Publications by Type: Journal Article

2017
W. F. Woodruff, Lewan, M. D., Revil, A., and Torres-Verdín, C., “Complex electrical conductivity changes associated with hydrous pyrolysis maturation of the Woodford Shale.,” Geophysics, vol. 82, no. 2, pp. D83-D104, 2017.
T. Cantu, Walsh, K., Pattani, V. P., Moy, A. J., Tunnell, J. W., Irvin, J. A., and Betancourt, T., “Conductive polymer-based nanoparticles for laser-mediated photothermal ablation of cancer: synthesis, characterization, and in vitro evaluation,” Int J Nanomedicine, vol. 12, pp. 615-632, 2017.Abstract
Laser-mediated photothermal ablation of cancer cells aided by photothermal agents is a promising strategy for localized, externally controlled cancer treatment. We report the synthesis, characterization, and in vitro evaluation of conductive polymeric nanoparticles (CPNPs) of poly(diethyl-4,4'-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,4-phenyle ne] bis(oxy)dibutanoate) (P1) and poly(3,4-ethylenedioxythiophene) (PEDOT) stabilized with 4-dodecylbenzenesulfonic acid and poly(4-styrenesulfonic acid-co-maleic acid) as photothermal ablation agents. The nanoparticles were prepared by oxidative-emulsion polymerization, yielding stable aqueous suspensions of spherical particles of <100 nm diameter as determined by dynamic light scattering and electron microscopy. Both types of nanoparticles show strong absorption of light in the near infrared region, with absorption peaks at 780 nm for P1 and 750 nm for PEDOT, as well as high photothermal conversion efficiencies ( 50%), that is higher than commercially available gold-based photothermal ablation agents. The nanoparticles show significant photostability as determined by their ability to achieve consistent temperatures and to maintain their morphology upon repeated cycles of laser irradiation. In vitro studies in MDA-MB-231 breast cancer cells demonstrate the cytocompatibility of the CPNPs and their ability to mediate complete cancer cell ablation upon irradiation with an 808-nm laser, thereby establishing the potential of these systems as agents for laser-induced photothermal therapy.
B. J. Dear, Hung, J. J., Truskett, T. M., and Johnston, K. P., “Contrasting the Influence of Cationic Amino Acids on the Viscosity and Stability of a Highly Concentrated Monoclonal Antibody,” Pharmaceutical Research, vol. 34, no. 1, pp. 193-207, 2017. Publisher's VersionAbstract
Purpose To explain the effects of cationic amino acids and other co-solutes on the viscosity, stability and protein-protein interactions (PPI) of highly concentrated (≥200 mg/ml) monoclonal antibody (mAb) solutions to advance subcutaneous injection. Methods The viscosities of ≥200 mg/ml mAb1 solutions with various co-solutes and pH were measured by capillary rheometry in some cases up to 70,000 s−1. The viscosities are analyzed in terms of dilute PPI characterized by diffusion interaction parameters (kD) from dynamic light scattering (DLS). MAb stability was measured by turbidity and size exclusion chromatography (SEC) after 4 weeks of 40°C storage. Results Viscosity reductions were achieved by reducing the pH, or adding histidine, arginine, imidazole or camphorsulfonic acid, each of which contains a hydrophobic moiety. The addition of inorganic electrolytes or neutral osmolytes only weakly affected viscosity. Systems with reduced viscosities also tended to be Newtonian, while more viscous systems were shear thinning. Conclusions Viscosity reduction down to 20 cP at 220 mg/ml mAb1 was achieved with co-solutes that are both charged and contain a hydrophobic interaction domain for sufficient binding to the protein surface. These reductions are related to the DLS diffusion interaction parameter, kD, only after normalization to remove the effect of charge screening. Shear rate profiles demonstrate that select co-solutes reduce protein network formation.
