modal circularly polarized luminescence (CPL). CPL is a symmetry-controlled property found in certain luminescent materials that finds a range of applications in modern displays and other optical devices.

(The writer is an Assistant Professor of Chemistry at 51²è¹Ý)

51²è¹Ý

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Design and Synthesis of Novel Multi-functional Photoactive Materials

"The current research interests of my group are in the fields of design and synthesis of new molecular materials for light harvesting and optoelectronic applications," says Deepak. In the recent past, there has been a steep rise in the research activity towards finding alternative energy sources. The main reasons behind this sudden surge in green energy research are the fossil fuel-related climate issues, rapidly vanishing fossil fuel reserves, and its adverse impact on human health. In this context, materials that may optimize the utilization of solar energy have been extensively explored. The Photon up-conversion process can play an important role here as it can convert the low-energy photons into higher-energy ones.

Solar devices combined with photon up-converting systems may exhibit significantly improved efficiencies. Recent discoveries have revealed that Photodynamic Therapy and bioimaging could also be made more effective by applying up-conversion materials. While conventional methods of photon upconversion, such as two-photon absorption (TPA) or second harmonic generation (SHG), generally require very powerful energy sources (~ GW/cm2), Triplet-triplet annihilation-based photon up-conversion (TTA-UC) can take place under much milder conditions (~ mW/cm2).

In our group here at 51²è¹Ý, we are trying to develop new materials that can exhibit TTA-UC. By applying a supramolecular chemistry approach and designing three-dimensional covalent organic frameworks, we are aiming to achieve TTA-UC in a solid state under ambient conditions. We are also interested in another emerging research field that focuses on the development of multi-chromophoric materials that may exhibit multi-modal circularly polarized luminescence (CPL). CPL is a symmetry-controlled property found in certain luminescent materials that finds a range of applications in modern displays and other optical devices.

(The writer is an Assistant Professor of Chemistry at 51²è¹Ý)

51²è¹Ý

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Development of Sustainable Technologies Using Computational and Synthetic Tools /development-of-sustainable-technologies-using-computational-and-synthetic-tools/ /development-of-sustainable-technologies-using-computational-and-synthetic-tools/#respond Thu, 08 Jun 2023 07:15:30 +0000 /?p=44519

Development of Sustainable Technologies Using Computational and Synthetic Tools

Continuous carbon emission in the atmosphere is contributing to global warming and climate change; which is adversely affecting life on the earth. If carbon emission continues to increase then there would be no life on the earth! Therefore, it is crucial to address carbon emissions by accelerating fundamental as well as advanced research. Among all, chemistry would be the most powerful field which would help to provide immediate and promising solutions by designing and developing sustainable technologies for a sustainable future as follows:

  • Carbon Dioxide Capture: Capturing of atmospheric CO2 at the source (oil refineries, mines, industries, etc.).
  • Carbon Dioxide Utilization: Convert captured CO2 to fuels and value-added bulk chemicals.
  • Green Hydrogen Production: Hydrogen is a green fuel and it is also needed for CO2 utilization.
  • Green Chemistry Approach: It is important to replace existing environmentally hazardous and expensive technologies with inexpensive and environmentally benign ones to reduce CO2 emissions and other pollutants.

Figure 1: Catalyst Discovery

Experimental catalyst discovery is a dynamic process and requires the number of multiple parameters, resources, and time to develop robust catalysts for various applications (Figure 1). Recently, computational catalysis has been considered one of the promising methods in developing energy-efficient and inexpensive technologies and for the screening and designing of catalysts for a wide range of applications. Further, it is also advantageous to develop machine learning models to test and demonstrate the catalytic performance of millions of catalysts in shorter times. We have been using density functional theoretic (DFT) study to identify efficient and inexpensive carbon dioxide to C1 as well as multiple carbon products.

