Tuesday, October 15, 2024

Catalyst Magic: Game-Changing Method for Alkane Activation Discovered in Japan

Catalyst Magic: Game-Changing Method for Alkane Activation Discovered in Japan



Researchers have developed a novel method to activate alkanes using confined chiral Brønsted acids, significantly enhancing the efficiency and selectivity of chemical reactions. This breakthrough allows for the precise arrangement of atoms in products, crucial for creating specific forms of molecules used in pharmaceuticals and advanced materials.



Scientists at Hokkaido University in Japan have achieved a significant breakthrough in organic chemistry with their novel method for activating alkanes—key compounds in the chemical industry. Published in Science, this new technique simplifies the conversion of these fundamental elements into valuable compounds, enhancing the production of medicines and advanced materials.

Alkanes, a primary component of fossil fuels, are essential in the production of a wide range of chemicals and materials including plastics, solvents, and lubricants. However, their robust carbon-carbon bonds render them remarkably stable and inert, posing a significant challenge for chemists seeking to convert them into more useful compounds. To overcome this, scientists have turned their attention to cyclopropanes, a unique type of alkane whose ring structure makes them more reactive than other alkanes.

Many of the existing techniques for breaking down long-chain alkanes, known as cracking, tend to generate a mixture of molecules, making it challenging to isolate the desired products. This challenge arises from the cationic intermediate, a carbonium ion, which has a carbon atom bonded to five groups instead of the three typically described for a carbocation in chemistry textbooks. This makes it extremely reactive and difficult to control its selectivity.

Precision and Efficiency in Catalysis

The research team discovered that a particular class of confined chiral Brønsted acids, called imidodiphosphorimidate (IDPi), could address this problem. IDPi’s are very strong acids that can donate protons to activate cyclopropanes and facilitate their selective fragmentation within their microenvironments. The ability to donate protons within such a confined active site allows for greater control over the reaction mechanism, improving efficiency and selectivity in producing valuable products.

“By utilizing a specific class of these acids, we established a controlled environment that allows cyclopropanes to break apart into alkenes while ensuring precise arrangements of atoms in the resulting molecules,” says Professor Benjamin List, who led the study together with Associate Professor Nobuya Tsuji of the Institute for Chemical Reaction Design and Discovery at Hokkaido University, and is affiliated with both the Max-Planck-Institut für Kohlenforschung and Hokkaido University. “This precision, known as stereoselectivity, is crucial for example in scents and pharmaceuticals, where the specific form of a molecule can significantly influence its function.”

Catalyst Optimization and Computational Insights

The success of this method stems from the catalyst’s ability to stabilize unique transient structures formed during the reaction, guiding the process toward the desired products while minimizing unwanted byproducts. To optimize their approach, the researchers systematically refined the structure of their catalyst, which improved the results.

“The modifications we made to certain parts of the catalyst enabled us to produce higher amounts of the desired products and specific forms of the molecule,” explains Associate Professor Nobuya Tsuji, the other corresponding author of this study. “By using advanced computational simulations, we were able to visualize how the acid interacts with the cyclopropane, effectively steering the reaction toward the desired outcome.”



The researchers also tested their method on a variety of compounds, demonstrating its effectiveness in converting not only a specific type of cyclopropanes but also more complex molecules into valuable products.

This innovative approach enhances the efficiency of chemical reactions as well as opens new avenues for creating valuable chemicals from common hydrocarbon sources. The ability to precisely control the arrangement of atoms in the final products could lead to the development of targeted chemicals for diverse applications, ranging from pharmaceuticals to advanced materials.

Reference: “Catalytic asymmetric fragmentation of cyclopropanes” by Ravindra Krushnaji Raut, Satoshi Matsutani, Fuxing Shi, Shuta Kataoka, Margareta Poje, Benjamin Mitschke, Satoshi Maeda, Nobuya Tsuji and Benjamin List, 10 October 2024, Science.

