A5020269992- Photosynthetic Processes and Mechanisms
- Spectroscopy and Quantum Chemical Studies
- Photoreceptor and optogenetics research
- Enzyme Structure and Function
- Antioxidant Activity and Oxidative Stress
- Protein Structure and Dynamics
- Plant and animal studies
- RNA and protein synthesis mechanisms
- Algal biology and biofuel production
- Microbial Metabolic Engineering and Bioproduction
- Genetics, Bioinformatics, and Biomedical Research
- Luminescence and Fluorescent Materials
- Plant biochemistry and biosynthesis
- Supramolecular Self-Assembly in Materials
- Bacteriophages and microbial interactions
- Hydrocarbon exploration and reservoir analysis
- Healthcare innovation and challenges
- Metabolomics and Mass Spectrometry Studies
- Bacterial Genetics and Biotechnology
- Global Energy and Sustainability Research
- Biotin and Related Studies
University of Sheffield
2018-2024
Deep-learning methods have revolutionized protein structure prediction and design but are presently limited to protein-only systems. We describe RoseTTAFold All-Atom (RFAA), which combines a residue-based representation of amino acids DNA bases with an atomic all other groups model assemblies that contain proteins, nucleic acids, small molecules, metals, covalent modifications, given their sequences chemical structures. By fine-tuning on denoising tasks, we developed RFdiffusion...
Abstract Although AlphaFold2 (AF2) and RoseTTAFold (RF) have transformed structural biology by enabling high-accuracy protein structure modeling, they are unable to model covalent modifications or interactions with small molecules other non-protein that can play key roles in biological function. Here, we describe All-Atom (RFAA), a deep network capable of modeling full assemblies containing proteins, nucleic acids, molecules, metals, given the sequences polymers atomic bonded geometry...
Abstract Natural photosystems couple light harvesting to charge separation using a ‘special pair’ of chlorophyll molecules that accepts excitation energy from the antenna and initiates an electron-transfer cascade. To investigate photophysics special pairs independently complexities native photosynthetic proteins, as first step toward creating synthetic for new conversion technologies, we designed C 2 -symmetric proteins hold two in closely juxtaposed arrangements. X-ray crystallography...
Singlet exciton fission is the spin-allowed generation of two triplet electronic excited states from a singlet state. Intramolecular has been suggested to occur on individual carotenoid molecules within protein complexes provided that conjugated backbone twisted out plane. However, this hypothesis forwarded only in containing multiple carotenoids and bacteriochlorophylls close contact. To test "minimal" one-carotenoid system, we study orange (OCP). OCP exists forms: its form (OCPo), single...
Carotenoids are crucial photosynthetic pigments utilized for light harvesting, energy transfer, and photoprotection. Although most of the enzymes involved in carotenoid biosynthesis chlorophototrophs known, some yet to be identified or fully characterized certain organisms. A recently enzyme oxygenic phototrophs is 15-cis-zeta(ζ)-carotene isomerase (Z-ISO), which catalyzes cis-to-trans isomerization central 15-15' cis double bond 9,15,9'-tri-cis-ζ-carotene produce 9,9'-di-cis-ζ-carotene...
Advances in protein design and engineering have yielded peptide assemblies with enhanced non-native functionalities. Here, various molecular organic semiconductors (OSCs), known excitonic up- down-conversion properties, are attached to a de novo-designed protein, conferring entirely novel functions on the scaffolds. The protein-OSC complexes form similarly sized, stable, water-soluble nanoparticles that robust cryogenic freezing processing into solid-state. matrix enables formation of...
The orange carotenoid protein (OCP) is the water-soluble mediator of non-photochemical quenching in cyanobacteria, a crucial photoprotective mechanism response to excess illumination. OCP converts from globular, inactive state (OCPo) an extended, active conformation (OCPr) under high-light conditions, resulting concomitant redshift absorption bound carotenoid. Here, was trapped either or by fixing each trehalose-sucrose glass. Glass-encapsulated OCPo did not convert intense illumination and...
Singlet fission (SF), the spin-allowed conversion of one singlet exciton into two triplet excitons, offers a promising strategy for enhancing efficiency photovoltaic devices. However, realising this potential necessitates materials capable ultrafast (sub-picosecond) SF and generation long-lived (> microsecond) synthetic challenge. Some photosynthetic organisms have evolved sophisticated molecular architectures that demonstrate these criteria, but despite 40 years study, underlying mechanisms...
The nature of the low-lying electronic states in carotenoids has been debated for decades. We use excitation-dependent transient absorption spectroscopy and comparison with published results on \b{eta}-carotene to demonstrate that so-called S* feature astaxanthin, echinenone spheroidenone spectra is due an impurity sample. Excitation at band-edge a spectrum dominated by pure S1 photo-induced absorption, no contribution from impurities (S*). find this resembles triplet excited-state spectrum,...
<title>Abstract</title> Natural photosystems couple light harvesting to charge separation using a “special pair” of chlorophyll molecules that accepts excitation energy from the antenna and initiates an electron-transfer cascade. To investigate photophysics special pairs independent complexities native photosynthetic proteins, as first step towards synthetic for new conversion technologies, we designed C<sub>2</sub>-symmetric proteins precisely position dimers. X-ray crystallography shows...
Singlet exciton fission is the spin-allowed generation of two triplet electronic excited states from a singlet state. Intramolecular has been suggested to occur on individual carotenoid molecules within protein complexes, provided conjugated backbone twisted out-of-plane. However, this hypothesis only forwarded in complexes containing multiple carotenoids and bacteriochlorophylls close contact. To test 'minimal' one-carotenoid system, we study orange (OCP). OCP exists forms: its form (OCPo),...