We are particularly interested in methanol production as it has many-fold benefits. Methanol can be used as fuel and chemical hydrogen storage material, and it is also used as either a solvent or precursor for most commercial products. However, to utilize carbon dioxide, hydrogen is required, and hence sustainable and inexpensive production of hydrogen is also necessary and hydrogen can be produced from alcohol or water. Thus, carbon sequestration and hydrogen productions are important steps of the circular carbon economy. ().

Figure 2: A pictorial representation of ongoing research

Recently, we received a research grant from SERB under the CRG scheme (File no. CRG/2022/003758) for computational designing and development of first-row 3d transition metal catalysts to produce H2 from methanol. Apart from CO2 utilization and H2 production, we are also working on developing carbon capture materials and porous organic polymers for water remediation using DFT methods under the Stars project scheme () in collaboration with Professor Sujit Ghosh, IISER Pune (Figure 2). The computationally predicted lead catalysts are used to demonstrate their catalytic performance using experimental methods and investigating inexpensive and environmentally benign homogeneous and heterogeneous catalysts to demonstrate C—X (X = C, N, O) coupling reactions and C—H activation reactions under ambient conditions (Figure 2). Many of these synthetic protocols are useful in developing small organic molecules for various applications in medicines, materials, diagnostics, etc. without compromising sustainability.

(The writer is a Visiting Professor in the Department of Chemistry at 51²è¹Ý)

51²è¹Ý

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Development of Sustainable Technologies Using Computational and Synthetic Tools

Continuous carbon emission in the atmosphere is contributing to global warming and climate change; which is adversely affecting life on the earth. If carbon emission continues to increase then there would be no life on the earth! Therefore, it is crucial to address carbon emissions by accelerating fundamental as well as advanced research. Among all, chemistry would be the most powerful field which would help to provide immediate and promising solutions by designing and developing sustainable technologies for a sustainable future as follows:

  • Carbon Dioxide Capture: Capturing of atmospheric CO2 at the source (oil refineries, mines, industries, etc.).
  • Carbon Dioxide Utilization: Convert captured CO2 to fuels and value-added bulk chemicals.
  • Green Hydrogen Production: Hydrogen is a green fuel and it is also needed for CO2 utilization.
  • Green Chemistry Approach: It is important to replace existing environmentally hazardous and expensive technologies with inexpensive and environmentally benign ones to reduce CO2 emissions and other pollutants.
Figure 1: Catalyst Discovery

Experimental catalyst discovery is a dynamic process and requires the number of multiple parameters, resources, and time to develop robust catalysts for various applications (Figure 1). Recently, computational catalysis has been considered one of the promising methods in developing energy-efficient and inexpensive technologies and for the screening and designing of catalysts for a wide range of applications. Further, it is also advantageous to develop machine learning models to test and demonstrate the catalytic performance of millions of catalysts in shorter times. We have been using density functional theoretic (DFT) study to identify efficient and inexpensive carbon dioxide to C1 as well as multiple carbon products.

We are particularly interested in methanol production as it has many-fold benefits. Methanol can be used as fuel and chemical hydrogen storage material, and it is also used as either a solvent or precursor for most commercial products. However, to utilize carbon dioxide, hydrogen is required, and hence sustainable and inexpensive production of hydrogen is also necessary and hydrogen can be produced from alcohol or water. Thus, carbon sequestration and hydrogen productions are important steps of the circular carbon economy. ().

Figure 2: A pictorial representation of ongoing research

Recently, we received a research grant from SERB under the CRG scheme (File no. CRG/2022/003758) for computational designing and development of first-row 3d transition metal catalysts to produce H2 from methanol. Apart from CO2 utilization and H2 production, we are also working on developing carbon capture materials and porous organic polymers for water remediation using DFT methods under the Stars project scheme () in collaboration with Professor Sujit Ghosh, IISER Pune (Figure 2). The computationally predicted lead catalysts are used to demonstrate their catalytic performance using experimental methods and investigating inexpensive and environmentally benign homogeneous and heterogeneous catalysts to demonstrate C—X (X = C, N, O) coupling reactions and C—H activation reactions under ambient conditions (Figure 2). Many of these synthetic protocols are useful in developing small organic molecules for various applications in medicines, materials, diagnostics, etc. without compromising sustainability.

