ACS Nanoscience AuPub Date : 2026-02-04eCollection Date: 2026-04-15DOI: 10.1021/acsnanoscienceau.5c00184
Andrés Serrano-Freijeiro, Marta Zarzuela-Amor, Carlos Renero-Lecuna, Manuel Obelleiro-Liz, Víctor F Martín, Ignacio Pérez-Juste, José M Taboada, Juan Casado, Isabel Pastoriza-Santos, Jorge Pérez-Juste, Sara Bals, Luis M Liz-Marzán
{"title":"Chiral Au@Ag Core-Shell Nanoparticles for Enantioselective SERS Detection of Bio-Relevant Chiral Molecules.","authors":"Andrés Serrano-Freijeiro, Marta Zarzuela-Amor, Carlos Renero-Lecuna, Manuel Obelleiro-Liz, Víctor F Martín, Ignacio Pérez-Juste, José M Taboada, Juan Casado, Isabel Pastoriza-Santos, Jorge Pérez-Juste, Sara Bals, Luis M Liz-Marzán","doi":"10.1021/acsnanoscienceau.5c00184","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.5c00184","url":null,"abstract":"<p><p>Chiral Au@Ag core-shell nanoparticles were synthesized by asymmetric Ag deposition on premade chiral Au nanorods and employed for enantioselective surface-enhanced Raman scattering (SERS) of bio-relevant chiral molecules. Electron tomography revealed nanoscale asymmetry arising during Ag shell growth, while circular dichroism spectroscopy and electromagnetic simulations confirmed strong optical activity. Differential SERS under circularly polarized light (CPL-SERS) demonstrated distinct spectral responses for <i>L</i>- and <i>D</i>-3,4-dihydroxyphenylalanine (<i>L</i>/<i>D</i>-DOPA), achieving enantiomeric discrimination exceeding 95% accuracy through principal-component linear-discriminant analysis. The combination of experimental and computational results reveals a direct structure-chirality-sensing correlation and establishes Au@Ag core-shell nanostructures as versatile platforms for ultrasensitive chiral detection.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 2","pages":"313-323"},"PeriodicalIF":6.3,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13087963/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147724039","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Nanoscience AuPub Date : 2026-01-23eCollection Date: 2026-04-15DOI: 10.1021/acsnanoscienceau.5c00183
Gan Chen, Dingcheng Zhu, Yaofeng Zhao, Timothy K Soh, Ruixia Wang, Neus Feliu, Wolfgang J Parak
{"title":"Uptake of Nanoparticles as a Model System for Viruses under the Presence of Chloroquine.","authors":"Gan Chen, Dingcheng Zhu, Yaofeng Zhao, Timothy K Soh, Ruixia Wang, Neus Feliu, Wolfgang J Parak","doi":"10.1021/acsnanoscienceau.5c00183","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.5c00183","url":null,"abstract":"<p><p>In the context of fighting SARS-CoV-2 infection, chloroquine and its derivatives have been suggested as treatments. It has been argued that the therapeutic effect is based on the modulation of viral uptake and fate. Similarities to the endocytosis of nanoparticles (NPs) are used here to recapitulate the effect of chloroquine on this process. The possibilities and limits of this approach are discussed. In particular, it is demonstrated that the uptake of NPs can be diminished in the presence of toxic chloroquine concentrations. Chloroquine further reduced acidification of endosomes/lysosomes, which may interfere with the optical readout of fluorescence-labeled NPs. Furthermore, depending on the system used, chloroquine can either increase or decrease transfection upon particle-based DNA delivery.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 2","pages":"305-312"},"PeriodicalIF":6.3,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13087937/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147723852","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Nanoscience AuPub Date : 2026-01-13eCollection Date: 2026-04-15DOI: 10.1021/acsnanoscienceau.5c00162
Diego López-Alcalá, Alberto M Ruiz, Andrei Shumilin, José J Baldoví
{"title":"Confinement-Induced One-Dimensional Magnetism in CrSBr Chains via Carbon Nanotube Encapsulation.","authors":"Diego López-Alcalá, Alberto M Ruiz, Andrei Shumilin, José J Baldoví","doi":"10.1021/acsnanoscienceau.5c00162","DOIUrl":"10.1021/acsnanoscienceau.5c00162","url":null,"abstract":"<p><p>Encapsulating low-dimensional magnetic materials within carbon nanotubes (CNTs) offers a compelling route to stabilize unconventional magnetic states and engineer quantum functionalities at the limit of miniaturization. In this work, we systematically investigate the structural, electronic, and magnetic properties of one-dimensional (1D) CrSBr chains encapsulated within CNTs by using density functional theory (DFT) and spin dynamics simulations. We demonstrate the structural stability of CrSBr@CNT, where confinement and charge transfer cooperate to stabilize ferromagnetism in the 1D limit, which persists up to 50 K. These findings position CrSBr@CNT as a model platform for realizing 1D magnetism and establish CNT encapsulation as a powerful strategy for exploring emergent quantum spin phenomena and engineering nanoscale spintronic devices.