Now showing items 1-20 of 654

    • The chemical suitability for recycling of zinc contaminated steelmaking by-product dusts: The case of the UK steel plant 

      Stewart, Daniel J. C.; Scrimshire, Alex; Thomson, David; Bingham, Paul A.; Barron, Andrew R. (2022)
      Basic oxygen steelmaking (BOS) dust and blast furnace (BF) dust from former and operating steelmaking facilities in the United Kingdom have been characterized by MP-AES, SEM-EDX, particle size analysis, TGA-DSC, combustion analysis, 57Fe Mössbauer spectroscopy, and powder XRD. These materials are a potentially valuable source of Fe for ironmaking, ...
    • The Structure of the Arabidopsis PEX4-PEX22 Peroxin Complex—Insights Into Ubiquitination at the Peroxisomal Membrane 

      Traver, Melissa S.; Bradford, Sarah E.; Olmos, Jose Luis; Wright, Zachary J.; Miller, Mitchell D.; (2022)
      Peroxisomes are eukaryotic organelles that sequester critical oxidative reactions and process the resulting reactive oxygen species into less toxic byproducts. Peroxisome function and formation are coordinated by peroxins (PEX proteins) that guide peroxisome biogenesis and division and shuttle proteins into the lumen and membrane of the organelle. ...
    • DNA supercoiling-mediated collective behavior of co-transcribing RNA polymerases 

      Tripathi, Shubham; Brahmachari, Sumitabha; Onuchic, José N; Levine, Herbert; Center for Theoretical Biological Physics (2022)
      Multiple RNA polymerases (RNAPs) transcribing a gene have been known to exhibit collective group behavior, causing the transcription elongation rate to increase with the rate of transcription initiation. Such behavior has long been believed to be driven by a physical interaction or ‘push’ between closely spaced RNAPs. However, recent studies have ...
    • DLPacker: Deep learning for prediction of amino acid side chain conformations in proteins 

      Misiura, Mikita; Shroff, Raghav; Thyer, Ross; Kolomeisky, Anatoly B.; Center for Theoretical Biological Physics (2022)
      Prediction of side chain conformations of amino acids in proteins (also termed “packing”) is an important and challenging part of protein structure prediction with many interesting applications in protein design. A variety of methods for packing have been developed but more accurate ones are still needed. Machine learning (ML) methods have recently ...
    • Can we understand the mechanisms of tumor formation by analyzing dynamics of cancer initiation? 

      Teimouri, Hamid; Kolomeisky, Anatoly B.; Center for Theoretical Biological Physics (2022)
      Cancer is a collection of related genetic diseases exhibiting uncontrolled cell growth that interferes with normal functioning of human organisms. It results from accumulation of unfavorable mutations in tissues. While the biochemical picture of how cancer appears is known, the molecular mechanisms of tumor formation remain not fully understood despite ...
    • Thermal annealing effects on palladium-decorated gold nanoparticle catalysts 

      Fang, Yu-Lun; Zhao, Zhun; Heck, Kimberly N.; Pretzer, Lori A.; Guo, Neng; (2022)
      Palladium metal supported on gold in the form of surface ensembles have enhanced catalytic properties compared to monometallic Pd, as exemplified by Pd-decorated Au nanoparticles (Pd-on-Au NPs) for various room-temperature reactions. Whereas the catalytic properties and nanostructure of Pd-on-Au NPs are not known at higher temperatures, this work ...
    • Versatile acid solvents for pristine carbon nanotube assembly 

      Headrick, Robert J.; Williams, Steven M.; Owens, Crystal E.; Taylor, Lauren W.; Dewey, Oliver S.; (2022)
      Chlorosulfonic acid and oleum are ideal solvents for enabling the transformation of disordered carbon nanotubes (CNTs) into precise and highly functional morphologies. Currently, processing these solvents using extrusion techniques presents complications due to chemical compatibility, which constrain equipment and substrate material options. Here, ...
    • Thermal coupled cluster theory for SU(2) systems 

      Harsha, Gaurav; Xu, Yi; Henderson, Thomas M.; Scuseria, Gustavo E. (2022)
      Coupled cluster (CC) has established itself as a powerful theory to study correlated quantum many-body systems. Finite-temperature generalizations of CC theory have attracted considerable interest and have been shown to work as nicely as the ground-state theory. However, most of these recent developments address only fermionic or bosonic systems. The ...
    • ADAM8 signaling drives neutrophil migration and ARDS severity 

      Conrad, Catharina; Yildiz, Daniela; Cleary, Simon J.; Margraf, Andreas; Cook, Lena; (2022)
      Acute respiratory distress syndrome (ARDS) results in catastrophic lung failure and has an urgent, unmet need for improved early recognition and therapeutic development. Neutrophil influx is a hallmark of ARDS and is associated with the release of tissue-destructive immune effectors, such as matrix metalloproteinases (MMPs) and membrane-anchored ...
    • Charge-neutral fermions and magnetic field-driven instability in insulating YbIr3Si7 

      Sato, Y.; Suetsugu, S.; Tominaga, T.; Kasahara, Y.; Kasahara, S.; (2022)
      Kondo lattice materials, where localized magnetic moments couple to itinerant electrons, provide a very rich backdrop for strong electron correlations. They are known to realize many exotic phenomena, with a dramatic example being recent observations of quantum oscillations and metallic thermal conduction in insulators, implying the emergence of ...
    • Molecular electronics sensors on a scalable semiconductor chip: A platform for single-molecule measurement of binding kinetics and enzyme activity 