Alkane activation
Catalyst innovation
C-H bond activation
Hydrocarbon functionalization
Sustainable chemistry
Green catalysis
Selective oxidation
Organometallic catalysis
Transition metal catalysts
Japanese chemical research
Reaction efficiency
Catalytic cycles
Chemical transformation
Low-energy pathways
Catalysis breakthrough

#AlkaneActivation
#CatalystInnovation
#GreenChemistry
#SustainableCatalysis
#ChemicalBreakthrough
#C_HBondActivation
#Organometallics
#EnergyEfficient
#ChemistryResearch
#JapaneseScience
#TransitionMetalCatalysts
#SelectiveOxidation


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Award Information - International Analytical Chemistry Awards

Welcome to the International Analytical Chemistry Awards - International Analytical Chemistry Awards, a premier event in the realm of International Analytical Chemistry Awards. Here's what you need to know about this exciting Award :

  • Theme: The theme for International Analytical Chemistry Awards is "Sustainable International Analytical Chemistry Awards for a Connected Future."
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Monday, October 14, 2024

Micro-Textures: Hard Particle Mask Electrochemical Machining #sciencefat...

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Toward Quantum Advantage: Qunova’s HiVQE Algorithm Transforms Quantum Chemistry

 



Qunova Computing’s recent breakthrough using its HiVQE algorithm not only achieved chemical accuracy on several NISQ quantum computers but also accelerated computations by 1,000 times.

This advancement significantly narrows the gap to achieving a quantum advantage in chemistry, offering the potential to revolutionize how we approach complex chemical problems with quantum computing. This achievement marks a major leap towards practical and scalable quantum applications in the chemical industry.

Groundbreaking Results in Quantum Computing

Qunova Computing, a company developing quantum software for the chemical, pharmaceutical, and industrial engineering sectors, announced today that its algorithm has achieved unprecedented levels of accuracy in tests on three different Noisy Intermediate-Scale Quantum (NISQ) era quantum computers, each with varying numbers of qubits. In each test, the algorithm produced results with an accuracy below the 1.6 millihartrees threshold required for practical quantum chemistry applications, a standard referred to as ‘chemical accuracy’. This is the first time such accuracy has been reached on a commercially available quantum computer.

Pioneering Achievements Demonstrated Live

“This is a very exciting result for our team, and indeed for the quantum computing community more broadly,” said June-Koo Kevin Rhee, CEO and Founder of Qunova Computing. “These results show that we are able to meet the requirements of industrial users on existing NISQ machines. We anticipate that running a similar demonstration on a NISQ machine with as few as 40 qubits could provide industrial users with a real quantum advantage. To that end, our team will spend the coming months preparing experiments to confirm if this theory is correct.”


Hardware-Agnostic Algorithm Performance

During the Quantum Korea 2024 event, Qunova demonstrated chemical accuracy using a 20-qubit IQM machine. This demonstration was performed successfully for 3 days in a row, to produce energy estimations of three different geometries of lithium sulfide (Li2S) for an hour each day, live at the event. Previous to that, in a 24-qubit experiment using an IBM Quantum Eagle processor, Qunova also demonstrated its algorithm could reach a computational accuracy of 0.1 millihartrees in modeling the ground state energy of lithium sulfide, which is well beyond what is required for chemical accuracy. The company has also recently achieved comparable results using the IBEX Q1 quantum computer, an ion-based machine from AQT that supports up to 20 qubits.

These results indicate that the quantum algorithm Qunova has developed is hardware-agnostic. These tests were conducted on a range of different molecules including lithium sulfide, hydrogen sulfide, water, and methane.

Industry Partnerships and Future Applications

“The results Qunova has demonstrated mark a significant milestone for end-users aiming to use quantum hardware for applications in the field of chemistry. IQM is pleased to have supplied the hardware on which this demonstration was run repeatedly, over multiple days, during this summer’s Quantum Korea event. Our commercial quantum system ran reliably and, together with Qunova’s advanced algorithm, demonstrated that we are now entering the era when quantum computing can deliver real value for users in the form of new business applications,” said Dr. Peter Eder, Head of Strategic Partnerships at IQM Quantum Computers.

“At AQT, our aim is to solve challenges beyond classical computing capabilities, pushing boundaries to address business needs. Providing quantum hardware on which Qunova was able to achieve chemical accuracy is an excellent example of the kind of value we aim to deliver with our partners. The results from this experiment, using our 20-qubit trapped-ion system, show that Qunova’s solution is truly hardware agnostic, which is an impressive achievement. Through our cloud solution, ARNICA, we remain committed to accelerating quantum discovery and making this transformative technology readily available,” added Dr. Thomas Monz, CEO at AQT.

