The transformative role of catalysts and catalysis

From baking bread to making paper , humans have unknowingly been harnessing the power of catalysis for thousands of years. In fact, almost everything in your daily life has been produced through the process of catalysis. Catalysts are substances that facilitate chemical reactions by lowering the activation energy required for the reaction to occur. They increase the rate of the reaction without being consumed or permanently altered in the process. Their unique properties have made them indispensable in a myriad of vital real-world applications , from fuel and pesticides to the development of life-saving pharmaceuticals.

For example, one of the most prominent catalyst-enabled reactions, the "Haber-Bosch process”, produces ammonia for fertilizer and agriculture on an industrial scale. Using catalysts tremendously lowers the cost and accelerates the production of ammonia. Even now, the Harbor-Bosch process is the major production method of ammonia.

Another example is found in catalytic converters for cars which use platinum, palladium, or rhodium to reduce emissions of toxic compounds like hydrocarbons, carbon monoxide, and nitrogen oxides by 90%.

The role of catalysis in sustainable chemistry

Though sustainability may feel like a recent buzzword, sustainable environmental practices have been firmly on the agenda since the publication of the United Nation’s (UN’s) ‘Our Common Future’ in 1987. This groundbreaking report mapped out guiding principles for sustainable development as it is generally understood today, defining the concept as “development that meets the needs of the present without compromising the ability of future generations to meet their own needs.” This definition sums up the importance of implementing sustainability into all manufactured products.

The increasing emphasis on sustainability has sparked a transformative movement towards sustainable chemistry or 'green' chemistry , revolutionizing the way we design products and processes. This innovative approach seeks to enhance the efficiency of utilizing natural resources in chemical production. Three crucial avenues are pursued to achieve this goal: minimizing energy consumption, embracing environmentally friendly chemicals, and effectively managing material life cycles. Through these methods, sustainable chemistry is paving the way for a greener and more resource-efficient future.

Catalysts play a pivotal role in our pursuit of sustainable practices, offering a valuable tool to facilitate goals. They have contributed to the creation of biodegradable plastics, reducing our reliance on harmful materials. Furthermore, catalysts are instrumental in the production of fuels and fertilizers, optimizing efficiency and minimizing waste. Harnessing the power of catalysis empowers us to achieve remarkable feats in various fields while embracing sustainability as a guiding principle.

With surging demand for catalysts, there has been an increased call for environmentally friendly products to address issues with sustainable energy production, reduce industrial emissions, and tackle climate change. Using data from the CAS Content Collection™, we will explore the current research trends in sustainable catalyst research, highlighting key advances in this field.

Making catalysts more sustainable

Noble metals such as platinum, palladium, and iridium are widely used for their desired catalytic properties, such as high stability and temperature tolerance. They are also used to facilitate a wide array of chemical reactions, including Sonogashira coupling , Suzuki-Miyaura coupling , and Heck reaction .

However, the usefulness of noble metals is hindered by their high cost and limited availability. These precious metals are primarily obtained from large amounts of low-grade ores , requiring extensive mining efforts to extract even small quantities. This extraction process not only demands significant energy input but also poses potential environmental harm. Consequently, the utilization of noble metals in catalytic applications must be carefully weighed against the environmental impact and sustainability of such practices.

The limitations posed by the economic and environmental costs of noble metals, coupled with the growing global demand for catalysts, have spurred researchers to explore alternative options, particularly non-noble transition metals like titanium, iron, cobalt, and nickel. These metals offer several advantages over their noble counterparts. Firstly, they are more abundant, ensuring a sustainable supply for catalytic applications. Additionally, non-noble transition metals are more cost-effective, making them economically viable choices. Moreover, they exhibit low toxicity levels, reducing potential hazards in both production and application. Importantly, these metals are environmentally benign, minimizing adverse ecological impacts.

While non-noble metals present a promising alternative, it is important to acknowledge that they are not without their own challenges. Non-noble metals are often more reactive than noble metals; this reactivity may lead to the degradation of catalysts (reducing their durability) and to less selective catalytic activity (which leads to byproducts, generating wastes and reducing process efficiency). Moreover, the characterization of non-noble metals can be complex and demanding (Table 1).