(The writer is a Visiting Professor in the Department of Chemistry at 51²è¹Ý)

51²è¹Ý

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Chemistry at Ashoka: Spotlight and Faculties /chemistry-at-ashoka-spotlight-and-faculties/ /chemistry-at-ashoka-spotlight-and-faculties/#respond Thu, 08 Jun 2023 05:23:50 +0000 /?p=44512

Chemistry at Ashoka: Spotlight and Faculties

The major focus of the Chemistry department at 51²è¹Ý is on sustainable chemistry with climate change and environment in mind, renewable energy, green processes, setting up state-of-the-art facilities and advancing frontiers in basic research. Computational, analytical and synthetic procedures will be the key tools in the construct.

As of now, we have five faculties and two more faculties are going to join us this summer. The chemistry department faculties have national and international experience and very well matched with the reputed faculty members of 51²è¹Ý. Younger faculties are doing excellent research with great potential. Among the senior faculties, Vidya Avasare has received the prestigious INSA Best Teacher Award of 2021. They have specialization in Bioinorganic Chemistry, Theoretical/computational Chemistry, and Material Chemistry and are actively involved in research in their respective field. Details of faculty profiles are on the website of the Chemistry Department. Their articles on their research are profiled in this issue.

The relevance of Chemistry

Chemistry is a subject of understanding at the molecular level, where a reaction must be described by breaking and forming of new bonds. Chemistry has a huge role in our day-to-day life. It is almost impossible to think of our modern life without chemistry or chemical knowledge. Even our emotions are controlled by hormones, which are nothing, but chemical molecules.

The human body is a huge mystery with lots of chemical reactions including the blood flow in our system controlled by Hemoglobin, an iron complex. Chemistry plays a very important role in maintaining sustainable earth as elaborated below.

Chemistry: An exciting new branch at Ashoka

At Ashoka, our objective is to teach chemistry in an integrative and holistic manner connecting with other branches of science, physics, biology, and mathematics. We believe Chemistry will play a significant role in biology, materials research, and understanding of catalysis, nano-scale materials, the harnessing of renewable energy, and healthcare as well as in providing clean water, separation, and a clean environment.

It is a quintessential science with an impact on societal problems and sustaining the earth, such as Climate Change, Healthcare, Renewable Energy, and Clean environment. It is a central science overlapping with all other sciences. Chemistry provides valuable information to biology, draws principles from physics and computational science and is unique in devising synthesis strategies and harnessing analytical methods.

Further, chemistry provides the best connection with industries among all science subjects and thus provides an opportunity that Ashokans, pursuing chemistry as a major, will get. Chemistry also provides opportunities for entrepreneurship in the form of start-ups in the area of healthcare, pharma, agriculture, renewable energy, like solar, hydrogen etc.

Courses on offer at Ashoka

For UG students, one of the new courses we will initiate is on Sustainability. As discussed, chemical sciences play a very important role in bringing sustainable earth in terms of renewable energy, a clean atmosphere, waste recycling, healthcare and climate. This course will play an integrated role of science with an impact from chemistry on various issues sustaining the earth.

We are presently offering ‘Topics in Chemistry’ which will cover basic knowledge of Chemistry with a focus on hot topics of relevance. Any student interested in science would benefit from taking this course. ‘Energetics of change’, essentially is a course about thermodynamics, which in some sense governs the universe. You can learn the basic principles and the factors required to complete a reaction. General thermodynamics will allow you to understand many other topics in an integrative manner. ‘Introductory Laboratory Course’ will provide a chance to play with chemicals in the laboratory.

