Now showing items 1-20 of 403

    • Isotope effects in aqueous solvation of simple halides 

      Videla, Pablo E.; Rossky, Peter J.; Laria, D. (2018)
      We present a path-integral-molecular-dynamics study of the thermodynamic stabilities of DOH⋯ X− and HOD⋯ X− (X = F, Cl, Br, I) coordination in aqueous solutions at ambient conditions. In agreement with experimental evidence, ...
    • Physical-chemical mechanisms of pattern formation during gastrulation 

      Bozorgui, Behnaz; Kolomeisky, Anatoly B.; Teimouri, Hamid (2018)
      Gastrulation is a fundamental phase during the biological development of most animals when a single layer of identical embryo cells is transformed into a three-layer structure, from which the organs start to develop. Despite ...
    • High-yield single-step catalytic growth of graphene nanostripes by plasma enhanced chemical vapor deposition 

      Hsu, Chen-Chih; Bagley, Jacob D.; Teague, Marcus L.; Tseng, Wei-Shiuan; Yang, Kathleen L.; Zhang, Yiran; Li, Yiliang; Li, Yilun; Tour, James M.; Yeh, N.-C. (2018)
      We report a single-step growth process of graphene nanostripes (GNSPs) by adding certain substituted aromatics (e.g., 1,2-dichlorobenzene) as precursors during the plasma enhanced chemical vapor deposition (PECVD). Without ...
    • Distinguishing mechanisms underlying EMT tristability 

      Jia, Dongya; Jolly, Mohit K; Tripathi, Satyendra C; Den Hollander, Petra; Huang, Bin; Lu, Mingyang; Celiktas, Muge; Ramirez-Peña, Esmeralda; Ben-Jacob, Eshel; Onuchic, José N; Hanash, Samir M; Mani, Sendurai A; Levine, Herbert (2017-11-01)
      Abstract Background The Epithelial-Mesenchymal Transition (EMT) endows epithelial-looking cells with enhanced migratory ability during embryonic development and tissue repair. ...
    • Covalent Capture of Aligned Self-Assembling Nanofibers 

      Li, I-Che; Hartgerink, Jeffrey D. (2017)
      A great deal of effort has been invested in the design and characterization of systems which spontaneously assemble into nanofibers. These systems are interesting for their fundamental supramolecular chemistry and have ...
    • Tunable Surface Properties of Aluminum Oxide Nanoparticles from Highly Hydrophobic to Highly Hydrophilic 

      Al-Shatty, Wafaa; Lord, Alex M.; Alexander, Shirin; Barron, Andrew R. (2017)
      The formation of materials with tunable wettability is important for applications ranging from antifouling to waterproofing surfaces. We report the use of various low-cost and nonhazardous hydrocarbon materials to tune the ...
    • A TiO2/FeMnP Core/Shell Nanorod Array Photoanode for Efficient Photoelectrochemical Oxygen Evolution 

      Schipper, Desmond E.; Zhao, Zhenhuan; Leitner, Andrew P.; Xie, Lixin; Qin, Fan; Alam, Md Kamrul; Chen, Shuo; Wang, Dezhi; Ren, Zhifeng; Wang, Zhiming; Bao, Jiming; Whitmire, Kenton H. (2017)
      A variety of catalysts have recently been developed for electrocatalytic oxygen evolution, but very few of them can be readily integrated with semiconducting light absorbers for photoelectrochemical or photocatalytic water ...
    • Easily Regenerated Readily Deployable Absorbent for Heavy Metal Removal from Contaminated Water 

      Alagappan, Perry N.; Heimann, Jessica; Morrow, Lauren; Andreoli, Enrico; Barron, Andrew R. (2017)
      Although clean and abundant water is the keystone of thriving communities, increasing demand and volatile climate patterns are depleting rivers and aquifers. Moreover, the quality of such water sources is threatened by ...
    • Anionic Bismuth Oxido Clusters with Pendant Silver Cations: Synthesis and Structures of {[Bi4(µ3-O)2(TFA)9Ag(tol)2]2} and {Bi4(µ3-O)2(TFA)10(AgPPh3)2}n 

      Andleeb, Sohalia; Donaldson, Samantha L.; Schipper, Desmond E.; Fernandez, Ismael I. Loera; ud Dean, Imtiaz; Whitmire, Kenton H. (2017)
    • Interactions between mitoNEET and NAF-1 in cells 

      Karmi, Ola; Holt, Sarah H.; Song, Luhua; Tamir, Sagi; Luo, Yuting; Bai, Fang; Adenwalla, Ammar; Darash-Yahana, Merav; Sohn, Yang-Sung; Jennings, Patricia A.; Azad, Rajeev K.; Onuchic, José N.; Morcos, Faruck; Nechushtai, Rachel; Mittler, Ron (2017)
      The NEET proteins mitoNEET (mNT) and nutrient-deprivation autophagy factor-1 (NAF-1) are required for cancer cell proliferation and resistance to oxidative stress. NAF-1 and mNT are also implicated in a number of other ...
    • A magnesium-induced triplex pre-organizes the SAM-II riboswitch 