Z. Li, Bauers, S. R., Poudel, N., Hamann, D., Wang, X., Choi, D. S., Esfarjani, K., Shi, L., Johnson, D. C., and Cronin, S. B., “Cross-Plane Seebeck Coefficient Measurement of Misfit Layered Compounds (SnSe)n(TiSe2)n (n = 1,3,4,5),” Nano Letters, vol. 17, pp. 1978–1986 , 2017. Publisher's Version
N. Poudel, Liang, S. - J., Choi, D., Hou, B., Shen, L., Shi, H., Ang, L. K., Shi, L., and Cronin, S., “Cross-plane Thermoelectric and Thermionic Transport across Au/h-BN/Graphene Heterostructures,” Scientific Reports, vol. 7, pp. 14148, 2017. Publisher's Version
M. Tucker, Shirota, C., Lambercy, O., Sulzer, J., and Gassert, R., “Design and Characterization of an Exoskeleton for Perturbing the Knee during Gait,” IEEE Transactions on Biomedical Engineering (Accepted), 2017.
R. Edupuganti, Taliaferro, J. M., Wang, Q., Xie, X., Cho, E. J., Vidhu, F., Ren, P., Anslyn, E. V., Bartholomeusz, C., and Dalby, K. N., “Discovery of a potent inhibitor of MELK that inhibits expression of the anti-apoptotic protein Mcl-1 and TNBC cell growth,” Bioorganic & Medicinal Chemistry, vol. 25, no. 9, pp. 2609-2616, 2017.
S. Misra, Torres-Verdín, C., Homan, D., and Rasmus, J., “Dispersive and directional effective electrical conductivity and dielectric permittivity of conductive-mineral-bearing samples derived from multi-frequency tensor electromagnetic induction measurements,” Geophysics, vol. 82, no. 4, pp. D211-D223, 2017.
P. Sayar and Torres-Verdín, C., “Effective-medium modeling of velocity dispersion and attenuation in isotropic rocks.,” Geophysics, vol. 82, no. 2, pp. D133-D154, 2017.
P. Sayar and Torres-Verdín, C., “Effective-medium modeling of velocity dispersion and attenuation in isotropic rocks.,” Geophysics, vol. 82, no. 2, pp. D133-D154, 2017.
D. Choi, Poudel, N., Cronin, S. B., and Shi, L., “Effects of basal-plane thermal conductivity and interface thermal conductance on the hot spot temperature in graphene electronic devices,” Applied Physics Letters, vol. 110, pp. 073104, 2017. Publisher's Version
X. Chen, Jarvis, K., Sullivan, S., Li, Y., Zhou, J., and Shi, L., “Effects of grain boundaries and defects on anisotropic magnon transport in textured Sr14Cu24O41,” Phys. Rev. B, vol. 95, pp. 144310, 2017. Publisher's Version
J. Botto, Fuchs, S. J., Fouke, B. W., Clarens, A. F., Freiburg, J. T., Berger, P. M., and Werth, C. J., “Effects of Mineral Surface Properties on Supercritical CO2 Wettability in a Siliciclastic Reservoir,” Energy & Fuels, vol. 31, no. 5, pp. 5275-5285, 2017. Publisher's VersionAbstract
Wettability is a key reservoir characteristic influencing geological carbon sequestration (GCS) processes, such as CO2 transport and storage capacity. Wettability is often determined on a limited number of reservoir samples by measuring the contact angle at the CO2/brine/mineral interface, but the ability to predict this value remains a challenge. In this work, minerals comprising a natural reservoir sample were identified, and the influence of their surface roughness and mineralogy on the contact angle was quantified to evaluate predictive models and controlling mechanisms. The natural sample was obtained from the Mount Simon formation, a representative siliciclastic reservoir that is the site of a United States Department of Energy CO2 injection project. A thin section of the Mount Simon sandstone was examined with compound light microscopy and environmental scanning electron microscopy (ESEM) coupled with energy-dispersive X-ray spectroscopy (EDS). Quartz and feldspar were identified as dominant minerals and were coated with various reddish black precipitates consistent with illite clay and iron oxide hematite. Contact angle (θ) measurements were conducted for the four representative minerals and the Mount Simon sample over a range of pressures (2–25 MPa) at 40 °C. At supercritical conditions, all samples are strongly water-wet, with contact angles between 27° and 45°. Several predictive models for contact angle were evaluated for the mineral and Mount Simon samples, including the Wenzel and Cassie–Baxter models, plus newly proposed modifications of these that account for the fraction of different minerals comprising the reservoir sample surface, the surface roughness, and the extent that roughness pits are filled with brine. Modeling results suggest that the fraction of mineral surfaces containing roughness pits filled with brine is the most important reservoir characteristic that controls wettability in the Mount Simon sandstone, followed by surface mineralogy. To our knowledge, this is one of the few studies to investigate the effects of individual minerals on the wettability of a natural reservoir sample.