We have also started Computational Drug Discovery which will allow students to learn how two topical subjects of computational Chemistry and Drug Discovery can be combined to provide potentially exciting outcomes. For any of the courses, interest in science is the most important criterion. We are also offering ‘Chemical Biology’ as an elective, ‘rate, order & mechanism’, and ‘Inorganic Chemistry’.

For Ph.D. course, we are offering research methodology which will teach the students best practices of research, effective communication, both oral and written, ethical research practices and dissemination. In addition, many courses on different aspects of chemical sciences will be offered which will prepare the students for frontier research.

Career Opportunities

We believe that the chemistry major at Ashoka will provide very successful career opportunities from academics to researchers in labs, mission-driven research, many alternate science careers, industries as well as entrepreneurship in the form of start-ups.


Prof Sourav Pal is a distinguished theoretical chemist and has contributed to methodological and conceptual developments on many-body electronic structure theory, to the area of density-based chemical reactivity as well as to catalytic and hydrogen storage materials using computational material science. In particular, he is well known for his contributions to the development of rigorous ab initio coupled-cluster theory for molecular electronic structure. He has published over 300 papers and guided about 45 Ph.D. theses. Prof. Sourav Pal is currently heading the Department of Chemistry. He has wide experience as an immediate former- director of IISER Kolkata before joining as well as ex-director of the famous National Chemical Laboratory (NCL) Pune. In between he worked at IIT Bombay as Professor. Prof Pal is a Bhatnagar awardee, a Fellow of all National Academies of Science, an Executive Board member of Commonwealth Chemistry, and a Board member of the Asia-Pacific Association of Theoretical and Computational Chemistry. He is presently Chairman of the Chemical Division Council of the Bureau of Indian Standards and was President of the Chemical Research Society of India, from 2014-2017. He is also a Fellow of the Royal Society of Chemistry, UK. These are a few recognitions, among several others.

51²è¹Ý

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Chemistry at Ashoka: Spotlight and Faculties

The major focus of the Chemistry department at 51²è¹Ý is on sustainable chemistry with climate change and environment in mind, renewable energy, green processes, setting up state-of-the-art facilities and advancing frontiers in basic research. Computational, analytical and synthetic procedures will be the key tools in the construct.

As of now, we have five faculties and two more faculties are going to join us this summer. The chemistry department faculties have national and international experience and very well matched with the reputed faculty members of 51²è¹Ý. Younger faculties are doing excellent research with great potential. Among the senior faculties, Vidya Avasare has received the prestigious INSA Best Teacher Award of 2021. They have specialization in Bioinorganic Chemistry, Theoretical/computational Chemistry, and Material Chemistry and are actively involved in research in their respective field. Details of faculty profiles are on the website of the Chemistry Department. Their articles on their research are profiled in this issue.

The relevance of Chemistry

Chemistry is a subject of understanding at the molecular level, where a reaction must be described by breaking and forming of new bonds. Chemistry has a huge role in our day-to-day life. It is almost impossible to think of our modern life without chemistry or chemical knowledge. Even our emotions are controlled by hormones, which are nothing, but chemical molecules.

The human body is a huge mystery with lots of chemical reactions including the blood flow in our system controlled by Hemoglobin, an iron complex. Chemistry plays a very important role in maintaining sustainable earth as elaborated below.

Chemistry: An exciting new branch at Ashoka

At Ashoka, our objective is to teach chemistry in an integrative and holistic manner connecting with other branches of science, physics, biology, and mathematics. We believe Chemistry will play a significant role in biology, materials research, and understanding of catalysis, nano-scale materials, the harnessing of renewable energy, and healthcare as well as in providing clean water, separation, and a clean environment.

It is a quintessential science with an impact on societal problems and sustaining the earth, such as Climate Change, Healthcare, Renewable Energy, and Clean environment. It is a central science overlapping with all other sciences. Chemistry provides valuable information to biology, draws principles from physics and computational science and is unique in devising synthesis strategies and harnessing analytical methods.