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 2","pages":"208-215"},"PeriodicalIF":6.3,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13087935/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147723970","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Nanoscience AuPub Date : 2026-01-10eCollection Date: 2026-04-15DOI: 10.1021/acsnanoscienceau.5c00192
Guanchu Chen, Brendan C Sheehan, Ilija Nikolov, James W Logan, Charles A Collett, Gajadhar Joshi, Grigore A Timco, Jillian E Denhardt, Kevin R Kittilstved, Richard E P Winpenny, Jonathan R Friedman
{"title":"Enhancing Coherence with a Clock Transition and Dynamical Decoupling in the Cr<sub>7</sub>Mn Molecular Nanomagnet.","authors":"Guanchu Chen, Brendan C Sheehan, Ilija Nikolov, James W Logan, Charles A Collett, Gajadhar Joshi, Grigore A Timco, Jillian E Denhardt, Kevin R Kittilstved, Richard E P Winpenny, Jonathan R Friedman","doi":"10.1021/acsnanoscienceau.5c00192","DOIUrl":"10.1021/acsnanoscienceau.5c00192","url":null,"abstract":"<p><p>Molecular magnets are attractive as spin qubits due to their chemical tunability, addressability through electron-spin resonance techniques, and long coherence times. Clock transitions (CTs), for which the system is immune to the effect of magnetic-field fluctuations to first order, provide a method to enhance the coherence time <i>T</i> <sub>2</sub>, and to reveal mechanisms of decoherence that are not due to such fluctuations. Here we investigate two variants of Cr<sub>7</sub>Mn, a spin-1 molecular nanomagnet, at fields near a zero-field CT. We find that at temperatures ≤2 K, <i>T</i> <sub>2</sub> ∼ 1 μs at the CT using a Hahn-echo pulse sequence. Away from the CT, electron-spin-echo envelope modulation (ESEEM) oscillations due to coupling to nuclear spins are observed and have a <i>T</i> <sub>2</sub> as high as 1.35 μs, indicating a distinct mechanism of coherence preservation. Dynamical decoupling with the CPMG pulse sequence yields <i>T</i> <sub>2</sub> ∼ 2.8 μs at the CT and up to ∼3.6 μs in the ESEEM regime along with a demodulation of the oscillatory behavior. The experimental values of <i>T</i> <sub>2</sub> are largely independent of the degree of dilution of the molecules in solvent or whether the solvent is deuterated, indicating that much of the decoherence and ESEEM arises from sources within the molecules themselves. To account for decoherence, we develop a model that includes not only field fluctuations but also fluctuations in the CT transition frequency itself. Our results can be well explained by treating the environment as a combination of noise at the nuclear Larmor precession frequency and 1/<i>f</i> noise in the transverse anisotropy parameter <i>E</i>. Such information about the microscopic origins of decoherence can aid the rational design of molecular-based spin qubits.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 2","pages":"324-338"},"PeriodicalIF":6.3,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13087941/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147724046","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Nanoscience AuPub Date : 2026-01-08eCollection Date: 2026-04-15DOI: 10.1021/acsnanoscienceau.5c00142
Xabier Larrañaga, Sophia C Bittinger, Uxue Aizarna-Lopetegui, Richard Schönlein, Brian J Rodriguez, Jose R Sarasua, Ester Zuza, Dorleta Jimenez de Aberasturi
{"title":"Gold Nanorods as Effective Modulators of Shape Memory Behavior in Physiological Conditions of PLA/PEG Blends.","authors":"Xabier Larrañaga, Sophia C Bittinger, Uxue Aizarna-Lopetegui, Richard Schönlein, Brian J Rodriguez, Jose R Sarasua, Ester Zuza, Dorleta Jimenez de Aberasturi","doi":"10.1021/acsnanoscienceau.5c00142","DOIUrl":"10.1021/acsnanoscienceau.5c00142","url":null,"abstract":"<p><p>The shape memory effect (SME) in poly-(l-lactide) (PLA) has been widely studied for the development of smart bioabsorbable medical devices. Shape recovery in PLA occurs at its glass transition temperature (<i>T</i> <sub>g</sub>) at 60 °C and hence, its safe application under