S. Deng, Wang, Q., and Ren, P., “Estimating and modeling charge transfer from the SAPT induction energy,” Journal of Computational Chemistry, 2017.
K. Chen, Ghosh, R., Meng, X., Roy, A., Kim, J. - S., He, F., Mason, S. C., Xu, X., Lin, J. - F., Akinwande, D., Banerjee, S. K., and Wang, Y., “Experimental evidence of exciton capture by mid-gap defects in CVD grown monolayer MoSe2,” npj 2D Materials and Applications, vol. 1, pp. 1-15, 2017. Publisher's VersionAbstract
In two dimensional (2D) transition metal dichalcogenides, defect-related processes can significantly affect carrier dynamics and transport properties. Using femtosecond degenerate pump-probe spectroscopy, exciton capture, and release by mid-gap defects have been observed in chemical vapor deposition (CVD) grown monolayer MoSe2. The observed defect state filling shows a clear saturation at high exciton densities, from which the defect density is estimated to be around 0.5 × 1012/cm2. The exciton capture time extracted from experimental data is around ~ 1 ps, while the average fast and slow release times are 52 and 700 ps, respectively. The process of defect trapping excitons is found to exist uniquely in CVD grown samples, regardless of substrate and sample thickness. X-ray photoelectron spectroscopy measurements on CVD and exfoliated samples suggest that the oxygen-associated impurities could be responsible for the exciton trapping. Our results bring new insights to understand the role of defects in capturing and releasing excitons in 2D materials, and demonstrate an approach to estimate the defect density nondestructively, both of which will facilitate the design and application of optoelectronics devices based on CVD grown 2D transition metal dichalcogenides.
J. Shiriyev, Brick, Y., Zhang, P., Yilmaz, A. E., Torres-Verdín, C., Sharma, M., Hosbach, T., Oerkfitz, M. A., and Gabelmann, J., “Experiments and simulations of a prototype tri-axial electromagnetic induction logging tool for open-hole hydraulic fracture diagnostics,” Geophysics, vol. 83, no. 3, pp. D7-D81, 2017.
X. Chen, Huo, X., Liu, J., Wang, Y., Werth, C. J., and Strathmann, T. J., “Exploring beyond palladium: Catalytic reduction of aqueous oxyanion pollutants with alternative platinum group metals and new mechanistic implications,” Chemical Engineering Journal, vol. 313, pp. 745-752, 2017. Publisher's VersionAbstract
For over two decades, Pd has been the primary hydrogenation metal studied for reductive catalytic water treatment applications. Herein, we report that alternative platinum group metals (Rh, Ru, Pt and Ir) can exhibit substantially higher activity, wider substrate selectivity and variable pH dependence in comparison to Pd. Cross comparison of multiple metals and oxyanion substrates provides new mechanistic insights into the heterogeneous reactions. Activity differences and pH effects mainly originate from the chemical nature of individual metals. Considering the advantages in performance and cost, results support renewed investigation of alternative hydrogenation metals to advance catalytic technologies for water purification and other environmental applications.
S. A. Bakr, Pardo, D., and Torres-Verdín, C., “Fast inversion of logging-while-drilling resistivity measurements acquired in multiple wells,” Geophysics, vol. 82, no. 3, pp. E111-E120, 2017.
S. Huang and Torres-Verdín, C., “Fast-forward modeling of compressional arrival slowness logs in high-angle and horizontal wells.,” Geophysics, vol. 82, no. 2, pp. D105-D120, 2017.
S. Huang and Torres-Verdín, C., “Fast-forward modeling of compressional arrival slowness logs in high-angle and horizontal wells.,” Geophysics, vol. 82, no. 2, pp. D105-D120, 2017.

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