      Roy, Susmita; Lammert, Heiko; Hayes, Ryan L.; Chen, Bin; LeBlanc, Regan; Dayie, T. Kwaku; Onuchic, José N.; Sanbonmatsu, Karissa Y. (2017)
      Our 13C- and 1H-chemical exchange saturation transfer (CEST) experiments previously revealed a dynamic exchange between partially closed and open conformations of the SAM-II riboswitch in the absence of ligand. Here, ...
    • Interrogating the topological robustness of gene regulatory circuits by randomization 

      Huang, Bin; Lu, Mingyang; Jia, Dongya; Ben-Jacob, Eshel; Levine, Herbert; Onuchic, José N. (2017)
      One of the most important roles of cells is performing their cellular tasks properly for survival. Cells usually achieve robust functionality, for example, cell-fate decision-making and signal transduction, through multiple ...
    • Electronic Excited State Lifetimes of Anionic Water Clusters: Dependence on Charge Solvation Motif 

      Borgis, Daniel; Rossky, Peter J.; Turi, László (2017)
      An ongoing controversy about water cluster anions concerns the electron-binding motif, whether the charge center is localized at the surface or within the cluster interior. Here, mixed quantum-classical dynamics simulations ...
    • Current-Generating Double-Layer Shoe with a Porous Sole: Ion Transport Matters 

      Kornyshev, Alexei A.; Twidale, Rebecca M.; Kolomeisky, Anatoly B. (2017)
      Generating electrical current from mechanically forced variation of the contact area of electrode/electrolyte interface underpins one of the scenarios of harvesting electrical current from walking. We develop here theory ...
    • Towards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods 

      Motta, Mario; Ceperley, David M.; Chan, Garnet Kin-Lic; Gomez, John A.; Gull, Emanuel; Guo, Sheng; Jiménez-Hoyos, Carlos A.; Lan, Tran Nguyen; Li, Jia; Ma, Fengjie; Millis, Andrew J.; Prokof’ev, Nikolay V.; Ray, Ushnish; Scuseria, Gustavo E.; Sorella, Sandro; Stoudenmire, Edwin M.; Sun, Qiming; Tupitsyn, Igor S.; White, Steven R.; Zgid, Dominika; Zhang, Shiwei (2017)
      We present numerical results for the equation of state of an infinite chain of hydrogen atoms. A variety of modern many-body methods are employed, with exhaustive cross-checks and validation. Approaches for reaching the ...
    • Fluorinated h-BN as a magnetic semiconductor 

      Radhakrishnan, Sruthi; Das, Deya; Samanta, Atanu; de los Reyes, Carlos A.; Deng, Liangzi; Alemany, Lawrence B.; Weldeghiorghis, Thomas K.; Khabashesku, Valery N.; Kochat, Vidya; Jin, Zehua; Sudeep, Parambath M.; Martí, Angel A.; Chu, Ching-Wu; Roy, Ajit; Tiwary, Chandra Sekhar; Singh, Abhishek K.; Ajayan, Pulickel M. (2017)
      We report the fluorination of electrically insulating hexagonal boron nitride (h-BN) and the subsequent modification of its electronic band structure to a wide bandgap semiconductor via introduction of defect levels. The ...
    • Molecular machines open cell membranes 

      García-López, Víctor; Chen, Fang; Nilewski, Lizanne G.; Duret, Guillaume; Aliyan, Amir; Kolomeisky, Anatoly B.; Robinson, Jacob T.; Wang, Gufeng; Pal, Robert; Tour, James M. (2017)
      Beyond the more common chemical delivery strategies, several physical techniques are used to open the lipid bilayers of cellular membranes[1]. These include using electric[2] and magnetic[3] fields, temperature[4], ...
    • Practical Singly and Doubly Electrophilic Aminating Agents: A New, More Sustainable Platform for Carbon–Nitrogen Bond Formation 

      Kattamuri, Padmanabha V.; Yin, Jun; Siriwongsup, Surached; Kwon, Doo-Hyun; Ess, Daniel H.; Li, Qun; Li, Guigen; Yousufuddin, Muhammed; Richardson, Paul F.; Sutton, Scott C.; Kürti, László (2017)
      Given the importance of amines in a large number of biologically active natural products, active pharmaceutical ingredients, agrochemicals, and functional materials, the development of efficient C–N bond-forming methods ...
    • Bifunctional metal phosphide FeMnP films from single source metal organic chemical vapor deposition for efficient overall water splitting 

      Zhao, Zhenhuan; Schipper, Desmond E.; Leitner, Andrew P.; Thirumalai, Hari; Chen, Jing-Han; Xie, Lixin; Qin, Fan; Alam, Md Kamrul; Grabow, Lars C.; Chen, Shuo; Wang, Dezhi; Ren, Zhifeng; Wang, Zhiming; Whitmire, Kenton H.; Bao, Jiming (2017)
      Developing stable and efficient bifunctional catalysts for overall water splitting into hydrogen and oxygen is a critical step in the realization of several clean-energy technologies. Here we report a robust and highly ...
    • Iron carbonyl clusters with ECl2 units (E = P, As) 

      Schipper, Desmond E.; Chen, Jing-Han; Whitmire, Kenton H. (2017)
      Reaction of [PPN][HFe(CO)4] (PPN = bis(triphenylphosphine)iminium) with PCl3 in a 1:1 ratio produced small amounts of [PPN][P{Fe(CO)4}2Cl2] ([PPN][Ia]). Reaction of [Et4N][HFe(CO)4] with AsCl3 in a 1:0.75 ratio in THF at ...