@article{dinh_paudel_brochu_popowski_gracieux_cores_huang_hensley_harrell_vandergriff_et al._2020, title={Inhalation of lung spheroid cell secretome and exosomes promotes lung repair in pulmonary fibrosis}, volume={11}, ISSN={["2041-1723"]}, url={http://dx.doi.org/10.1038/s41467-020-14344-7}, DOI={10.1038/s41467-020-14344-7}, abstractNote={Abstract Idiopathic pulmonary fibrosis (IPF) is a fatal and incurable form of interstitial lung disease in which persistent injury results in scar tissue formation. As fibrosis thickens, the lung tissue loses the ability to facilitate gas exchange and provide cells with needed oxygen. Currently, IPF has few treatment options and no effective therapies, aside from lung transplant. Here we present a series of studies utilizing lung spheroid cell-secretome (LSC-Sec) and exosomes (LSC-Exo) by inhalation to treat different models of lung injury and fibrosis. Analysis reveals that LSC-Sec and LSC-Exo treatments could attenuate and resolve bleomycin- and silica-induced fibrosis by reestablishing normal alveolar structure and decreasing both collagen accumulation and myofibroblast proliferation. Additionally, LSC-Sec and LSC-Exo exhibit superior therapeutic benefits than their counterparts derived from mesenchymal stem cells in some measures. We showed that an inhalation treatment of secretome and exosome exhibited therapeutic potential for lung regeneration in two experimental models of pulmonary fibrosis.}, number={1}, journal={NATURE COMMUNICATIONS}, publisher={Springer Science and Business Media LLC}, author={Dinh, Phuong-Uyen C. and Paudel, Dipti and Brochu, Hayden and Popowski, Kristen D. and Gracieux, M. Cyndell and Cores, Jhon and Huang, Ke and Hensley, M. Taylor and Harrell, Erin and Vandergriff, Adam C. and et al.}, year={2020}, month={Feb} }
 @inbook{santiso_huang_gubbins_kostov_george_nardelli_2009, title={Ab initio simulations of chemical reactions in nanostructured carbon materials}, ISBN={1588831388}, booktitle={Quantum chemical calculations of surfaces and interfaces of materials}, publisher={Stevenson Ranch, Calif.: American Scientific Publishers,}, author={Santiso, E. E. and Huang, L. and Gubbins, K. E. and Kostov, M. K. and George, A. M. and Nardelli, M. B.}, editor={V. A. Basiuk and Ugliengo, P.Editors}, year={2009} }
 @article{santiso_kostov_george_nardelli_gubbins_2007, title={Confinement effects on chemical reactions - Toward an integrated rational catalyst design}, volume={253}, ISSN={["1873-5584"]}, DOI={10.1016/j.apsusc.2006.12.121}, abstractNote={Most chemical reactions of practical interest are carried out in nano-structured materials, which can enhance reactions due to their large specific surface area, their interactions with the reacting mixture and confinement effects. An experimental investigation of the role of each possible catalytic effect is challenging, since experimental measurements reflect an integration over multiple effects. In this work, we present a review of our most recent research on some of the factors that can influence a chemical reaction in confinement through the study of several model systems. We first consider the influence of steric hindrance on the equilibrium and kinetics for the rotational isomerizations of several small hydrocarbons [E.E. Santiso, M. Buongiorno Nardelli, K.E. Gubbins, Proc. Natl. Acad. Sci. U.S.A., (2007), in press]. These examples illustrate how reaction rates can vary doubly exponentially with the dimensions of the confining material (the ‘shape-catalytic’ effect). As a second example, we consider the unimolecular decomposition of formaldehyde on graphitic carbon pores of various sizes [E.E. Santiso, A.M. George, K.E. Gubbins, M. Buongiorno Nardelli, J. Chem. Phys. 125 (2006) 084711]. These results illustrate the influence of electrostatic interactions with the supporting material on the reaction mechanism and equilibrium yield for reactions involving a charge transfer. As a final example, we consider the interaction of a water molecule with a defective carbon substrate as an example of a chemical interaction that can be enhanced through a shape-catalytic effect. We first show using ab initio calculations how a vacancy site on a graphene surface can induce the thermal splitting of water at relatively low temperatures [M.K. Kostov, E.E. Santiso, A.M. George, K.E. Gubbins, M. Buongiorno Nardelli, Phys. Rev. Lett. 95 (2005) 136105]. We then examine the dissociation on a vacancy site on a nanotube surface, which shows the shape-catalytic effect of the surface curvature. These results are a first step toward the design of catalytic materials that take advantage of different enhancing effects simultaneously.}, number={13}, journal={APPLIED SURFACE SCIENCE}, author={Santiso, Erik E. and Kostov, Milen K. and George, Aaron M. and Nardelli, Marco Buongiorno and Gubbins, Keith E.}, year={2007}, month={Apr}, pages={5570–5579} }
