Article
Chemistry, Inorganic & Nuclear
Muhamed Amin, Divya Kaur, M. R. Gunner, Gary Brudvig
Summary: Understanding the water oxidation mechanism in Photosystem II can stimulate the design of biomimetic artificial systems for efficient conversion of solar energy into hydrogen fuel. The activity of Sr2+-substituted PSII is higher but slower compared to native Ca2+-containing PSII as an oxygen evolving catalyst. DFT calculations show that deprotonation of water bound to Ca2+ is more energetically favorable for the S-2 to S-3 transition than for Sr2+. Additionally, calculations reveal a higher pK(a) in the Mn4O5Sr2+ cluster compared to Mn4O5Ca2+ by 4 pH units.
INORGANIC CHEMISTRY COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Jiao Li, Haoran Liang, Yuanbiao Li, Jiao Shi
Summary: Researchers have developed a semi-artificial photoanode system by modifying the surface of a conducting electrode with photosystem II (PSII). This system shows significantly improved photocurrent response and stable electron transfer capabilities. The enhancement is attributed to the modified electrode surface and the three-dimensional microstructure of a V2O5/TiO2 composite, which promote protein immobilization and facilitate cascaded electron transfer. This work could pave the way for advanced solar energy conversion systems utilizing photoactive PSII combined with artificial metal oxides and other semiconductor nanomaterials.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Plant Sciences
Jure Zabret, Stefan Bohn, Sandra K. Schuller, Oliver Arnolds, Madeline Moller, Jakob Meier-Credo, Pasqual Liauw, Aaron Chan, Emad Tajkhorshid, Julian D. Langer, Raphael Stoll, Anja Krieger-Liszkay, Benjamin D. Engel, Till Rudack, Jan M. Schuller, Marc M. Nowaczyk
Summary: Auxiliary proteins play a crucial role in assisting the assembly of photosystems, as shown by the structure of a PSII assembly intermediate resolved by cryo-electron microscopy. This structure reveals mechanisms that protect against photodamage during vulnerable stages of biogenesis and prepare the active site for the unique water-splitting reaction catalyzed by the Mn4CaO5 cluster.
Review
Multidisciplinary Sciences
Mingjun Xuan, Junbai Li
Summary: Photosystem II (PSII) is a fascinating enzyme involved in photosynthesis that can be coupled with synthetic structures through biomimetic assembly to mimic natural processes. This approach helps gather functions and properties from synthetic materials, inspiring semi-biohybrid research and optimization of artificial light-harvest micro/nanodevices. The combination of PSII with artificial structures offers opportunities for developing biomimetic semi-natural devices and unlocking the secrets of energy conversion in natural photosynthesis.
NATIONAL SCIENCE REVIEW
(2021)
Review
Biochemistry & Molecular Biology
Vinicius Martins de Oliveira, Ruibin Liu, Jana Shen
Summary: This review discusses the development and applications of proton-coupled molecular dynamics simulation methods. These methods provide a better understanding of the relationship between protein structure and function.
CURRENT OPINION IN STRUCTURAL BIOLOGY
(2022)
Article
Plant Sciences
Michela Cecchin, Jooyeon Jeong, Woojae Son, Minjae Kim, Seunghye Park, Luca Zuliani, Stefano Cazzaniga, Andrea Pompa, Chan Young Kang, Sangsu Bae, Matteo Ballottari, EonSeon Jin
Summary: This study generated lpa2 knockout mutants in Chlamydomonas reinhardtii using the CRISPR-Cas9 system and found that the absence of LPA2 protein resulted in impaired PSII assembly and function, leading to compromised photoautotrophic growth.
Review
Chemistry, Physical
Hanxi Li, Feifan Lang, Ming Liu, Xinghao Zhang, Di Yang, Jijie Zhang, Xian-He Bu
Summary: This review discusses recent advances in the design of artificial electrocatalysts inspired by the oxygen-evolving center of natural photosystem II. The structure of the catalytic core [Mn4O5Ca] is instructive for the engineering of mono-/multicluster metal structures, and the protein environment around the oxygen generation centers provides insight for the selection of artificial catalyst ligands.