A New Era of Quantum Efficiency

Unlike simulations done on classical computers using traditional Variational Quantum Eigensolvers (VQEs), which are not scalable, the Qunova solution functions on all types of quantum computers and provides computational accuracy sufficient to carry out advanced computations for chemistry. Meanwhile, VQEs run on quantum systems have thus far failed to achieve chemical accuracy. Qunova has achieved this using its new kind of simplified VQE, dubbed “HiVQE” or “Handover Iteration VQE”.

The results show that using this HiVQE solution reduces the computational resources required to compute these problems by 1,000 times or more, when compared with traditional VQEs. Qunova therefore estimates that its algorithm has the potential to deliver a quantum advantage for chemical computations, over classical computers, using a NISQ machine with as few as 40-60 qubits.

The key to this breakthrough was to develop a computational method without carrying over errors in the quantum computing procedure. “Pauli word measurements” were therefore removed from the traditional VQE algorithm to simplify problems and harvest only essential data related to the orbitals of each molecule. Then, those outcomes were fed into classical machines to calculate the result with the lowest energy very quickly, which allows chemical accuracy to be achieved. This also enabled the computations to run 1,000x more efficiently.


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Saturday, October 12, 2024

 

New Catalyst for Efficient Methane Production Using Electricity



It is the primary component of natural gas and, when produced using green electricity, is largely climate-neutral. The researchers' understanding of the model system they examined can be applied to large-scale technological catalysts. It is possible to generate other significant chemical compounds using this technique.

The researcher moved from the University of Montreal to the Institute of Inorganic Chemistry at the University of Bonn. He initiated his most recent study while in Canada and completed it after relocating to his new institution.

The study discusses water (H2O) and carbon dioxide (CO2). The researchers brought these two partners together using a gas diffusion electrode. The reaction requires separating the two oxygen atoms (chemical symbol: O) from the carbon atom (C) and substituting them with four hydrogen atoms (H). Water is the source of the hydrogen.

Preventing Side Reactions

The issue with this approach is that water prefers to go through a different reaction and will instantly split into hydrogen and oxygen when it comes into contact with an electric current.

This is the function of the recently created catalyst, which is applied to the electrode. Above all, it ensures that carbon dioxide reacts faster and makes it easier to form methane. It does this by weakening the bonds that bind the carbon atom to the two oxygen atoms and containing the carbon dioxide in its so-called “active center.”

The following step involves gradually substituting four hydrogen atoms for these oxygen atoms. At this point in the process, the catalyst requires water. However, it must also maintain a safe distance to prevent any unwanted side effects.

Water-Fearing Molecular Chains

This specialized phrase translates to “having a fear of water” and is derived from Greek. The side chains serve as a kind of conveyor belt, keeping the H2O molecules away from the electrode and active center. In other words, they grab hydrogen atoms from the water molecules and move them to the active core, where they combine with the carbon atom. In this fashion, CO2 is transformed into CH4 in numerous phases.

This reaction creates almost no unwanted side products, and the process is efficient over 80%. Nevertheless, the catalyst is not truly ideal for the large-scale generation of methane.

The researcher thinks there are other uses for this technique besides the production of methane. He believes that it may be more profitable to produce other chemical compounds, such as ethylene, which is the raw material for many plastics. Hence, in the medium run, it might be possible to reduce the environmental impact of plastic manufacture by using the novel catalyst method whenever feasible.

The investigation had participation from the following institutions: The Universities of Bonn, Montreal (Canada), Swansea (Wales), Bayreuth, Oulu (Finland), Hohenheim, FU Berlin, and the Synchroton SOLEIL in Saint-Aubin (France).

The research was supported by the Natural Sciences and Engineering Research Council of Canada (NSERC), the Engineering and Physical Sciences Research Council (EPSRC), the Higher Education Funding Council for Wales (HEFCW), and the Erasmus+ program from the EU.

