@article{peerless_gulyuk_milliken_kim_reid_lee_kim_hendren_choi_yingling_2023, title={Role of Nanoscale Morphology on the Efficiency of Solvent-Based Desalination Method}, volume={1}, ISSN={["2690-0637"]}, url={https://doi.org/10.1021/acsestwater.2c00473}, DOI={10.1021/acsestwater.2c00473}, abstractNote={Brine desalination is important for minimizing the environmental impact of contaminated wastewater, yet current desalination techniques have high energy requirements. Solvent-based desalination (SBD) method, which is the process of extracting fresh water using an organic solvent, has existed for decades, yet has not reached competitive efficiencies. In this work, 10 organic solvents were tested for SBD efficacy via synergetic studies using bench-scale extraction experiments and molecular dynamics (MD) simulations. The SBD effectiveness was correlated to the computationally observed ability of the solvent to form one of the three morphologies in water: ordered, disordered, or partial nanoscale. We correlated that solvents that form ordered and disordered morphologies were not able to clean up the water. Solvents that were able to cause low salinity in water showed computationally observed partial nanoscale phase separation, where nanometer-scale aggregated solvent phases were able to effectively reject salt ions while capturing comparatively large amounts of water molecules. The formation of a partial nanoscale phase is likely driven by the solvent structure with bulky hydrocarbons adjacent to hydrophilic end groups. Our results make a step toward the rational design of solvents that may allow for efficient SBD and thus a low-cost source of fresh water.}, journal={ACS ES&T WATER}, author={Peerless, James S. and Gulyuk, Alexey V and Milliken, Nina J. B. and Kim, Gyu Dong and Reid, Elliot and Lee, Jae Woo and Kim, Dooil and Hendren, Zachary and Choi, Young Chul and Yingling, Yaroslava G.}, year={2023}, month={Jan} }
 @article{nash_manning_gulyuk_kuznetsov_yingling_2022, title={Gold nanoparticle design for RNA compaction}, volume={17}, ISSN={["1559-4106"]}, url={https://doi.org/10.1116/6.0002043}, DOI={10.1116/6.0002043}, abstractNote={RNA-based therapeutics hold a great promise in treating a variety of diseases. However, double-stranded RNAs (dsRNAs) are inherently unstable, highly charged, and stiff macromolecules that require a delivery vehicle. Cationic ligand functionalized gold nanoparticles (AuNPs) are able to compact nucleic acids and assist in RNA delivery. Here, we use large-scale all-atom molecular dynamics simulations to show that correlations between ligand length, metal core size, and ligand excess free volume control the ability of nanoparticles to bend dsRNA far below its persistence length. The analysis of ammonium binding sites showed that longer ligands that bind deep within the major groove did not cause bending. By limiting ligand length and, thus, excess free volume, we have designed nanoparticles with controlled internal binding to RNA's major groove. NPs that are able to induce RNA bending cause a periodic variation in RNA's major groove width. Density functional theory studies on smaller models support large-scale simulations. Our results are expected to have significant implications in packaging of nucleic acids for their applications in nanotechnology and gene delivery.}, number={6}, journal={BIOINTERPHASES}, author={Nash, Jessica A. and Manning, Matthew D. and Gulyuk, Alexey V. and Kuznetsov, Aleksey E. and Yingling, Yaroslava G.}, year={2022}, month={Nov} }
 @article{gulyuk_lajeunesse_collazo_ivanisevic_2021, title={Tuning Microbial Activity via Programmatic Alteration of Cell/Substrate Interfaces}, volume={5}, ISSN={["1521-4095"]}, DOI={10.1002/adma.202004655}, abstractNote={A wide portfolio of advanced programmable materials and structures has been developed for biological applications in the last two decades. Particularly, due to their unique properties, semiconducting materials have been utilized in areas of biocomputing, implantable electronics, and healthcare. As a new concept of such programmable material design, biointerfaces based on inorganic semiconducting materials as substrates introduce unconventional paths for bioinformatics and biosensing. In particular, understanding how the properties of a substrate can alter microbial biofilm behavior enables researchers to better characterize and thus create programmable biointerfaces with necessary characteristics on demand. Herein, the current status of advanced microorganism-inorganic biointerfaces is summarized along with types of responses that can be observed in such hybrid systems. This work identifies promising inorganic material types along with target microorganisms that will be critical for future research on programmable biointerfacial structures.}, journal={ADVANCED MATERIALS}, author={Gulyuk, Alexey V. and LaJeunesse, Dennis R. and Collazo, Ramon and Ivanisevic, Albena}, year={2021}, month={May} }
 @article{gulyuk_lajeunesse_collazo_ivanisevic_2018, title={Characterization of Pseudomonas aeruginosa Films on Different Inorganic Surfaces before and after UV Light Exposure}, volume={34}, ISSN={["0743-7463"]}, DOI={10.1021/acs.langmuir.8b02079}, abstractNote={The changes of the surface properties of Au, GaN, and SiO x after UV light irradiation were used to actively influence the process of formation of Pseudomonas aeruginosa films. The interfacial properties of the substrates were characterized by X-ray photoelectron spectroscopy and atomic force microscopy. The changes in the P. aeruginosa film properties were accessed by analyzing adhesion force maps and quantifying the intracellular Ca2+ concentration. The collected analysis indicates that the alteration of the inorganic materials' surface chemistry can lead to differences in biofilm formation and variable response from P. aeruginosa cells.}, number={36}, journal={LANGMUIR}, author={Gulyuk, Alexey V and LaJeunesse, Dennis R. and Collazo, Ramon and Ivanisevic, Albena}, year={2018}, month={Sep}, pages={10806–10815} }