Waves of DNA: Propagating excitations in extended nanoconfined polymers by de Haan, Hendrick W., Reisner, Walter W., Klotz, Alexander

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An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation by Han, Kehang, Jamal, Adeel, Grambow, Colin A., Buras, Zachary, Green Jr, William H

“…This paper provides a fast and moderately accurate alternative by proposing a polycyclic thermochemistry estimation method that extends the group additivity method with two additional algorithms: similarity match and bicyclic decomposition. …”
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Extended de Gennes Regime of DNA Confined in a Nanochannel by Dai, Liang, van der Maarel, Johan, Doyle, Patrick S

“…In the literature, controversy exists regarding the existence of the extended de Gennes regime in this intermediate region. …”
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Extending the Phantom Network Theory to Account for Cooperative Effect of Defects by Lin, Tzyy-Shyang, Wang, Rui, Johnson, Jeremiah A., Olsen, Bradley D.

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EHreact: Extended Hasse Diagrams for the Extraction and Scoring of Enzymatic Reaction Templates by Heid, Esther, Goldman, Samuel, Sankaranarayanan, Karthik, Coley, Connor Wilson, Flamm, Christoph, Green Jr, William H

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Glucose-Responsive Nanoparticles for Rapid and Extended Self-Regulated Insulin Delivery by Volpatti, Lisa R, Matranga, Morgan A, Cortinas, Abel B, Delcassian, Derfogail, Daniel, Kevin B, Langer, Robert, Anderson, Daniel G

“…A major challenge, however, has been achieving the desired kinetics of both rapid and extended release. Here, we tune insulin release profiles from polymeric nanoparticles by altering the degree of modification of acid-degradable, acetalated-dextran polymers. …”
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Extending BigSMILES to non-covalent bonds in supramolecular polymer assemblies by Zou, Weizhong, Martell Monterroza, Alexis, Yao, Yunxin, Millik, S Cem, Cencer, Morgan M, Rebello, Nathan J, Beech, Haley K, Morris, Melody A, Lin, Tzyy-Shyang, Castano, Cleotilde S, Kalow, Julia A, Craig, Stephen L, Nelson, Alshakim, Moore, Jeffrey S, Olsen, Bradley D

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On computing the solubility of molecular systems subject to constraints using the extended Einstein crystal method by Gobbo, Gianpaolo, Ciccotti, Giovanni, Trout, Bernhardt L.

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Solubility of paracetamol in ethanol by molecular dynamics using the extended Einstein crystal method and experiments by Bellucci, Michael A., Gobbo, Gianpaolo, Wijethunga, Tharanga K., Ciccotti, Giovanni, Trout, Bernhardt L.

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Simulation of the structure and mechanics of crystalline 4,4′-diphenylmethane diisocyanate (MDI) with n -butanediol (BDO) as chain extender by in ‘t Veld, Pieter J., Lempesis, Nikolaos, Rutledge, Gregory C

“…We report molecular simulation, at the atomistic level, of crystalline 4,4′-diphenylmethane diisocyanate (MDI) with n-butanediol (BDO) as chain extender, henceforth denoted as MDI/BDO, which is one of the most important components of thermoplastic polyurethanes. …”
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Generalized Derivatives of Differential–Algebraic Equations by Stechlinski, Peter G, Barton, Paul I

“…Nonsmooth equation-solving and optimization algorithms which require local sensitivity information are extended to systems with nonsmooth parametric differential–algebraic equations embedded. …”
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Modeling of copy number variability in Pichia pastoris by Lu, Amos E., Maloney, Andrew J., Dalvie, Neil C., Brady, Joseph R., Love, Kerry R., Love, J. Christopher, Braatz, Richard D.

“…The model is also extended to analyze a continuous seeding strategy. …”
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Evolution of the Solid–Electrolyte Interphase on Carbonaceous Anodes Visualized by Atomic-Resolution Cryogenic Electron Microscopy by Huang, William, Attia, Peter M., Wang, Hansen, Renfrew, Sara E., Jin, Norman, Das, Supratim, Zhang, Zewen, Boyle, David T., Li, Yuzhang, Bazant, Martin Z., McCloskey, Bryan D., Chueh, William C., Cui, Yi

“…We find that a thin, primarily amorphous SEI nucleates on the first cycle, which further evolves into one of two distinct SEI morphologies upon further cycling: (1) a compact SEI, with a high concentration of inorganic components that effectively passivates the negative electrode; and (2) an extended SEI spanning hundreds of nanometers. This extended SEI grows on particles that lack a compact SEI and consists primarily of alkyl carbonates. …”
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A mathematical analysis of carbon fixing materials that grow, reinforce, and self-heal from atmospheric carbon dioxide by Parviz, Dorsa, Lundberg, Daniel J, Kwak, Seonyeong, Kim, Hyunah, Strano, Michael S

“…<p>Carbon fixing materials use ambient CO₂ to add to an extending carbon backbone. Here, reaction engineering and materials analysis answer questions about the maximum growth rate, photocatalytic requirements, and limits of applicable materials.…”
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A Janus Mucoadhesive and Omniphobic Device for Gastrointestinal Retention by Lee, Young-Ah Lucy, Zhang, Shiyi, Lin, Jiaqi, Langer, Robert, Traverso, Giovanni

“…A novel Janus device with omniphobic and mucoadhesive sides that exhibit the unique capacity for antifouling and extended gastrointestinal retention is fabricated. …”
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Exciton trapping is responsible for the long apparent lifetime in acid-treated by Goodman, Aaron Jacob, Willard, Adam P., Tisdale, William

“…Temperature-dependent transient photoluminescence spectroscopy reveals an exponential tail of long-lived states extending hundreds of meV into the band gap. These subband states, which are characterized by a 4 μs radiative lifetime, quickly capture and store photogenerated excitons before subsequent thermalization up to the band edge where fast radiative recombination occurs. …”
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Microgel encapsulated nanoparticles for glucose-responsive insulin delivery by Volpatti, Lisa R, Facklam, Amanda L., Cortinas, Abel Bryan, Lu, Yen-Chun, Matranga, Morgan A., MacIsaac, Corina, Hill, Michael C., Langer, Robert S, Anderson, Daniel Griffith

“…With 2 doses of microgels containing 60 IU/kg insulin each, we are able to achieve extended glycemic control in diabetic mice for 22 days.…”
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Bayesian optimization with known experimental and design constraints for chemistry applications by Hase, Florian

“…We benchmark these extended algorithms on continuous and discrete test functions with a diverse set of constraints, demonstrating their flexibility and robustness. …”
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Quantitative Characterization of Local Protein Solvation To Predict Solvent Effects on Protein Structure by Vagenende, Vincent, Trout, Bernhardt L., Trout, Bernhardt L.

“…In this study, we show that local solvation preferences can be quantified over the entire protein surface from extended molecular dynamics simulations. By subjecting microsecond trajectories of two proteins (lysozyme and antibody fragment D1.3) in 4 M glycerol to rigorous statistical analyses, solvent preferences of individual protein residues are quantified by local preferential interaction coefficients. …”
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DFBAlab: a fast and reliable MATLAB code for dynamic flux balance analysis by Gomez, Jose Alberto, Hoeffner, Kai, Barton, Paul I.

“…Results: DFBAlab, a MATLAB-based simulator that uses the LP feasibility problem to obtain an extended system and lexicographic optimization to yield unique exchange fluxes, is presented. …”
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