physiological conditions remains challenging. In this study, we demonstrate the tunability of the <i>T</i> <sub>g</sub> of PLA to a physiologically safe range of 32-42 °C by blending it with 6-10 wt % low-molecular weight poly-(ethylene glycol) (PEG). We characterize the blends using differential scanning calorimetry (DSC) and dynamic mechanical thermal analysis and study their shape memory behavior. From three programming strain levels studied, 50, 75 and 100%, the 8 wt % PEG-containing blend showed the greatest recovery capabilities, reaching 75% shape recovery ratio at 37 °C, up to over 95% at 40 °C. This blend showed the overall optimal balance between mechanical properties and shape recovery performance. Finally, we explore the remote SME activation by incorporating plasmonic gold nanorods (AuNRs) as heat transducers to the blend and demonstrate selective near-infrared (NIR) light-triggered shape recovery. We demonstrate that incorporating plasmonic anisotropic nanoparticles as key modulators in these polymeric blends enables rapid and selective recovery under biologically safe conditions, making them suitable for biological applications. The study highlights the potential of developing shape memory medical devices based on PLA/PEG and AuNRs, to be safely activated by an external stimulus in physiological conditions.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 2","pages":"250-262"},"PeriodicalIF":6.3,"publicationDate":"2026-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13087950/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147723960","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Nanoscience AuPub Date : 2026-01-07eCollection Date: 2026-04-15DOI: 10.1021/acsnanoscienceau.5c00130
Sai Deepika Reddy Yaram, Alexa Bostic, Ashley Smalley, Soumya K Srivastava
{"title":"Simulated Microgravity Induces Rapid Dielectric Shifts in Erythrocytes of Pancreatic Cancer Patients.","authors":"Sai Deepika Reddy Yaram, Alexa Bostic, Ashley Smalley, Soumya K Srivastava","doi":"10.1021/acsnanoscienceau.5c00130","DOIUrl":"10.1021/acsnanoscienceau.5c00130","url":null,"abstract":"<p><p>Pancreatic ductal adenocarcinoma (PDAC) is among the most lethal cancers, often diagnosed at advanced stages due to the absence of early symptoms and reliable screening tools. Recent studies suggest that systemic changes in cancer, including inflammation, metabolic alterations, and circulating biomarkers, can affect red blood cells (RBCs) or erythrocytes. Although RBCs lack nuclei, those from cancer patients exhibit measurable biophysical and biochemical alterations, offering potential for novel diagnostic approaches. However, it is not known how simulated microgravity might further modulate these cancer-associated RBC dielectric properties, and the effects of microgravity on RBCs from PDAC patients remain largely unexplored. In this study, we investigate the impact of simulated microgravity (SMG) on the dielectric properties of human red blood cells from pancreatic ductal adenocarcinoma (PDAC) patients and healthy donors as controls. Cells were exposed to SMG using a clinostat for 3 and 6 h in a suspending medium with a fixed conductivity of 0.01 S/m. Dielectrophoresis (DEP), a label-free electrokinetic technique, was used to analyze cellular responses to nonuniform electric fields ranging from 0.5 kHz to 45 MHz at a constant peak-to-peak voltage of 10 <i>V</i> <sub>pp</sub>. Significant biophysical changes were observed as early as 3 h of SMG exposure. Specifically, a statistically significant increase in specific membrane conductance (<i>G</i> <sub>spmem</sub>) was obtained (<i>p</i> < 0.0001), and both the force of maximum positive DEP (<i>F</i> <sub>pDEP</sub>) and the second crossover frequency (<i>f</i> <sub><i>x</i></sub> <sub>o2</sub>) exhibited consistent downshifts, suggesting reduced cytoplasmic conductivity and altered membrane capacitance. Receiver operating characteristic (ROC) analysis indicated that specific membrane capacitance (<i>C</i> <sub>spmem</sub>) provides moderate discriminative performance as a candidate SMG-responsive biomarker. These findings demonstrate that RBCs from PDAC patients undergo rapid dielectric changes under simulated microgravity, and underscore the utility of DEP for noninvasive, real-time monitoring of cancer-related biophysical alterations, with applications in both cancer research and space medicine.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 2","pages":"224-234"},"PeriodicalIF":6.3,"publicationDate":"2026-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13087936/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147723745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Nanoscience AuPub Date : 2025-12-31eCollection Date: 2026-04-15DOI: 10.1021/acsnanoscienceau.5c00164
