PHD
  1. Inorganic chemistry  1.1. Coordination chemistry  1.1.1. Ligand field theory  1.1.2. Crystal field theory  1.1.3. Molecular Orbital Theory for Coordination Compounds  1.1.4. Stability of Coordination Compounds  1.1.5. Electronic spectra of coordination compounds  1.1.6. Isomerism in Coordination Compounds  1.1.7. Kinetics and mechanism of coordination reactions  1.2. Organometallic Chemistry  1.2.1. Metal Carbonyls  1.2.2. Metal alkyl and aryl  1.2.3. Fischer and Schrock carbonaceans  1.2.4. Oxidative Addition and Reductive Elimination  1.2.5. Metal Hydrides  1.2.6. Catalysis by organometallic compounds  1.2.7. Metallocenes and Sandwich Complexes  1.2.8. CH activation  1.3. Solid state chemistry  1.3.1. Crystal structures and lattices  1.3.2. Band theory and electrical properties  1.3.3. Defects in the crystal  1.3.4. Synthesis of solid state materials  1.3.5. Magnetic and optical properties of solids  1.3.6. Superconductivity  1.3.7. Solid state ionics  1.4. Bio-inorganic chemistry  1.4.1. Metalloproteins and enzymes  1.4.2. Metal ion transport and storage  1.4.3. The role of metals in medicine  1.4.4. Bioinspired catalysis  1.4.5. Metal–DNA interactions  1.4.6. Metal Complexes in Medical Science  1.5. Lanthanides and Actinides  1.5.1. Electronic configuration and oxidation states in lanthanides and actinides  1.5.2. Spectral and Magnetic Properties in Lanthanides and Actinides  1.5.3. Separation and Extraction of Lanthanides and Actinides  1.5.4. Coordination chemistry of f-block elements  1.6. Main Group Chemistry  1.6.1. Chemistry of boron compounds  1.6.2. Chemistry of Silicon and Germanium Compounds  1.6.3. Chemistry of Phosphorus and Sulfur Compounds  1.6.4. Organosilicon chemistry  1.6.5. Noble Gas Chemistry
  2. Organic chemistry  2.1. Reaction mechanism  2.1.1. Nucleophilic substitution reactions  2.1.2. Electrophilic addition and substitution reactions  2.1.3. Elimination reactions  2.1.4. Rearrangement reactions  2.1.5. Radical reactions  2.1.6. Pericyclic Reactions  2.1.7. Photochemical reactions  2.2. Stereoscopic  2.2.1. Chirality and optical activity  2.2.2. Structural analysis  2.2.3. Stereoelectronic effects  2.2.4. Asymmetric synthesis  2.2.5. Dynamic Stereochemistry  2.3. Organometallic Chemistry in Organic Synthesis  2.3.1. Organolithium and organomagnesium reagents  2.3.2. Transition metal catalyzed coupling reactions  2.3.3. Palladium-catalyzed reactions  2.3.4. Olefin Metathesis  2.3.5. Gold and silver catalysis  2.4. Natural products chemistry  2.4.1. Alkaloids and terpenoids  2.4.2. Steroids and Flavonoids  2.4.3. Total synthesis of natural products  2.4.4. Biosynthesis of natural products  2.5. Supramolecular Chemistry  2.5.1. Host-Guest Chemistry  2.5.2. Self-assembly and molecular recognition  2.5.3. Supramolecular Catalysis  2.5.4. Molecular Machines
  3. Physical Chemistry  3.1. Thermodynamics  3.1.1. Laws of Thermodynamics  3.1.2. Chemical Potential and Equilibrium  3.1.3. Statistical thermodynamics  3.1.4. Non-equilibrium thermodynamics  3.2. Quantum Chemistry  3.2.1. Schrödinger equation and its applications  3.2.2. Molecular orbital theory  3.2.3. Density functional theory  3.2.4. Post-Hartree–Fock methods  3.3. Chemical kinetics  3.3.1. Reaction rate theory  3.3.2. Mechanism and rate laws  3.3.3. Catalysis and enzyme kinetics  3.3.4. Reaction dynamics  3.4. Spectroscopy and molecular structure  3.4.1. Infrared Spectroscopy  3.4.2. UV-visible spectroscopy  3.4.3. Nuclear Magnetic Resonance Spectroscopy  3.4.4. Mass Spectrometry  3.4.5. Raman Spectroscopy  3.5. Surface and Colloid Chemistry  3.5.1. Absorption and Catalysis  3.5.2. Surfactants and micelles  3.5.3. Colloidal Stability  3.5.4. Nanomaterials and Interfaces
  4. Analytical chemistry  4.1. Chromatography  4.1.1. Gas Chromatography  4.1.2. High Performance Liquid Chromatography  4.1.3. Thin Layer Chromatography  4.1.4. Ion Chromatography  4.2. Electroanalytical techniques  4.2.1. Voltammetry and Polarography  4.2.2. Conductometry and potentiometry  4.2.3. Colometry  4.3. Spectroscopic Methods  4.3.1. Atomic absorption spectroscopy  4.3.2. Fluorescence Spectroscopy  4.3.3. X-ray diffraction  4.3.4. Electron paramagnetic resonance spectroscopy  4.4. Chemometrics  4.4.1. Data processing and statistical methods  4.4.2. Multidisciplinary analysis  4.4.3. Machine Learning in Analytical Chemistry
  5. Theoretical and Computational Chemistry  5.1. Molecular dynamics simulation  5.2. Quantum chemistry methods  5.3. Computational drug design  5.4. Machine Learning in Chemistry  5.5. Ab initio molecular dynamics
  6. Biophysics and Medicinal Chemistry  6.1. Drug discovery and design  6.2. Enzyme kinetics and inhibition  6.3. Chemical biology approach  6.4. Protein-ligand interactions  6.5. Bioorthogonal chemistry
  7. Materials chemistry  7.1. Polymer chemistry  7.1.1. Polymerization mechanism  7.1.2. Functional Polymers  7.1.3. Biodegradable Polymer  7.1.4. Conducting and semiconducting polymers  7.2. Nano Chemistry  7.2.1. Nanoparticles and nanostructures  7.2.2. Carbon-based nanomaterials  7.2.3. Quantum dots  7.3. Energy and Environmental Chemistry  7.3.1. Battery and Fuel Cell Chemistry  7.3.2. Green chemistry and sustainable materials  7.3.3. Photocatalysis