 @article{santiso_george_gubbins_nardelli_2006, title={Effect of confinement by porous carbons on the unimolecular decomposition of formaldehyde}, volume={125}, ISSN={["1089-7690"]}, DOI={10.1063/1.2220566}, abstractNote={As part of an effort to understand the effect of confinement by porous carbons on chemical reactions, we have carried out density functional theory calculations on the unimolecular decomposition of formaldehyde within graphitic carbons. Our results show that the interactions with the carbon walls result in a lowering of the reaction barrier. For larger pores, there is also a shift of the equilibrium towards the formation of carbon monoxide and hydrogen at low temperatures. This trend is reversed for small pore sizes.}, number={8}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Santiso, Erik E. and George, Aaron M. and Gubbins, Keith E. and Nardelli, Marco Buongiorno}, year={2006}, month={Aug} }
 @article{santiso_george_turner_kostov_gubbins_buongiorno-nardelli_sliwinska-bartkowiak_2005, title={Adsorption and catalysis: The effect of confinement on chemical reactions}, volume={252}, ISSN={["1873-5584"]}, DOI={10.1016/j.apsusc.2005.02.101}, abstractNote={Confinement within porous materials can affect chemical reactions through a host of different effects, including changes in the thermodynamic state of the system due to interactions with the pore walls, selective adsorption, geometrical constraints that affect the reaction mechanism, electronic perturbation due to the substrate, etc. In this work, we present an overview of some of our recent research on some of these effects, on chemical equilibrium, kinetic rates and reaction mechanisms. We also discuss our current and future directions for research in this area.}, number={3}, journal={APPLIED SURFACE SCIENCE}, author={Santiso, EE and George, AM and Turner, CH and Kostov, MK and Gubbins, KE and Buongiorno-Nardelli, M and Sliwinska-Bartkowiak, M}, year={2005}, month={Oct}, pages={766–777} }
 @article{kostov_santiso_george_gubbins_nardelli_2005, title={Dissociation of water on defective carbon substrates}, volume={95}, ISSN={["1079-7114"]}, DOI={10.1103/physrevlett.95.136105}, abstractNote={Using calculations from first principles, we found that water can dissociate over defective sites in graphene or nanotubes following many possible reaction pathways, some of which have activation barriers lower than half the value for the dissociation of bulk water. This reduction is caused by spin selection rules that allow the system to remain on the same spin surface throughout the reaction.}, number={13}, journal={PHYSICAL REVIEW LETTERS}, author={Kostov, MK and Santiso, EE and George, AM and Gubbins, KE and Nardelli, MB}, year={2005}, month={Sep} }
 @article{santiso_george_sliwinska-bartkowiak_nardelli_gubbins_2005, title={Effect of Confinement on Chemical Reactions}, volume={11}, ISSN={0929-5607 1572-8757}, url={http://dx.doi.org/10.1007/s10450-005-5949-9}, DOI={10.1007/s10450-005-5949-9}, abstractNote={Molecular simulation studies of chemical equilibrium for several reactions in pores of slit-like and cylindrical geometry have shown a significant effect of the confinement on the equilibrium compositions, with differences of several orders of magnitude with respect to the bulk fluid phase in some cases. As a first step towards the calculation of rate constants in confinement, we have studied the reaction mechanisms for several reactions involving small organic molecules in slit-like pores. We show results for the rotational isomerization of 1,3-butadiene and the unimolecular decomposition of formaldehyde obtained using plane wave pseudopotential density functional theory (DFT). These examples show the influence that confinement can have through both geometrical constraints and fluid-wall interactions.}, number={S1}, journal={Adsorption}, publisher={Springer Nature}, author={Santiso, Erik E. and George, Aaron M. and Sliwinska-bartkowiak, Malgorzata and Nardelli, Marco Buongiorno and Gubbins, Keith E.}, year={2005}, month={Jul}, pages={349–354} }