Nonetheless, the development of sustainable catalysts with non-noble metals is gaining traction. Insights from the CAS Content Collection reveal a large increase in publications for non-noble metal catalysts/catalysis between 2012–2022 (Figure 1).

Technologies and advancements in catalysis

Over the past several decades, an array of specialized catalysts has been developed for essential real-world applications. These catalysts broadly fall into four sub-categories: electrocatalysts, photocatalysts, homogeneous catalysts, and biocatalysts (or enzymes).

Data from the CAS Content Collection shows that electrocatalyst-related publications are dominant in sustainable chemistry using non-noble metal catalysts (Figure 2 and Figure 3). Electrocatalysts participate in electrochemical reactions either as electrodes or as catalytic materials applied onto electrode surfaces. Traditionally, platinum has been widely employed in electrocatalysis. However, its limited availability and high cost have prompted researchers to explore alternatives. One noteworthy example involves the use of nitrogen-doped graphene augmented with cobalt atoms , which has proven to be an efficient and durable catalyst for generating hydrogen from water. Approaches like this represent a significant step toward lower-cost catalysts for energy production.

Photocatalysis is a process by which semiconductor materials absorb light energy and produce electron-hole pairs that drive reduction and oxidation reactions. It is important for solving energy and environmental problems in reactions such as water splitting to produce hydrogen and the decomposition of pollutants respectively (Figure 4). However, a major research challenge is finding non-noble metal semiconductor materials capable of splitting water using only solar energy. Several strategies are being explored in this area, including the use of co-catalysts or multi-component nanointegration .

Noble metals such as platinum and palladium are also predominant in homogeneous catalysis due to their high activity, stability, and versatility. However, finding substitutes for noble metals in homogeneous catalysts presents a complex and ongoing challenge for researchers. A key reaction facilitated by these catalysts is Sukuzi coupling. Famously, reports where authors claimed to demonstrate palladium-free Suzuki coupling were later shown to be catalyzed by low levels of palladium contaminants. However, the use of radical reaction initiators like iodine, eosin, and tetrabutylammonium iodide holds promise in this area (Figure 5).

Biocatalysts, which are catalysts based on enzymes, offer a remarkable example of green and sustainable catalysts. Produced from readily available renewable feedstocks, they are organic, biodegradable, non-toxic, and can function under mild reaction conditions. A key potential application of biocatalysts is in the sustainable generation of biofuels from vegetable oils and fats by the transesterification of fatty acids with methanol. The reaction produces biodiesel (fatty acid methyl esters) and glycerol as a byproduct (Figure 6). The combination of biocatalysts and metal catalysts is also an emerging approach to achieving the sustainability of valuable molecule production.

A catalyst for change

In the wake of the UN Climate Change Conference (COP27) and the UN Biodiversity Conference (COP15), there has been a notable surge in corporate commitments to embrace more sustainable practices . As catalysts remain indispensable in the chemical industry, there is a growing impetus to explore novel catalytic concepts that can enhance the efficiency and sustainability of essential product manufacturing. Recognizing this need, the U.S. Department of Energy has made a dedicated commitment to support fundamental catalyst research.

The significant advancements in sustainable catalyst research in the past decade signify that the pursuit of environmentally friendly solutions is well underway. While the full potential of this market is yet to be realized, we anticipate a promising future for non-noble, metal-based catalysts across diverse domains encompassing organic, inorganic, and bio-based substances.

For further insights into the future of sustainable catalysis, we invite you to explore our recent publication in ChemRxV.

Data-rich, information-poor: The reversible curse of the pharmaceutical industry

The pharmaceutical industry generates and retains abundant scientific and business information, from pre-clinical studies to sales. However, these documents are typically held in siloed sources and lead to substantial annual storage expenses, encompassing about 52% of a business’ storage budget .

Unaware of this dark data or how to maximize its potential, companies inevitably fall into the “data-rich, information-poor” or “DRIP” situation . This concept describes organizations with significant amounts of data but no processes to produce valuable information and gain a competitive advantage.

Thanks to the rise of digitalization, companies can implement advanced organizational tools that help them stop generating dark data and effectively transform currently latent information into evidence-based insights. However, cleaning, organizing, and exploiting massive data can become overwhelming. Engaging with an outside data expert offers a tailored, step-by-step approach to pharmaceutical companies ready to bring their knowledge management system to the next level.