Article
Chemistry, Multidisciplinary
Dong Yang, Jianlei Han, Yutao Sang, Tonghan Zhao, Minghua Liu, Pengfei Duan
Summary: This study presents an enantioselective assembly process that controls energy transfer and triplet-triplet annihilation upconversion (TTA-UC), highlighting the potential applications in optoelectronic materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Multidisciplinary Sciences
Shiun-Jr Yang, Eric A. Arsenault, Kaydren Orcutt, Masakazu Iwai, Yusuke Yoneda, Graham R. Fleming
Summary: This study used 2DEV spectroscopy to analyze the spinach PSII-CC, revealing details about its dynamics and energy transfer. The study found that the dominant dynamics of the PSII-CC vary in different excitation energy regions. By separating these regions and identifying the roles of key pigments, a better understanding of the working mechanism of photosystem II can be obtained.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Multidisciplinary
Tumpa Gorai, June Lovitt, Deivasigamani Umadevi, Gavin McManus, Thorfinnur Gunnlaugsson
Summary: The generation of green luminescent microspheres from the charge transfer interaction induced co-assembly is studied in this work. The properties of these microspheres are analyzed and an energy transfer process is observed, leading to the formation of a light-harvesting tri-component self-assembly.
Article
Biochemistry & Molecular Biology
Divya Kaur, Yingying Zhang, Krystle M. Reiss, Manoj Mandal, Gary W. Brudvig, Victor S. Batista, M. R. Gunner
Summary: Photosystem II uses water as the primary electron source for photosynthesis, with water-filled channels playing a crucial role in bringing in and transporting water molecules. Analysis shows that the water chain in the broad channel is better connected, facilitating proton translocation. However, the specific roles of each pathway in the oxidation and reduction processes still need further investigation.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
(2021)
Article
Chemistry, Physical
Yuji Okuyama, Keita Kasuga, Masaki Shimomura, Yuichi Mikami, Kosuke Yamauchi, Tomohiro Kuroha, Hirofumi Sumi
Summary: This study investigates the elementary reactions occurring within the electrode impedance of proton-conducting ceramic fuel cells. By observing the change in components when the gas on the anode was switched from light hydrogen to heavy hydrogen during the power generation and shutdown phases of the fuel cell, impedance components attributable to the steam production reaction were identified.
JOURNAL OF POWER SOURCES
(2023)
Article
Chemistry, Multidisciplinary
Xiu-Wen Kang, Zijing Chen, Zhongneng Zhou, Yalin Zhou, Siwei Tang, Yifei Zhang, Tianyi Zhang, Bei Ding, Dongping Zhong
Summary: We present the direct observation of ultrafast proton rocking in the central motif of a BLUF domain protein scaffold. By mutant design, the proton-coupled electron transfer driving forces were modulated to remove the interference of a competing electron transfer pathway. Through femtosecond pump-probe spectroscopy and detailed kinetics analysis, we resolved an electron-transfer-coupled Grotthuss-type forward and reverse proton rocking along the FMN-Gln-Trp proton relay chain.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Biochemistry & Molecular Biology
Jana Knoppova, Jianfeng Yu, Jan Janouskovec, Petr Halada, Peter J. Nixon, Julian P. Whitelegge, Josef Komenda
Summary: Photochemical energy conversion in oxygenic photosynthesis relies on membrane-embedded chlorophyll-binding protein complexes, which are regulated by lipoproteins such as Ycf48. Ycf48, a lipoprotein assembly factor in cyanobacteria, plays a crucial role in the biogenesis and function of the photosystem II complex. The unique lipobox sequence in Ycf48 distinguishes it from canonical lipobox sequences and highlights its importance in cyanobacterial PSII assembly.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Multidisciplinary
Ming Liu, Na Li, Xuemin Wang, Jia Zhao, Di-Chang Zhong, Wei Li, Xian-He Bu
Summary: To improve the catalytic efficiency of the electrocatalytic oxygen evolution reaction (OER), proton transfer acceleration and kinetic mechanism elucidation are necessary. In this study, a series of OER electrocatalysts with FeO6/NiO6 units and carboxylate anions (TA(2-)) were developed, inspired by photosystem II. The optimized catalyst showed superior activity with low overpotential and excellent cycling stability, attributed to the synergistic effect of the metal units and TA(2-). A proton-transfer-promotion mechanism was proposed, which involved preferential proton acceptance by TA(2-) to optimize the O-H adsorption/activation process and reduce the kinetic barrier for O-O bond formation.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Biochemistry & Molecular Biology
Nasir Ahmad, Syed Lal Badshah, Muhammad Junaid, Ashfaq Ur Rehman, Akhtar Muhammad, Khalid Khan
Summary: The study utilized newly isolated flavonoid analogs to dock against the NS1 protein, showing favorable binding energies and validated the docking data through simulations. The results indicated that these flavonoid analogs can inhibit the hexamerization of NS1, thereby preventing Zika virus replication.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Biochemistry & Molecular Biology
Syed Lal Badshah, Anila Riaz, Akhtar Muhammad, Gulsen Tel Cayan, Fatih Cayan, Mehmet Emin Duru, Nasir Ahmad, Abdul-Hamid Emwas, Mariusz Jaremko
Summary: This study isolated polysaccharopeptides and polysaccharides from an edible mushroom in northern Pakistan, showing moderate free radical scavenging activity and potential for treating Alzheimer's and Parkinson's diseases. Further bioassays are needed to fully explore the medicinal potential of these polysaccharides.