Further, chemistry provides the best connection with industries among all science subjects and thus provides an opportunity that Ashokans, pursuing chemistry as a major, will get. Chemistry also provides opportunities for entrepreneurship in the form of start-ups in the area of healthcare, pharma, agriculture, renewable energy, like solar, hydrogen etc.

Courses on offer at Ashoka

For UG students, one of the new courses we will initiate is on Sustainability. As discussed, chemical sciences play a very important role in bringing sustainable earth in terms of renewable energy, a clean atmosphere, waste recycling, healthcare and climate. This course will play an integrated role of science with an impact from chemistry on various issues sustaining the earth.

We are presently offering ‘Topics in Chemistry’ which will cover basic knowledge of Chemistry with a focus on hot topics of relevance. Any student interested in science would benefit from taking this course. ‘Energetics of change’, essentially is a course about thermodynamics, which in some sense governs the universe. You can learn the basic principles and the factors required to complete a reaction. General thermodynamics will allow you to understand many other topics in an integrative manner. ‘Introductory Laboratory Course’ will provide a chance to play with chemicals in the laboratory.

We have also started Computational Drug Discovery which will allow students to learn how two topical subjects of computational Chemistry and Drug Discovery can be combined to provide potentially exciting outcomes. For any of the courses, interest in science is the most important criterion. We are also offering ‘Chemical Biology’ as an elective, ‘rate, order & mechanism’, and ‘Inorganic Chemistry’.

For Ph.D. course, we are offering research methodology which will teach the students best practices of research, effective communication, both oral and written, ethical research practices and dissemination. In addition, many courses on different aspects of chemical sciences will be offered which will prepare the students for frontier research.

Career Opportunities

We believe that the chemistry major at Ashoka will provide very successful career opportunities from academics to researchers in labs, mission-driven research, many alternate science careers, industries as well as entrepreneurship in the form of start-ups.


Prof Sourav Pal is a distinguished theoretical chemist and has contributed to methodological and conceptual developments on many-body electronic structure theory, to the area of density-based chemical reactivity as well as to catalytic and hydrogen storage materials using computational material science. In particular, he is well known for his contributions to the development of rigorous ab initio coupled-cluster theory for molecular electronic structure. He has published over 300 papers and guided about 45 Ph.D. theses. Prof. Sourav Pal is currently heading the Department of Chemistry. He has wide experience as an immediate former- director of IISER Kolkata before joining as well as ex-director of the famous National Chemical Laboratory (NCL) Pune. In between he worked at IIT Bombay as Professor. Prof Pal is a Bhatnagar awardee, a Fellow of all National Academies of Science, an Executive Board member of Commonwealth Chemistry, and a Board member of the Asia-Pacific Association of Theoretical and Computational Chemistry. He is presently Chairman of the Chemical Division Council of the Bureau of Indian Standards and was President of the Chemical Research Society of India, from 2014-2017. He is also a Fellow of the Royal Society of Chemistry, UK. These are a few recognitions, among several others.

51²è¹Ý

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51²è¹Ý appoints Prof. Sourav Pal as Professor and Head of the Department of Chemistry /ashoka-university-appoints-prof-sourav-pal-as-professor-and-head-of-the-department-of-chemistry/ /ashoka-university-appoints-prof-sourav-pal-as-professor-and-head-of-the-department-of-chemistry/#respond Tue, 18 Oct 2022 10:00:40 +0000 /?p=36523

51²è¹Ý appoints Prof. Sourav Pal as Professor and Head of the Department of Chemistry

51²è¹Ý announces the appointment of Prof. Sourav Pal as Professor and Head of the Department of Chemistry. Prof. Sourav Pal completed five-year tenure as Director of Indian Institute of Science Education and Research (IISER) Kolkata and joined 51²è¹Ý in October 2022. He has previously been the Director of CSIR-National Chemical Laboratory (NCL), Pune and worked at NCL Pune for almost 33 years. In between his tenure at NCL Pune and IISER Kolkata, he was also a Senior Professor at IIT Bombay.