PHD → Inorganic chemistry → Bio-inorganic chemistry ↓


Bioinspired catalysis


Bioinspired catalysis refers to the design and development of catalysts that mimic the functions of natural enzymes and catalytic processes. These catalysts draw inspiration from biological systems, which are often highly efficient and selective in facilitating chemical reactions under mild conditions. Bioinspired catalysis is a fascinating field within bioinorganic chemistry and inorganic chemistry, where researchers attempt to create innovative catalysts by understanding and mimicking the principles of natural processes.

Chemical catalyst vs biological catalyst

Chemical catalysts, usually inorganic catalysts, are used in a wide range of industrial processes. They often require harsh conditions such as high temperature and pressure to work effectively. In contrast, biological catalysts, known as enzymes, work under mild conditions (ambient temperature and pressure) and exhibit remarkable selectivity and efficiency.

A major advantage of enzymes is their ability to catalyze reactions for specific substrates, thus providing a level of selectivity that is often challenging to achieve with synthetic inorganic catalysts. For example, the enzyme carbonic anhydrase can help rapidly convert carbon dioxide and water into bicarbonate and protons:

    CO 2 + H 2 O ⇌ HCO 3 - + H +

Example: enzyme structure

active site Protein backbone

Enzymes such as carbonic anhydrase contain active sites, usually metal ions such as Zn 2+, that are crucial for their catalytic activity. The environment around the active site in the enzyme ensures selectivity and efficiency, which are key features inspiring bioinspired catalysts.