Article
Biochemistry & Molecular Biology
Fareena Shahid, Noreen, Roshan Ali, Syed Lal Badshah, Syed Babar Jamal, Riaz Ullah, Ahmed Bari, Hafiz Majid Mahmood, Muhammad Sohaib, Siddique Akber Ansari
Summary: The study investigated the potential of Epigallocatechin-3-gallate from green tea as an inhibitor for HCV, utilizing in silico techniques to search for other potential inhibitors. Through molecular modeling and virtual screening methods, a compound was identified as a promising future drug candidate for HCV.
Article
Biochemistry & Molecular Biology
Christopher J. Gisriel, Gaozhong Shen, Ming-Yang Ho, Vasily Kurashov, David A. Flesher, Jimin Wang, William H. Armstrong, John H. Golbeck, Marilyn R. Gunner, David J. Vinyard, Richard J. Debus, Gary W. Brudvig, Donald A. Bryant
Summary: Far-red light photoacclimation expands the range of photosynthetically active radiation for terrestrial cyanobacteria, providing a growth advantage. This process modifies the structure of photosystem II and lowers the energy required for water oxidation.
JOURNAL OF BIOLOGICAL CHEMISTRY
(2022)
Article
Cell Biology
Syed Lal Badshah, Rabiya Jehan
Summary: This research investigated the electronic and spectral properties of nepetalactones and explored their potential in the development of new derivatives and mosquito repellents.
MOLECULAR AND CELLULAR BIOCHEMISTRY
(2022)
Article
Plant Sciences
Brandon P. Russell, David J. Vinyard
Summary: The study found that the first Mn2+ oxidation event in the assembly of the oxygen-evolving complex in Photosystem II requires chloride-facilitated deprotonation. This process is dependent on the presence of calcium at physiologically relevant pH values.
PHOTOSYNTHESIS RESEARCH
(2022)
Review
Pharmacology & Pharmacy
Manel Dhahri, Mawadda Alghrably, Hamdoon A. Mohammed, Syed Lal Badshah, Noreen Noreen, Fouzi Mouffouk, Saleh Rayyan, Kamal A. Qureshi, Danish Mahmood, Joanna Izabela Lachowicz, Mariusz Jaremko, Abdul-Hamid Emwas
Summary: Neurodegenerative diseases pose a significant public health burden globally, particularly among aging populations. Despite advances in understanding the underlying mechanisms, effective therapeutic strategies are lacking. Natural polysaccharides have shown neuroprotective and therapeutic effects, making them a potential avenue for prevention and treatment of neurodegenerative diseases.
Article
Biochemistry & Molecular Biology
Ayaz Ali Sher, Arshad Iqbal, Naveed Muhammad, Syed Lal Badshah, Abdul-Hamid Emwas, Mariusz Jaremko
Summary: Gas chromatography-mass spectrometry was used to analyze the chemical composition of ethyl acetate (EAC) and dichloromethane (DCMC) fractions from Chrozophora tinctoria. Both fractions exhibited acetylcholinesterase inhibitory activity and showed laxative effects. The EAC fraction also had a better relaxing effect on intestinal muscles.