Digitize and harmonize: Bringing structure to the dark data chaos

Pharma companies can retrieve and use dark data to direct R&D investment, optimize formulations, identify production bottlenecks, and assess quality systems and controls. However, the Nature article “Scientists losing data at a rapid rate” estimated that about 80% of scientific data becomes unavailable in 20 years or less, making proper information retrieval perilous.

Building up in binders, drawers, and unsecured virtual platforms, dark data can take many forms which are often disconnected. As years go by and teams evolve, a company’s knowledge can quickly become scattered and hard to retrieve. By digitizing your legacy documents and collecting all the information in a single knowledge management platform, you can increase data retrieval efficiency, reduce resource allocation towards data management tasks, and improve experience sharing within your organization.

A clear benefit is demonstrated through the launch of Pistoia Alliance Chemical Safety Library , which facilitates information sharing between scientists to improve laboratory safety.

Expertise can help digitize and harmonize data
Transforming latent data into searchable and exploitable assets requires expertise to perform proper document digitization, reliable quality checks, and safe integration into your company’s ecosystem. A good outside partner understands and masters every component to help create a unique data collection tailored to your need.

From abandoned drug development to market successes, your company’s past overflows with valuable lessons. By structuring and harmonizing this dark data, a data partner can help you transform latent information into evidence-based insights with endless opportunities for innovation.

Benefits of a data management partnership:

• Properly digitized physical documents, including scientific articles, reports, lab journals, images, and videos into digital formats.

• Harmonized digital content with consistent terminologies, abbreviations, and formats.

• Confirmed data quality, accuracy, and integrity to ensure robust foundations for your knowledge management platform.

• Custom designed search tools to improve data accessibility and retrieval.

• Ensured long-term data maintenance and management by implementing tailored acquisition strategies.

Analyze and optimize: Finding patterns and opportunities in your data

Dusting off dark data and structuring your knowledge management platform can greatly extend your company’s value. By analyzing massive datasets, companies can identify previously unseen trends. Uncovering patterns in previous discovery R&D, formulation data, or manufacturing methods can significantly save time, improve processes across your value chain, and support critical business decisions.

A digital transformation effort of Mana.bio highlights how pharma companies can optimize the success of their unique internal platforms, databases, and workflows through the integration of quality curated data and technology. Through this initiative, Mana.bio updated its proprietary database to fuel its drug delivery AI engine, with an expected 70% reduction in resources allocated to molecular data acquisition and preparation.

As your knowledge management platform grows in accuracy and value, your team can confidently identify trends and start working toward their next discovery. Uncovering patterns becomes easier, quicker, and more rewarding.

How an outside partner can help pharma improve data analysis and insight generation
An outside partner will be an expert at designing comprehensive, fully-functional data platforms to offer companies a complete view of their data landscape. By teaming up with a data expert, pharmaceutical businesses can:

• Establish a data foundation for analytics and insights with strong frameworks and data integrity.

• Identify knowledge gaps and project opportunities to fill them.

• Get support with data visualization and analytics to uncover patterns and trends.

• Expand and supplement their internal data with additional content.

Connect and Innovate: Get the right information to the right people

Pharma companies gather many bright and knowledgeable individuals dedicated to revolutionizing healthcare. However, communication among the company's experts is often disjointed, jeopardizing growth opportunities and affecting innovation progress. In the era of digitalization, reports show that companies could increase workers' productivity 20 to 25% by using social technologies like data management.

From R&D, operations, and quality management to IT, marketing, and finances, departments must work hand-in-hand to provide patients with the best pharmaceuticals. Through a company-wide knowledge management system, you can provide your teams with a secure workspace to efficiently share data, past experiences, and best practices.

A cloud-based platform brings real-time collaboration to the next level, allowing researchers, engineers, and technical experts to search and retrieve information quickly, giving your teams the data accessibility and collaborative environment they need to make business-changing decisions faster.

How an outside data partner can help pharma companies connect and innovate
By partnering with an expert in high-level knowledge management systems, pharmaceutical leaders can:

• Create a shared cloud-based knowledge management platform that is company-wide and suitable for all their teams.

