Now showing items 1-20 of 264

    • A Simple and Rapid Method of Forming Double-Sided TiO2 Nanotube Arrays 

      Conrad, Christian L.; Elias, Welman C.; Garcia-Segura, Sergi; Reynolds, Michael A.; Wong, Michael S.; (2022)
      Highly ordered TiO2 nanostructures, known as nanotube arrays (NTAs), exhibit potential in various energy, chemical sensing, and biomedical applications. Owing to its simplicity and high degree of control, titanium anodization serves as the prevailing NTA synthesis method. However, the practicality of this approach is marred by sluggish and inconsistent ...
    • Measuring in-situ capillary pressure of a flowing foam system in porous media 

      Vavra, Eric; Puerto, Maura; Bai, Chutian; Ma, Kun; Mateen, Khalid; (2022)
      Hypothesis: Capillary pressure (Pc) is an intrinsic property of aqueous foams that has been demonstrated to play an important role in lamella rupture. Thus, directly measuring in-situ capillary pressure of a foam flowing through porous media has potential to greatly improve understanding of this complex process. Experiments: A capillary pressure probe ...
    • Characterization of polymeric surfaces and interfaces using time-of-flight secondary ion mass spectrometry 

      Mei, Hao; Laws, Travis S.; Terlier, Tanguy; Verduzco, Rafael; Stein, Gila E.; (2022)
      Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is used for chemical analysis of surfaces. ToF-SIMS is a powerful tool for polymer science because it detects a broad mass range with good mass resolution, thereby distinguishing between polymers that have similar elemental compositions and/or the same types of functional groups. Chemical ...
    • 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 ...
    • Effective viscosification of supercritical carbon dioxide by oligomers of 1-decene 

      Kar, Taniya; Firoozabadi, Abbas (2022)
      Viscosification of carbon dioxide by polymers can make large scale CO2 sequestration safe and efficient. We present solubility of branched hydrocarbon oligomers in CO2 and viscosification measurements at relevant subsurface conditions. Polymers of 1-decene (P1D) with about 20 repeating units are found to be effective in CO2 viscosification, increasing ...
    • Evidence-based biomaterials research 

      Zhang, Kai; Ma, Bin; Hu, Kaiyan; Yuan, Bo; Sun, Xin; (2022)
      The fast development of biomaterials science and engineering has generated significant number of studies and publications as well as tremendous amount of research data. A methodology is needed to translate such research data and results to validated scientific evidence. This article for the first time proposes the concept and methodology of evidence-based ...
    • 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 ...
    • 3D Covalent Organic Frameworks with Interpenetrated pcb Topology Based on 8-Connected Cubic Nodes 

      Shan, Zhen; Wu, Miaomiao; Zhu, Dongyang; Wu, Xiaowei; Zhang, Kan; (2022)
      The connectivity of building units for 3D covalent organic frameworks (COFs) has long been primarily 4 and 6, which have severely curtailed the structural diversity of 3D COFs. Here we demonstrate the successful design and synthesis of a porphyrin based, 8-connected building block with cubic configuration, which could be further reticulated into an ...
    • 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 ...
    • Evaluation of Decarbonization Technologies for ASEAN Countries via an Integrated Assessment Tool 

      Lau, Hon Chung (2022)
      A new assessment tool for evaluating decarbonization technologies that considers each technology’s sustainability, security, affordability, readiness, and impact for a specific country is proposed. This tool is applied to a set of decarbonization technologies for the power, transport, and industry sectors for the ten Southeast Asian countries that ...
    • 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, ...
    • Ultrahigh strength, modulus, and conductivity of graphitic fibers by macromolecular coalescence 

      Lee, Dongju; Kim, Seo Gyun; Hong, Seungki; Madrona, Cristina; Oh, Yuna; (2022)
      Theoretical considerations suggest that the strength of carbon nanotube (CNT) fibers be exceptional; however, their mechanical performance values are much lower than the theoretical values. To achieve macroscopic fibers with ultrahigh performance, we developed a method to form multidimensional nanostructures by coalescence of individual nanotubes. ...
    • Solution-Deposited and Patternable Conductive Polymer Thin-Film Electrodes for Microbial Bioelectronics 

      Tseng, Chia-Ping; Liu, Fangxin; Zhang, Xu; Huang, Po-Chun; Campbell, Ian; (2022)
      Microbial bioelectronic devices integrate naturally occurring or synthetically engineered electroactive microbes with microelectronics. These devices have a broad range of potential applications, but engineering the biotic–abiotic interface for biocompatibility, adhesion, electron transfer, and maximum surface area remains a challenge. Prior approaches ...
    • In silico and in vivo analyses reveal key metabolic pathways enabling the fermentative utilization of glycerol in Escherichia coli 

      Clomburg, James M.; Cintolesi, Angela; Gonzalez, Ramon (2022)
      Most microorganisms can metabolize glycerol when external electron acceptors are available (i.e. under respiratory conditions). However, few can do so under fermentative conditions owing to the unique redox constraints imposed by the high degree of reduction of glycerol. Here, we utilize in silico analysis combined with in vivo genetic and biochemical ...
    • 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 ...
    • Dynamic structural evolution of iron catalysts involving competitive oxidation and carburization during CO2 hydrogenation 

      Zhu, Jie; Wang, Peng; Zhang, Xiaoben; Zhang, Guanghui; Li, Rongtan; (2022)
      Identifying the dynamic structure of heterogeneous catalysts is crucial for the rational design of new ones. In this contribution, the structural evolution of Fe(0) catalysts during CO2 hydrogenation to hydrocarbons has been investigated by using several (quasi) in situ techniques. Upon initial reduction, Fe species are carburized to Fe3C and then ...
    • Extension of Kelvin’s equation to dipolar colloids 

      Joshi, Kedar; Biswal, Sibani Lisa (2022)
      Vapor pressure refers to the pressure exerted by the vapor phase in thermodynamic equilibrium with either its liquid or solid phase. An important class of active matter is field-driven colloids. A suspension of dipolar colloids placed in a high-frequency rotating magnetic field undergoes a nonequilibrium phase transition into a dilute and dense phase, ...
    • The energy cost and optimal design of networks for biological discrimination 

      Yu, Qiwei; Kolomeisky, Anatoly B.; Igoshin, Oleg A.; Center for Theoretical Biological Physics (2022)
      Many biological processes discriminate between correct and incorrect substrates through the kinetic proofreading mechanism that enables lower error at the cost of higher energy dissipation. Elucidating physico-chemical constraints for global minimization of dissipation and error is important for understanding enzyme evolution. Here, we identify ...
    • Decarbonization roadmaps for ASEAN and their implications 

      Lau, Hon Chung (2022)
      The objective of this paper is to derive, for the first time, decarbonization roadmaps for the ten nations of ASEAN. This study first presents a regional view of ASEAN’s fossil and renewable energy usage and energy-related CO2 emission. Results show that renewable energies have been losing ground to fossil energies in the last two decades and fossil ...
    • Grain boundary dynamics driven by magnetically induced circulation at the void interface of 2D colloidal crystals 

      Lobmeyer, Dana M.; Biswal, Sibani Lisa (2022)
      The complexity of shear-induced grain boundary dynamics has been historically difficult to view at the atomic scale. Meanwhile, two-dimensional (2D) colloidal crystals have gained prominence as model systems to easily explore grain boundary dynamics at single-particle resolution but have fallen short at exploring these dynamics under shear. Here, we ...