Mimicking nature: Principles of bioinspired catalysis

Researchers use bio-inspired catalysts to harness enzyme-like features. This includes mimicking the properties of enzymes such as:

  • High reaction rates: Achieving rapid reaction rates similar to enzymes.
  • High turnover number: The ability of enzymes to catalyze multiple cycles without degradation.
  • Substrate specificity: designing catalysts that selectively target the desired substrate.
  • Operating under mild conditions: Performing chemical reactions at room temperature and atmospheric pressure.

Example: hemoglobin and oxygen binding

Hem Group Oxygen bonding

Consider hemoglobin, a protein that contains heme groups that are able to reversibly bind oxygen. The structure of hemoglobin provides a microenvironment that favors the binding and release of oxygen under a variety of physiological conditions. Similarly, bioinspired catalysts aim to replicate such environmental effects around the active site of the catalyst.

Design strategies in bioinspired catalysts

The design of bioinspired catalysts often involves several strategies:

1. Mimicking metalloenzymes

Metalloenzymes use metal ions at their active centers for catalytic activity. To design bioinspired catalysts, scientists identify the key metal ions and their coordination environments in natural systems. For example, in nitrogenase, which facilitates nitrogen fixation, the catalytic activity depends on a group of metal ions, the MoFe-cofactor.

2. Use of cofactors

Enzymes often include cofactors, which are non-protein chemical compounds or metal ions essential for enzymatic activity. Bio-inspired catalysts attempt to replicate the function and structure of these cofactors. For example, vitamin B12 cofactors featuring cobalt ions inspired the development of catalysts for radical reactions.

Example: coenzyme B12

Cobalt ions Organic ligand structure

Coenzyme B12 contains a cobalt ion in the corrin ring, which enables radical-mediated reactions. This principle is applied in the creation of synthetic analogs with radical processing capabilities for industrial use.

3. Molecular systems with enzyme-like pockets

Chemists build molecular systems with pockets that mimic the active sites of enzymes. These pockets provide a controlled environment that facilitates selective and efficient catalysis. Such designs often involve fine-tuned host-guest interactions to bring the reactants into the optimal orientation.

Example: Cyclodextrins

Catalyst Pocket

Cyclodextrins are cyclic oligosaccharides that form cup-like structures, providing hydrophobic cavities suitable for hosting guest molecules. This feature is used to design new catalysts that function similar to enzymes.

Applications of bioinspired catalysts

Bio-inspired catalysis is promising for various applications in different fields. Below are some of the major areas where this field has shown significant impact:

1. Environmental improvement

Bioinspired catalysts can be used in environmental applications such as pollution degradation and water treatment. They offer a greener approach to catalysis, reducing the need for harsh chemicals and extreme conditions.

2. Energy conversion

Scientists are exploring bioinspired catalysts in energy conversion processes, such as artificial photosynthesis, which converts sunlight into chemical energy. Catalysts that mimic the natural process of splitting water into hydrogen and oxygen are being developed.

3. Organic synthesis

In pharmaceuticals and fine chemicals, bioinspired catalysts are used to carry out complex organic transformations that require precision and selectivity. Catalytic principles derived from enzymes guide the synthesis of complex molecular structures.

Challenges in bioinspired catalysis

Despite the potential of bioinspired catalysts, several challenges remain in this field:

  • Scalability: Scaling bioinspired catalysts from the laboratory to industrial applications can be challenging.
  • Stability: Maintaining the stability of these catalysts under industrial process conditions is essential for practical use.
  • Complexity: Designing and synthesizing complex bioinspired catalysts requires advanced technology and expertise.
  • Cost: The production cost of sophisticated bioinspired catalysts is high, posing economic challenges.

Conclusion

The field of bioinspired catalysis is a vibrant area of research that bridges the gap between biology and inorganic chemistry. By studying and simulating natural systems, chemists aim to develop catalysts that provide the selectivity and efficiency of biological catalysts with the robustness and versatility of synthetic inorganic catalysts. Continued progress in this field has the potential to revolutionise industrial processes, environmental strategies, and energy solutions, making them more sustainable and environmentally friendly.


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Bioinspired catalysis

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