Ihsan Çaha, Aqrab Ul Ahmad, Francis Leonard Deepak
{"title":"Confinement-Controlled Morphology and Stability of One-Dimensional CrI<sub>3</sub> Nanotubes.","authors":"Ihsan Çaha, Aqrab Ul Ahmad, Francis Leonard Deepak","doi":"10.1021/acsnanoscienceau.5c00164","DOIUrl":"10.1021/acsnanoscienceau.5c00164","url":null,"abstract":"<p><p>Integrating monolayers derived from 2D van der Waals (vdW) magnetic materials into next-generation technological applications remains a significant challenge due to their structural and magnetic instability issues. Template-assisted encapsulation is a potential route for the growth of stable 2D monolayers aimed at designing novel 1D heterostructures, opening new avenues for studying low-dimensional quantum effects and spin-related phenomena. In this study, we explored the diameter-dependent encapsulation of 2D CrI<sub>3</sub> crystals using multiwalled carbon nanotubes (MWCNTs) as nanoscale host templates. Advanced microscopic analysis revealed distinct structural transitions, ranging from internal nanorod encapsulation to external shell formation, directly influenced by the host nanotube diameter (2-20 nm). Furthermore, statistical analysis of structural morphologies indicates that CrI<sub>3</sub> nanorods preferentially form within MWCNTs with inner diameters from 2 to 7 nm, while single-walled CrI<sub>3</sub> nanotubes are stabilized in CNTs with diameters from 3 to 10 nm. For host CNTs exceeding ∼10 nm in diameter, CrI<sub>3</sub> predominantly forms surface coatings rather than confined one-dimensional structures. In situ electron beam irradiation demonstrates the superior structural stability of single-walled CrI<sub>3</sub> confined within MWCNTs, while externally coated CrI<sub>3</sub> undergoes decomposition into metallic Cr clusters. Prolonged irradiation induces a morphological transformation of CrI<sub>3</sub> nanotubes into nanorods. Encapsulated structures also remain stable under long-term ambient conditions, highlighting the dual protective role of CNT confinement. These insights lay the groundwork for engineering robust, tunable 1D magnetic heterostructures of CrI<sub>3</sub> for spintronic and data storage applications.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 2","pages":"294-304"},"PeriodicalIF":6.3,"publicationDate":"2025-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13087931/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147724048","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Nanoscience AuPub Date : 2025-12-31eCollection Date: 2026-04-15DOI: 10.1021/acsnanoscienceau.5c00180
Cequn Li, Le Yi, Kalana D Halanayake, Jessica L Thompson, Yingdong Guan, Kenji Watanabe, Takashi Taniguchi, Zhiqiang Mao, Danielle Reifsnyder Hickey, Morteza Kayyalha, Jun Zhu
{"title":"Building 3D Superconductor-Based Josephson Junctions Using a via Transfer Approach.","authors":"Cequn Li, Le Yi, Kalana D Halanayake, Jessica L Thompson, Yingdong Guan, Kenji Watanabe, Takashi Taniguchi, Zhiqiang Mao, Danielle Reifsnyder Hickey, Morteza Kayyalha, Jun Zhu","doi":"10.1021/acsnanoscienceau.5c00180","DOIUrl":"10.1021/acsnanoscienceau.5c00180","url":null,"abstract":"<p><p>The coupling of superconductivity to unconventional materials may lead to novel quantum states and potential applications. Controlling the quality of the superconductor-normal metal interface is of crucial importance to the understanding and engineering of the superconducting proximity effect. In many cases, conventional lithography-based deposition methods introduce undesirable effects. Using the concept of via contact and dry transfer, we have constructed smooth, van der Waals-like contact between 3D superconducting NbN/Pd and graphene with low contact resistance of approximately 130 Ω μm. Gate-tunable supercurrent, Fraunhofer pattern, and Andreev reflections are observed, the properties of which can be understood using an induced superconducting gap Δ' in this planar contact geometry. We discuss potential mechanisms impacting the magnitude of Δ' and suggest ways of further increasing the proximity coupling. This gentle, lithography-free contacting method can be applied to air- and damage-sensitive surfaces to engineer novel superconducting heterostructures.