Article
Energy & Fuels
Zahir Shah, Syed Lal Badshah, Jose Luiz Francisco Alves, Jean Constantino Gomes da Silva, Arshad Iqbal
Summary: The study on slow pyrolysis of Cladophora glomerata revealed three different stages, indicating the complexity of its biomass. Kinetic and thermodynamic evaluations showed that the pyrolysis of C. glomerata is an endothermic, non-spontaneous process but proceeds towards producing bioenergy.
BIOMASS CONVERSION AND BIOREFINERY
(2022)
Article
Energy & Fuels
Arshad Iqbal, Syed Lal Badshah, Jose Luiz Francisco Alves, Jean Constantino Gomes da Silva, Michele Di Domenico
Summary: This study investigates the physicochemical characteristics and pyrolysis performance of Sorghum halepense. The pyrolysis behavior of S. halepense is found to involve a two-step devolatilization process, with the first step following a three-dimensional diffusion-reaction model and the second step following a first-order reaction model. The estimated kinetic parameters indicate that S. halepense has considerable bioenergy potential as a feedstock for pyrolysis.
BIOMASS CONVERSION AND BIOREFINERY
(2022)
Article
Biochemistry & Molecular Biology
Arshad Iqbal, Ayaz Ali Sher, Naveed Muhammad, Syed Lal Badshah, Abdul-Hamid Emwas, Mariusz Jaremko
Summary: This study analyzed the methanolic extract and n-butanol fraction of Chrozophora tinctoria and found compounds with therapeutic activity. Both samples showed effects on intestinal movement and spasmolytic activity in the gastrointestinal tract. Additionally, they demonstrated significant laxative activity against constipation. The study scientifically validates the traditional use of Chrozophora tinctoria in managing gastrointestinal diseases.
Article
Biochemistry & Molecular Biology
Shah Faisal, Syed Lal Badshah, Bibi Kubra, Mohamed Sharaf, Abdul-Hamid Emwas, Mariusz Jaremko, Mohnad Abdalla
Summary: This study proposes allosteric inhibitors targeting SARS-CoV-2 MTase and evaluates their mechanism of action and stability through drug screening and molecular dynamics simulation. The research reveals stable molecular interactions between these inhibitors and the allosteric site of SARS-CoV-2 MTase, indicating good antiviral activity.
Article
Biochemistry & Molecular Biology
Bibi Kubra, Syed Lal Badshah, Shah Faisal, Mohamed Sharaf, Abdul-Hamid Emwas, Mariusz Jaremko, Mohnad Abdalla
Summary: Since 2019, the COVID-19 virus has caused a global pandemic and resulted in the deaths of millions of people worldwide. This study identified potential allosteric inhibitors of the SARS-CoV-2 main protease (Mpro) through computational methods. Docking and simulation experiments revealed four compounds that strongly bound to the predicted allosteric site of Mpro. These compounds exhibited continuous interaction with the enzyme's allosteric region throughout the simulation. Evaluation of their properties suggested that these compounds have therapeutic value. This research provides a new approach for developing novel allosteric inhibitors of SARS-CoV-2 Mpro.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Shah Faisal, Syed Lal Badshah, Mohamed Sharaf, Mohnad Abdalla
Summary: The Hantaan virus is a serious public health concern that causes hemorrhagic fever with renal syndrome. In this study, researchers targeted the RNA-dependent RNA polymerase complex of the virus for antiviral drug development. Through in-silico approaches, they identified potential inhibitors that can disrupt the enzymatic activity of the virus. The findings contribute to a better understanding of the Hantaan virus and related viruses.
MOLECULAR DIVERSITY
(2023)
Article
Plant Sciences
David J. Vinyard
Summary: Unlike laboratory conditions, real environments have dynamic light intensity. Researchers have developed a simple and affordable system that uses a commercial dimmable LED panel to simulate a sinusoidal function representing daylight hours and includes stochastic shading events. The system closely replicates light intensity measurements on Earth's surface during partly cloudy days or in lower levels of plant canopies. This tool may be valuable for researchers studying photosynthetic acclimation responses.
PHOTOSYNTHESIS RESEARCH
(2023)