  • Methane production
  • Catalysis
  • Electrocatalysis
  • Renewable energy
  • Green chemistry
  • Sustainable fuel
  • Carbon-neutral methane
  • Electricity-driven synthesis
  • Energy efficiency
  • CO2 reduction
  • Hydrogen generation
  • Catalyst innovation
  • Electrochemical processes
  • Clean energy
  • Methane synthesis

    • #MethaneProduction
    #Catalysis
    #Electrocatalysis
    #GreenEnergy
    #SustainableFuel
    #CarbonNeutral
    #RenewableEnergy
    #CleanTech
    #EnergyEfficiency
    #CO2Reduction
    #HydrogenEconomy
    #Electrochemical

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    Thursday, October 10, 2024

    Smart New Laser Technology Can Monitor Greenhouse Gases Faster, More Sensitively


    Scientists at the National Institute of Standards and Technology (NIST) have developed a new laser-based technique that could dramatically improve our ability to analyze a variety of materials and gases, including greenhouse gases. This new method, called “free-form dual-comb spectroscopy,” offers a faster, more flexible and more sensitive way to analyze substances in the air and other materials.

    • New laser technology, known as free-form dual-comb spectroscopy, quickly measures gases of interest by homing in on the most information-rich parts of a sample.
    • In this study, the system creates real-time images of methane plumes not visible to the naked eye.
    • This technique can be used for many different gases and materials. When adjusted to focus on one specific gas, it becomes much more sensitive than older methods.

    Technological Advancements

    Spectroscopy is a sophisticated technique that allows scientists to identify and measure different materials by observing how they interact with light. Just as a prism separates white light into a rainbow of colors, spectroscopy separates the light coming from or passing through a substance, revealing its unique “fingerprint” and providing valuable information about its properties and composition.

    The NIST researchers have created an improved version of a laser-based measurement technique called dual-comb spectroscopy. Dual-comb spectroscopy is a particularly high-resolution form of spectroscopy that allows many colors of light to be examined at the same time and in fine detail.

    The new laser measurement technique improves on older methods by allowing scientists to control the timing of laser pulses with incredible precision. This precise control lets them focus on the most important parts of a sample’s fingerprint and ignore areas that don’t provide useful information. As a result, the smarter system can detect and measure substances much faster than before.

    This new approach can be used in several ways. For example, scientists can use it to quickly create images showing how the gas is distributed in space. Alternatively, if researchers don’t know exactly what kind of gas is in the area they are investigating, they can use a generic technique called compressive sampling. This is a “smart” method of making measurements, concentrating on areas likely to have important information and taking fewer measurements elsewhere. This strategy makes the whole process 10 to 100 times more efficient than traditional methods.

    Visualizing Gas Plumes

    This technology can create fast, detailed images of a variety of gas clouds. In this study, researchers created real-time images of methane plumes. Methane is a potent greenhouse gas that contributes to climate change, so being able to detect and address these leaks efficiently could one day help protect the environment and improve air quality. By quickly generating images of methane plumes, scientists could quickly identify where gas is escaping. 

    Two Lasers Are Better Than One

    Free-form dual-comb spectroscopy may be a mouthful to pronounce, but understanding how this technology works can be more easily digested by breaking it down into several parts that work seamlessly together.

    The heart of this method lies in the Nobel Prize-winning optical frequency comb, a laser tool that produces light at a series of equally spaced, precise frequencies that resemble the teeth of a comb. These frequency combs are used for a variety of purposes, from precision timekeeping to medical diagnostics and even the search for elusive dark matter.

    The “dual-comb” aspect of this technology refers to the use of two optical frequency combs working together. This approach enables rapid, precise measurements of substances by analyzing how they interact with the light from both combs. This technique is much faster than a single comb and can provide more detailed information than many traditional spectroscopy methods.

    “Free-form” refers to the flexibility in highly precise frequency comb control that has recently become possible. The frequency combs emit light pulses that are just 100 femtoseconds in duration. Inside each of these brief light bursts, there’s an electric field that vibrates extremely rapidly, millions of millions of times per second. The ability to quickly and accurately control this fast light allows researchers to improve and adjust how they take measurements.

    Dual-Comb’s Next Big Leap

    As the world grapples with environmental challenges and the need for improved safety measures, this innovative laser technology offers a promising new tool. By enabling smarter detection of gases and other substances, it could play a crucial role in protecting both public health and the environment in the years to come.