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 2","pages":"216-223"},"PeriodicalIF":6.3,"publicationDate":"2025-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13087802/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147723982","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Role of Second Halogen Atoms of Dihalobenzene in Controlling the Photoluminescence Properties of Single-Walled Carbon Nanotubes by Reductive Arylation.","authors":"Yutaka Maeda, Atsushi Suwa, Kentaro Kawada, Pei Zhao, Masahiro Ehara, Yasuhiro Suzuki, Yui Iguchi, Yasunari Taki, Yui Konno, Michio Yamada, Hitoshi Kasai, Koji Kimoto, Koji Harano","doi":"10.1021/acsnanoscienceau.5c00152","DOIUrl":"10.1021/acsnanoscienceau.5c00152","url":null,"abstract":"<p><p>The chemical functionalization of single-walled carbon nanotubes (SWCNTs) is effective for controlling their near-infrared (NIR) photoluminescence (PL) wavelength by locally modulating the band gap energy of the SWCNTs. The PL efficiency is dependent on the degree of functionalization. Herein, SWCNTs were reductively arylated using sodium naphthalenide and halo- and dihalobenzene derivatives to control their PL properties. (6,5) SWCNTs functionalized with iodobenzene exhibited two new PL peaks at 1100 and 1230 nm. In contrast, the arylated SWCNTs prepared by using fluorobenzene and chlorobenzene exhibited a single new PL peak at 1100 nm. Furthermore, the arylated SWCNTs prepared using dihalobenzene derivatives except for 1,2-difluorobenzene exhibited a new PL peak at 1230 nm, which was dependent on the type and number of halogen atoms. The relative stabilities and transition energies of the model compounds for the arylated SWCNTs were estimated by using theoretical calculations. These results suggest that their transition energies can be tuned by the binding configuration and that the relative stability of the binding configuration varies depending on the addenda. The arylated SWCNTs were chirally separated, and an analysis of the optical properties of the separated SWCNT adducts revealed that this arylation reaction is effective for tuning the PL wavelength and intensity of (6,4), (7,3), (8,3), and (7,5) SWCNTs with different chiral indices in the NIR region. The addenda on the SWCNTs were successfully observed using transmittance electron microscopy by isolating the functionalized (6,5) SWCNTs and subsequent thermal treatment.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 2","pages":"270-280"},"PeriodicalIF":6.3,"publicationDate":"2025-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13087964/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147723737","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Nanoscience AuPub Date : 2025-12-29eCollection Date: 2026-04-15DOI: 10.1021/acsnanoscienceau.5c00151
Ramanish Singh, Nathan Wang, Henry Wolters, Prerna, Michael Tsapatsis, J Ilja Siepmann, Daniela Kohen
{"title":"First-Principles Molecular Dynamics Simulations of Ammonia Adsorption onto MFI Zeolite Nanosheets.","authors":"Ramanish Singh, Nathan Wang, Henry Wolters, Prerna, Michael Tsapatsis, J Ilja Siepmann, Daniela Kohen","doi":"10.1021/acsnanoscienceau.5c00151","DOIUrl":"10.1021/acsnanoscienceau.5c00151","url":null,"abstract":"<p><p>MFI zeolite nanosheet membranes are promising candidates for ammonia separation from nitrogen and hydrogen gases, yet questions remain on the origin of their high selectivity. Silanols, Si-OH, are present in high concentration at the surface of zeolite nanosheets, and force-field-based simulations indicate that surface adsorption at the silanols contributes to selectivity. Acidic silanol groups can chemically react with ammonia via transfer of a proton to form ammonium ions, which may further contribute to the ability of zeolite nanosheet membranes to separate ammonia from other gases. In this work, we used first-principles molecular dynamics techniques to simulate ammonia's behavior within stacked MFI zeolite nanosheets. We found that at 523 K and a loading corresponding to 35 bar, conditions desired for the ammonia separation, about 30% of ammonia reacts with surface silanols. Our work explored H-bonding and proton transfer within this system.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 2","pages":"263-269"},"PeriodicalIF":6.3,"publicationDate":"2025-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13087932/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147724044","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}