• Ensure data safety and minimize breaches by enforcing user access control and limiting third-party software use.

• Facilitate secure exchanges of confidential or sensitive information through secure channels.

• Promote interdisciplinary brainstorming and collaboration to multiply avant-garde visions and accelerate innovation.

Knowledge management and dark data: Essentials of the pharmaceutical innovators

While long considered “nice-to-have” in the pharma industry, a robust and secure knowledge management system now represents an essential breeding ground for innovative and collaborative work. Structured and harmonized in a company-wide interface, formerly unworkable dark data can quickly change into valuable insights for industrials seeking growth opportunities.

As digitalization continues gaining ground, leveraging dark data and cognitive tools in the pharma industry becomes necessary to stay on top of innovation in the drug development sector.

To learn more about digital transformation and data management, check out our case studies with CAS Custom Services. 

One of the most remarkable demonstrations of chemistry’s power is space exploration. From the first unmanned missions in the late 1950s to the space shuttle program and now Artemis, innovations in rocket fuel and engine technologies continue to advance the reach, capability, and sustainability of space exploration, showing in real-time how chemistry is powering this field.

Optimized rocket fuel is key to mission success

Rockets rely on various combinations of fuel and oxidizers to generate the tremendous power needed to overcome Earth’s gravity. Oxidizers and fuels are stable elements at room temperature, but when mixed and triggered by a heat source, they create an explosive reaction that provides the rocket’s thrust.

By adjusting the ratio of fuel to oxidizer, engineers can control various aspects of the rocket’s performance. Each combination provides a unique set of characteristics, benefits, and drawbacks, impacting performance measures like thrust efficiency, as well as other considerations such as toxicity, cost, and safety. As such, choosing the best propellant package for each voyage is a critical decision that depends on many variables related to the rocket’s mission.

Gaseous propellants, for example, are impractical for most long-distance rockets because of the large volume that would be required, but compressing and cooling these substances into their corresponding liquid phases provides an optimal volume-to-power ratio for large-scale rocket applications. Some propellants, however, have extremely low boiling points and require cryogenic cooling at temperatures below –150 °C (–238 °F) to liquefy. That can be a significant drawback to using these fuels for rocket propulsion, so the benefits must outweigh the costs and challenges of this requirement for a specific mission to justify their selection.

Two important performance characteristics of propellants, which are sometimes confused, are thrust and specific impulse. Thrust measures the propellant’s reaction force potential, or the amount of weight the rocket will be able to lift. Specific impulse (Isp) defines how efficiently a propellant can convert its mass into thrust, based on the time that a certain quantity of propellant can push a load. Engines using propellants with a high specific impulse tend to have lower thrust but use their propellant’s mass more efficiently. In short, they get greater gas mileage.

Table 1 compares the key properties of common rocket fuel packages. The RS-25 engine employed by NASA’s Artemis Space Launch System (SLS) rocket uses the LOX/LH₂ propellant package. However, rockets being developed by some commercial organizations, including SpaceX’s Raptor and Blue Origin’s BE-4, are powered by the Liquid Methane/LOX package.

Among modern rocket propellants, LOX/LH₂ exhibits the highest Isp value. That efficiency and a track record of reliability are the primary reasons why the LOX/LH₂ package has been commonly used as a rocket propellant for the last five decades, in spite of both atoms requiring cryogenic cooling. Also, while other propellants release large quantities of polluting chemicals and greenhouse gases after combustion, the primary by-product produced by the combustion of LOX/LH₂ is water, making it a more sustainable fuel.  

Note: *RP-1 (Rocket Propellant-1) is a highly refined form of kerosene and is widely used in liquid rocket engines (i.e., the Saturn V rocket engine).

Radical reaction chemistry of LOX/LH₂ rockets

Hydrogen and oxygen are stable elements that will not spontaneously react when mixed at room temperature. For a reaction to occur, H–H and O=O covalent bonds need to be broken. When enough energy is supplied to overcome the H–H and O=O bonding energy, a chain reaction will occur until water is formed. This reaction toward water’s stable structure releases large amounts of energy during H₂ combustion with O2.