      Fuller, Carl W.; Padayatti, Pius S.; Abderrahim, Hadi; Adamiak, Lisa; Alagar, Nolan; (2022)
      For nearly 50 years, the vision of using single molecules in circuits has been seen as providing the ultimate miniaturization of electronic chips. An advanced example of such a molecular electronics chip is presented here, with the important distinction that the molecular circuit elements play the role of general-purpose single-molecule sensors. The ...
    • A VDAC1-mediated NEET protein chain transfers [2Fe-2S] clusters between the mitochondria and the cytosol and impacts mitochondrial dynamics 

      Karmi, Ola; Marjault, Henri-Baptiste; Bai, Fang; Roy, Susmita; Sohn, Yang-Sung; (2022)
      Mitochondrial inner NEET (MiNT) and the outer mitochondrial membrane (OMM) mitoNEET (mNT) proteins belong to the NEET protein family. This family plays a key role in mitochondrial labile iron and reactive oxygen species (ROS) homeostasis. NEET proteins contain labile [2Fe-2S] clusters which can be transferred to apo-acceptor proteins. In eukaryotes, ...
    • Quantum information scrambling in molecules 

      Zhang, Chenghao; Wolynes, Peter G.; Gruebele, Martin; Center for Theoretical Biological Physics (2022)
      Out-of-time-order correlators (OTOCs) can be used to probe how quickly a quantum system scrambles information when the initial conditions of the dynamics are changed. In sufficiently large quantum systems, one can extract from the OTOC the quantum analog of the Lyapunov coefficient that describes the timescale on which a classical chaotic system ...
    • Settling dynamics of Brownian chains in viscous fluids 

      Cunha, Lucas H. P.; Zhao, Jingjing; MacKintosh, Fred C.; Biswal, Sibani Lisa; Center for Theoretical Biological Physics (2022)
      We investigate the dynamics of sedimenting Brownian filaments using experimental, computational, and theoretical approaches. The filaments under consideration are composed of linked colloidal particles that form bead-spring-like chains. Under the action of gravitational forces, the nonlocal hydrodynamic interactions cause the filaments to bend and ...
    • Facemasks and ferrous metallurgy: improving gasification reactivity of low-volatile coals using waste COVID-19 facemasks for ironmaking application 

      Stewart, Daniel J. C.; Fisher, Lucy V.; Warwick, Michael E. A.; Thomson, David; Barron, Andrew R. (2022)
      The global pandemic response to COVID-19 has led to the generation of huge volumes of unrecyclable plastic waste from single use disposable face coverings. Rotary hearth furnaces can be used to recover Zn and Fe from non-recyclable steelmaking by-product dusts, and waste plastic material such as facemasks could be utilized as a supplementary reductant ...
    • Near-infrared photoluminescence of Portland cement 

      Meng, Wei; Bachilo, Sergei M.; Parol, Jafarali; Nagarajaiah, Satish; Weisman, R. Bruce (2022)
      Portland cement emits bright near-infrared photoluminescence that can be excited by light wavelengths ranging from at least 500–1000 nm. The emission has a peak wavelength near 1140 nm and a width of approximately 30 nm. Its source is suggested to be small particles of silicon associated with calcium silicate phases. The luminescence peak wavelength ...
    • Bone-Specific Enhancement of Antibody Therapy for Breast Cancer Metastasis to Bone 

      Tian, Zeru; Yu, Chenfei; Zhang, Weijie; Wu, Kuan-Lin; Wang, Chenhang; (2022)
      Despite the rapid evolution of therapeutic antibodies, their clinical efficacy in the treatment of bone tumors is hampered due to the inadequate pharmacokinetics and poor bone tissue accessibility of these large macromolecules. Here, we show that engineering therapeutic antibodies with bone-homing peptide sequences dramatically enhances their ...
    • Formation of cellular close-ended tunneling nanotubes through mechanical deformation 

      Chang, Minhyeok; Lee, O-chul; Bu, Gayun; Oh, Jaeho; Yunn, Na-Oh; (2022)
      Membrane nanotubes or tunneling nanotubes (TNTs) that connect cells have been recognized as a previously unidentified pathway for intercellular transport between distant cells. However, it is unknown how this delicate structure, which extends over tens of micrometers and remains robust for hours, is formed. Here, we found that a TNT develops from a ...
    • Identifying optimal cycles in quantum thermal machines with reinforcement-learning 

      Erdman, Paolo A.; Noé, Frank (2022)
      The optimal control of open quantum systems is a challenging task but has a key role in improving existing quantum information processing technologies. We introduce a general framework based on reinforcement learning to discover optimal thermodynamic cycles that maximize the power of out-of-equilibrium quantum heat engines and refrigerators. We apply ...
    • Phase controlled synthesis of transition metal carbide nanocrystals by ultrafast flash Joule heating 

      Deng, Bing; Wang, Zhe; Chen, Weiyin; Li, John Tianci; Luong, Duy Xuan; (2022)
      Nanoscale carbides enhance ultra-strong ceramics and show activity as high-performance catalysts. Traditional lengthy carburization methods for carbide syntheses usually result in coked surface, large particle size, and uncontrolled phase. Here, a flash Joule heating process is developed for ultrafast synthesis of carbide nanocrystals within 1 s. ...