Prof Sourav Pal was instrumental in setting up the Electronic Structure Theory Group at NCL. He is a distinguished theoretical chemist and has contributed to methodological and conceptual developments on many-body electronic structure theory, to the area of density based chemical reactivity, as well as to catalytic and hydrogen storage materials using computational material science. Development of the many-body electronic structure methodology and application of computational chemistry have been the continuing theme of his group at IIT Bombay and IISER Kolkata as well.

He completed a 5-year integrated Master's degree in Chemistry from Indian Institute of Technology (IIT) Kanpur in 1977, and Ph.D. from Calcutta University.  Recipient of many awards and honors in recognition of his contributions to science, including the prestigious Shanti Swarup Bhatnagar Award in Chemical Sciences in 2000 and SASTRA-CNR Rao Award in Chemistry & Materials Science in 2014, Prof. Pal was on the Editorial Advisory Board of the flagship Journal of Physical Chemistry and has published more than 300 papers in International peer-reviewed journals and contributed chapters to several books.  He has guided about 45 Ph.D. theses and is the author of a book titled "Mathematics in Chemistry". Prof Pal is Fellow of all National Academies of Science and Royal Society of Chemistry among many honors. He is on several scientific committees. He is presently the founding member of the Executive Board of Commonwealth Chemistry, chairman of Chemical Division Council of Bureau of Indian Standards, among many other committees.

Commenting on his appointment, Prof. Sourav Pal said "It is a very opportune time to be part of 51²è¹Ý and I am delighted to lead the Department of Chemistry. Over the next decade, 51²è¹Ý has made a commitment towards expanding into sciences with emphasis on conducting cutting-edge research in domains ranging from synthetic biology, chemistry of environment, renewable energy to health research where chemistry will play an important role. I am confident that over the next few years, Ashoka will produce globally recognised scientific research that will contribute to India's development.''

Sharing her thoughts on the appointment, Prof. Malabika Sarkar, Vice-Chancellor, 51²è¹Ý said "We are honored to have Prof. Sourav Pal as Professor and Head of the Department of Chemistry. With his guidance and leadership as an eminent Theoretical Chemist, I am certain that Ashoka will produce world-class research in sciences that will benefit the country.''

Ashoka is on a journey towards creating a leading multidisciplinary research university with a strong focus on teaching and learning. It is expanding its sciences department with a dedicated campus adjoining the current premises at Rajiv Gandhi Education City, Delhi NCR.

51²è¹Ý

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51²è¹Ý appoints Prof. Sourav Pal as Professor and Head of the Department of Chemistry

51²è¹Ý announces the appointment of Prof. Sourav Pal as Professor and Head of the Department of Chemistry. Prof. Sourav Pal completed five-year tenure as Director of Indian Institute of Science Education and Research (IISER) Kolkata and joined 51²è¹Ý in October 2022. He has previously been the Director of CSIR-National Chemical Laboratory (NCL), Pune and worked at NCL Pune for almost 33 years. In between his tenure at NCL Pune and IISER Kolkata, he was also a Senior Professor at IIT Bombay.

Prof Sourav Pal was instrumental in setting up the Electronic Structure Theory Group at NCL. He is a distinguished theoretical chemist and has contributed to methodological and conceptual developments on many-body electronic structure theory, to the area of density based chemical reactivity, as well as to catalytic and hydrogen storage materials using computational material science. Development of the many-body electronic structure methodology and application of computational chemistry have been the continuing theme of his group at IIT Bombay and IISER Kolkata as well.