Despite this reaction’s apparent simplicity, H₂ combustion with O2 is complex and involves several intermediary reactions with H and O radicals. The main reactions leading to the formation of water are listed in Figure 1. Chain-branching reactions occur when one radical generates two or more radicals (Figure 1, reactions 3 and 4). Because these reactions produce more reactive radicals than they consume, they accelerate, explaining the explosive nature of the reaction.

These radical reactions don’t always happen in the exact order displayed in Figure 1, and other radicals not mentioned here may be formed through other chain reaction schemes. Propellant mixture, pressure, and temperature also influence H₂ combustion kinetic mechanisms.

Advancing engine design to power Artemis

In addition to fuel optimization, rocket engine design is equally critical to maximizing the power of modern rockets. Today’s rocket engine designs leverage foundational innovations developed during Germany’s World War II V-2 rocket program. The availability of new materials and other technological innovations have allowed engineers to advance these designs to increase the power, durability, reliability, and efficiency needed to power modern space missions.

Designed in the 1970s by Aerojet Rocketdyne, the RS-25 engine was originally developed and used for NASA Space Shuttle missions. Five generations of innovation later, the RS-25s that power Artemis’ SLS rocket are sophisticated cryogenic engines that incorporate decades of technology advancements and design optimizations, making them some of the most efficient and powerful rocket engines ever produced.

To create a powerful and consistent thrust, rocket engines need to be fed with a large volume of high-velocity liquid propellant via the turbopump. The first version of the turbopump (Figure 2) was developed by V-2 engineers in the 1940s. It was revolutionary in its design and performance, with one steam turbine rotating at 4,000 rpm to drive centrifugal pumps for both the fuel and oxidizer. More than 60 years later, the modern turbopump is still one of the most critical and complex components responsible for the performance of modern rocket engines.

U.S. Manned Rocket Propulsion Evolution

The RS-25 engines in the Artemis rocket utilize the LOX/LH₂ cryogenic propellant package based on its superior specific impulse. However, a significant difference between the densities and flow rates of LH₂ and LOX prevents the RS-25 from operating on a single turbopump. Hydrogen’s density is extremely low (71 g/L), which means that it will take 2.7 times as much LH₂ to proportionally match the LOX quantity for efficient combustion to happen. To accommodate these very different cryogenic liquids and their physical properties the RS-25 uses two separate turbopumps.

These modern high-pressure turbopumps are feats of engineering. Their turbines contain dozens of blades that are only the size of a quarter. Rotating between 28,000 and 35,000 rpm, each blade provides more power than a Corvette engine, allowing these turbopumps to generate tens of thousands of horsepower.

Space aspirations driving innovation across industries

Rocket fuel and engine technologies are obvious areas of innovation driven by the space program. However, the current focus on returning humans to the moon and eventually reaching Mars also serves as a catalyst to accelerate new research across a wide range of industries including medicine, material science, communications, electronics, and even agriculture. Many of these innovations, in addition to enabling space missions, result in improvements to products that benefit all of us here on Earth as well.

Interested in other new technologies being developed for the Artemis mission? Read more about innovations in food science that will nourish astronauts heading to the moon and beyond.

Maximizing digitalization ROI: A challenge for pharmaceutical businesses

On average, drug companies spend 10 to 15 years developing, validating, and marketing a new product. However, the recent COVID-19 pandemic and successful, lightning-fast mRNA vaccine development shed light on the potential of digital tools to accelerate processes. This major event deepened the pharmaceutical industry's interest in undergoing digital transformation and implementing cognitive tools into their processes. However, digitalization can be complicated and difficult to achieve.

About 55% of pharmaceutical firms report using digital technologies to some degree. However, a lack of expertise in knowledge management and experience with digital tools often transforms this smart initiative into a debatable investment. With roughly 70% of digitalization programs failing, pharma companies need to reevaluate where to invest their digitalization dollars and optimize their deployment strategies to unlock competitive advantages and generate life-changing pharmaceuticals.

With a deep understanding of robust knowledge management, cognitive tools, and how they intertwine, pharma companies can revolutionize their processes at all levels and breed better global healthcare.