    The researchers plan to continue improving their system in the laboratory, making it even faster and adapting their approach to work with a wide range of laser wavelengths.

    “The flexibility of our system means it could be adapted for a wide range of applications,” said NIST researcher Esther Baumann. “In the future, we might see more versatile and efficient sensors based on this technology in everything from air quality monitors to food safety detectors to studying how materials burn or assessing muscle health noninvasively.”

  • Laser sensors
  • Greenhouse gases
  • GHG emissions
  • Carbon dioxide
  • Methane
  • Gas detection
  • High sensitivity
  • Environmental monitoring
  • Air pollution
  • Climate monitoring
  • Carbon footprint
  • Sustainability solutions
  • Green technology
  • Environmental tech
  • Climate action
  • Emissions control

    • #LaserTechnology
    #GreenhouseGasMonitoring
    #ClimateTech
    #EnvironmentalScience
    #TechForGood
    #LaserSensors
    #GHGEmissions
    #SustainabilityTech
    #ClimateAction
    #SmartSensors
    #GreenTech
    #AirQualityMonitoring
    #CarbonFootprint
    #ScienceInnovation
    #ClimateChangeSolutions

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    Wednesday, October 9, 2024

     


    Analytical chemistry focuses on identifying, quantifying, and characterizing matter through various techniques.




    Analytical chemistry focuses on identifying, quantifying, and characterizing matter through various techniques. It's a vital field in many industries, including pharmaceuticals, environmental monitoring, food safety, and forensic science.

    Key methods in analytical chemistry include:

    1. Spectroscopy (e.g., UV-Vis, IR, NMR): Used to analyze how compounds interact with light or electromagnetic radiation, revealing structural and compositional information.

    2. Chromatography (e.g., HPLC, GC): Separates complex mixtures into their components for easier identification and quantification.

    3. Mass Spectrometry (MS): Measures the mass-to-charge ratio of ions, which helps identify and quantify compounds, often coupled with chromatography for enhanced analysis.

    4. Electrochemical Methods: Techniques like potentiometry and voltammetry measure electrical properties to determine concentrations of analytes.

    Recent advancements in analytical chemistry include:

    • AI integration for rapid data analysis and chemical identification, as seen in projects like the AI tool for analyzing classical paintings​.

    • New synthetic pathways, such as light-driven oxygen-nitrogen substitutions in molecules​.

    • Sustainability-focused innovations in materials and energy storage, like better-performing polymers and catalysts for clean energy processes​.

    Recent developments in analytical chemistry reflect several exciting trends and innovations:

    1. Portable Analytical Tools: Advances in miniaturization and MEMS (Microelectromechanical Systems) technology are making portable analytical devices more accessible. This includes pocket-sized Raman spectrometers used for quick identification of explosives, drugs, and contaminants in the field. Such devices are revolutionizing industries like food safety and environmental monitoring, enabling on-site, real-time testing​.

    2. Green Analytical Chemistry: There’s a growing emphasis on sustainability, with "green" methods reducing the use of hazardous chemicals and focusing on recycling and reducing waste. This includes the use of more eco-friendly solvents and smaller sample sizes to minimize environmental impact​.

    3. High-Throughput and Advanced Techniques: Techniques like Ultra-Performance Liquid Chromatography (UPLC) offer faster and more precise results compared to older methods like HPLC. This is especially beneficial in fields such as pharmaceuticals. In addition, "hyphenated techniques" like GCxGC-MS and LCxLC-MS combine multiple methodologies to offer more detailed and efficient analysis​.

    4. Mass Spectrometry Innovations: Mass spectrometry (MS) continues to evolve, with new developments in tandem MS/MS and the increased use of high-sensitivity instruments like triple quadrupole mass spectrometers (QqQ MS). These advancements improve selectivity and sensitivity, making them crucial for detecting trace compounds in complex matrices​.

    5. Nanotechnology and Microfluidics: Research in bioanalytical chemistry is exploring microfluidic biosensors and nanomaterial applications for detecting pathogens and biomarkers in clinical and environmental samples. This has significant implications for disease diagnostics and environmental monitoring​.