He completed a 5-year integrated Master's degree in Chemistry from Indian Institute of Technology (IIT) Kanpur in 1977, and Ph.D. from Calcutta University.  Recipient of many awards and honors in recognition of his contributions to science, including the prestigious Shanti Swarup Bhatnagar Award in Chemical Sciences in 2000 and SASTRA-CNR Rao Award in Chemistry & Materials Science in 2014, Prof. Pal was on the Editorial Advisory Board of the flagship Journal of Physical Chemistry and has published more than 300 papers in International peer-reviewed journals and contributed chapters to several books.  He has guided about 45 Ph.D. theses and is the author of a book titled "Mathematics in Chemistry". Prof Pal is Fellow of all National Academies of Science and Royal Society of Chemistry among many honors. He is on several scientific committees. He is presently the founding member of the Executive Board of Commonwealth Chemistry, chairman of Chemical Division Council of Bureau of Indian Standards, among many other committees.

Commenting on his appointment, Prof. Sourav Pal said "It is a very opportune time to be part of 51²è¹Ý and I am delighted to lead the Department of Chemistry. Over the next decade, 51²è¹Ý has made a commitment towards expanding into sciences with emphasis on conducting cutting-edge research in domains ranging from synthetic biology, chemistry of environment, renewable energy to health research where chemistry will play an important role. I am confident that over the next few years, Ashoka will produce globally recognised scientific research that will contribute to India's development.''

Sharing her thoughts on the appointment, Prof. Malabika Sarkar, Vice-Chancellor, 51²è¹Ý said "We are honored to have Prof. Sourav Pal as Professor and Head of the Department of Chemistry. With his guidance and leadership as an eminent Theoretical Chemist, I am certain that Ashoka will produce world-class research in sciences that will benefit the country.''

Ashoka is on a journey towards creating a leading multidisciplinary research university with a strong focus on teaching and learning. It is expanding its sciences department with a dedicated campus adjoining the current premises at Rajiv Gandhi Education City, Delhi NCR.

51²è¹Ý

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Webinar – Why study Chemistry at 51²è¹Ý? /webinar-why-study-chemistry-at-ashoka-university/ /webinar-why-study-chemistry-at-ashoka-university/#respond Sat, 13 Feb 2021 09:00:46 +0000 /?p=5646

Webinar – Why study Chemistry at 51²è¹Ý?

51²è¹Ý invites high school students and teachers for a webinar on ‘Why study Chemistry at Ashoka?’ on Tuesday, 16 February at 6 PM. 

The study of Chemistry provides a molecular level of description as well as insights into chemical bonding, as to why a bond breaks and a new bond is formed. At Ashoka, our objective is to teach Chemistry in an integrative and holistic manner connecting with other branches of science, physics, biology, and material chemistry. Mathematics and computer sciences play key roles in simulation of molecules and materials.

A few broad topics that will be covered in this session -

  • What's unique about the programme?
  • Interdisciplinarity of the subject
  • Classroom environment and pedagogy
  • Faculty, guest lecturers and renowned visiting scientists
  • Research opportunities available to students
  • Innovation and developments in the field
  • Career opportunities and higher studies

Speaker:-
Sourav Pal
Visiting Professor of Chemistry,
51²è¹Ý
Ph.D. Calcutta University   

51²è¹Ý

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Webinar – Why study Chemistry at 51²è¹Ý?

51²è¹Ý invites high school students and teachers for a webinar on ‘Why study Chemistry at Ashoka?’ on Tuesday, 16 February at 6 PM. 


The study of Chemistry provides a molecular level of description as well as insights into chemical bonding, as to why a bond breaks and a new bond is formed. At Ashoka, our objective is to teach Chemistry in an integrative and holistic manner connecting with other branches of science, physics, biology, and material chemistry. Mathematics and computer sciences play key roles in simulation of molecules and materials.

A few broad topics that will be covered in this session -

  • What's unique about the programme?
  • Interdisciplinarity of the subject
  • Classroom environment and pedagogy
  • Faculty, guest lecturers and renowned visiting scientists
  • Research opportunities available to students
  • Innovation and developments in the field
  • Career opportunities and higher studies

Speaker:-
Sourav Pal
Visiting Professor of Chemistry,
51²è¹Ý
Ph.D. Calcutta University   

51²è¹Ý

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