Digitization and knowledge management: Facilitating company-wide data access to accelerate innovation

Pharmaceutical companies generate massive volumes of information, from ingredient information, formulation, and clinical trial data to processing time, production, and quality control reports. These new documents quickly pile up when using existing legacy information sources and siloed databases, making search and retrieval challenging. Unstructured and unharmonized, past experiment results get lost in the “dark data” realm, accounting for an estimated 55% of all organization knowledge.

Without easy access to historical data across departments, pharmaceutical companies are likely to repeat previous mistakes or investigate questions that already have answers. To accelerate innovation and significantly shorten product time to market, digitalization is key.

Pharma companies are transforming historical documents, such as lab journals, datasets, and reports, into searchable assets in a connected knowledge management platform. This allows individuals throughout the organization to access ingredient-level information, supplier details, regulatory guidelines, and other scientific and business intelligence. These companies are taking this a step further by introducing an online user interface to connect teams in different departments and regions.

Through thoughtful digitalization, pharma companies can further facilitate, streamline, and expand R&D, manufacturing, and commercialization while promoting interdisciplinary work and international collaboration.

Streamlining drug development: Accelerating therapeutics innovation with cognitive tools

The age of digitalization is transforming the pharmaceutical industry, providing researchers with revolutionary tools to improve time to market and safety.

The development of COVID-19 vaccines in less than a year propelled Pfizer into the center of the pharmaceutical scene. While Pfizer’s workforce efficiency is indisputable, the company’s unprecedented response time and competitive advantage are rooted in well-established pipelines implemented long before the pandemic. A pioneer in digital strategies, Pfizer understood the transformative potential of knowledge management, data analytics, and AI initiatives for the pharmaceutical sector and incorporated them into its daily operations.

With decades of expertise and research data available, pharma giants can narrow lead candidates to the best, safest options. For instance, AI-driven algorithms combined with previous clinical data allowed researchers to design and supervise extensive clinical trials with real-time predictive models of COVID-19 attack rates. Pushing the boundaries beyond the laboratory’s doors, knowledge management strategies and AI models enabled inventory prediction and supply chain monitoring, streamlining vaccine development, distribution, and accessibility.

Robust data foundations and cognitive tools deployed throughout their value chain gave Pfizer a definite head-start in the COVID-19 vaccine race. From initial drug candidate selection to treatment monitoring, the power of cognitive tools in accelerating drug development has been proven. However, AI predictions only reach their full capabilities if properly trained with clean, curated, and protected datasets. To launch or optimize AI in pharma R&D workflows, you must first evaluate the quality of your data and knowledge management infrastructure.

Digitalization and data security: Protecting proprietary information, patient privacy, and research integrity

Through extensive drug discovery phases and clinical trials, the pharma industry has access to critical manufacturing processes and patient health information. This is precious data for competitors and malevolent individuals. With the growth of cyberattacks (nearly 1 every 39 seconds) and medical identity theft (35% in 2019), implementing robust security strategies in the pharma industry is now an urgent matter.

Reports define pharma companies as prime targets of cyber attackers, with 53% of privacy breaches resulting from malicious activity. Confidential information spread across different departments, platforms, and software makes it challenging for companies to guarantee data protection and a secure environment. Implementing an organization-wide knowledge management interface can enforce strict user access control while eliminating data breaches. Cloud-based collaborative platforms with secure channels where researchers and clinicians can safely share sensitive information and avoid risks of device corruption are becoming more common in the pharmaceutical industry. However, transitioning from siloed on-premises legacy solutions to cloud-based platforms or custom hybrid versions is complex and slow to adopt. To streamline the transition to updated knowledge management ecosystems while safeguarding data, pharma companies should look to digital transformation partners with knowledge in their field.

Digital transformation in pharma

Digitalization has the potential to drastically transform the pharmaceutical industry, allowing for better knowledge management, accelerated innovation, and improved data security while reducing drug time to market. However, an ill-conceived digital transformation strategy can result in wasted resources and increased risk.

As pharma’s digital transformation continues to evolve, digital technologies and cognitive tools are finding their way into all aspects of the industry, allowing for faster drug development and expanded treatment options for a growing number of conditions. Digital transformation strives to bring innovative healthcare solutions in a sustainable, responsible, and accessible way.

To learn more about digital transformation and data management, check out our case studies with CAS Custom Services^SM.