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    Welcome to the International Analytical Chemistry Awards - International Analytical Chemistry Awards, a premier event in the realm of International Analytical Chemistry Awards. Here's what you need to know about this exciting Award :

    • Theme: The theme for International Analytical Chemistry Awards is "Sustainable International Analytical Chemistry Awards for a Connected Future."
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    Monday, October 7, 2024

     Efficient way to hydrogenate nitrogen-containing aromatic compounds developed




    Successful reduction of the chemical manufacturing industry's environmental impact relies on finding a greener way to make the chemical building blocks for common and massively consumed compounds.

    It's no secret that manufacturing processes have some of the most impactful and intense effects on the environment, with the chemical manufacturing industry topping the charts for both  and emissions output. While this makes sense thanks to the grand scale on which manufactured chemicals are involved in daily life, it still leaves a lot to be desired for sustainability's sake.

    By focusing on  and alternative methods for creating the  of some of the most commonly used compounds, researchers hope to reduce the chemical manufacturing industry's footprint with some green innovation.

    Researchers published their results in the Journal of the American Chemical Society on October 7.

    The main focus of this study is cyclic amines, as these are the most important building blocks for fine chemicals. These compounds are arranged in a ring and, in this case, have a . One of the stars of the show is pyridine, which gives way to piperidine, a cyclic amine that is of key importance in the fine chemical industry.

    Piperidine, for example, provides the framework for many materials such as FDA-approved drugs, pesticides and everyday materials used in many people's lives.

    Typical methods of adding hydrogen to a nitrogen-containing cyclic amine involve using hydrogen gas as a proton and electron source. The hydrogenation process relies on hydrogen obtained through the steam reforming of methane, a major greenhouse gas.

    Not only is this method energy-intensive, but it is also responsible for around 3% of the global carbon dioxide emissions. This process is also highly dependent on  and takes a great amount of energy. Fortunately, researchers have found a way around this by developing an anion-exchange membrane (AEM) electrolyzer.

    An AEM electrolyzer allows for the hydrogenation of different kinds of pyridines at  and pressure, without having to use acidic additives like in traditional methods. The electrolyzer works to split water into its components, atomic hydrogen and oxygen. The atomic hydrogen obtained is then added to the cyclic compound.

    The AEM electrolyzer also demonstrates great versatility with other nitrogen-containing aromatics, making it a promising path for a wide set of applications. Additionally, by developing a method that can be used at ambient temperatures and pressures, the electrical energy needed for the process is dramatically decreased.

    "The method offers significant potential for industrial-scale applications in pharmaceuticals and fine chemicals, contributing to the reduction of carbon emissions and advancing sustainable chemistry," said Naoki Shida, first author of the study and researcher at Yokohama National University.

    This process uses water and  as an energy source, contrasting with the reliance on fossil fuels for the conventional method. Efficiency has not been compromised by this method and the percent yield on a large scale is 78%, further affirming this technology can be reasonably scalable.

    One issue that might be encountered is an increase in cell voltage during the electrolysis process, but this can be mitigated through either improved AEM or, preferably, designing an AEM with organic electrosynthesis specifically in mind.

    For the electrocatalytic hydrogenation technology to catch on and make a difference, it needs to be scalable to an industrial scale for pharmaceutical and fine chemical companies to use it. The more this technology is used, the easier it is to transition it to being used for other nitrogen-containing , further expressing the practicality of the electrocatalytic hydrogenation process.

    Ideally, this method would establish itself as the alternative to traditional methods used in the chemical industry and down the line would reduce the overall carbon footprint chemical manufacturing leaves behind.

    About Us

    Award Information - International Analytical Chemistry Awards

    Welcome to the International Analytical Chemistry Awards - International Analytical Chemistry Awards, a premier event in the realm of International Analytical Chemistry Awards. Here's what you need to know about this exciting Award :

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    • Hybrid Event: International Analytical Chemistry Awards is an innovative hybrid event, offering two dynamic ways to participate.
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    Catalyst Magic: Game-Changing Method for Alkane Activation Discovered in Japan

    Catalyst Magic: Game-Changing Method for Alkane Activation Discovered in Japan Researchers have developed a novel method to activate alkanes...

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