Article
Chemistry, Physical
Olga A. Mass, Christopher K. Wilson, German Barcenas, Ewald A. Terpetschnig, Olena M. Obukhova, Olga S. Kolosova, Anatoliy L. Tatarets, Lan Li, Bernard Yurke, William B. Knowlton, Ryan D. Pensack, Jeunghoon Lee
Summary: This study investigates the influence of dye hydrophobicity on the strength of excitonic coupling in squaraine aggregates templated by DNA Holliday Junction. It shows a strong correlation between squaraine hydrophobicity and the strength of excitonic coupling, with dimers of dichloroindolenine squaraine exhibiting the strongest coupling strength. The research provides insights into how dye structures affect excitonic coupling in dye aggregates templated by DNA, offering guidance for the design of exciton-based materials and devices.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Biochemistry & Molecular Biology
German Barcenas, Austin Biaggne, Olga A. A. Mass, William B. B. Knowlton, Bernard Yurke, Lan Li
Summary: This study investigates the effects of dye-DNA interactions on excitonic coupling through molecular dynamics simulations. The results reveal that adjacent dimers exhibit stronger excitonic coupling and weaker dye-DNA interactions compared to transverse dimers. Furthermore, certain dyes with specific functional groups facilitate aggregate packing via hydrophobic effects, leading to enhanced excitonic coupling. This work provides a fundamental understanding of the impacts of dye-DNA interactions on aggregate orientation and excitonic coupling.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Austin Biaggne, Lawrence Spear, German Barcenas, Maia Ketteridge, Young C. Kim, Joseph S. Melinger, William B. Knowlton, Bernard Yurke, Lan Li
Summary: A computational workflow using machine learning, density functional theory, time-dependent density functional theory, and molecular dynamics was established to identify dyes with large transition dipole moments (mu) for excitonic applications. The results demonstrate the effectiveness of this workflow in developing new dyes for excitonic applications.
Article
Chemistry, Multidisciplinary
German Barcenas, Austin Biaggne, Olga A. Mass, Christopher K. Wilson, Olena M. Obukhova, Olga S. Kolosova, Anatoliy L. Tatarets, Ewald Terpetschnig, Ryan D. Pensack, Jeunghoon Lee, William B. Knowlton, Bernard Yurke, Lan Li
Summary: Squaraine dyes, with their favorable electronic and photophysical properties, have attracted considerable attention recently. The impact of substituents on these properties can be studied through both experimental and theoretical methods, potentially providing a foundation for designing rules for excitonic applications.
Article
Chemistry, Multidisciplinary
Matthew S. Barclay, Simon K. Roy, Jonathan S. Huff, Olga A. Mass, Daniel B. Turner, Christopher K. Wilson, Donald L. Kellis, Ewald A. Terpetschnig, Jeunghoon Lee, Paul H. Davis, Bernard Yurke, William B. Knowlton, Ryan D. Pensack
Summary: Molecular excitons play a crucial role in various fields such as light harvesting and organic electronics, with their structure and dynamics being influenced by molecular packing. The addition of rotaxane rings to squaraine dyes templated with DNA can result in an oblique packing arrangement with improved optical properties. This method may be beneficial for optimizing excitonic materials for applications ranging from solar energy conversion to quantum information science.
COMMUNICATIONS CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Alexander P. Demchenko
Summary: The discovery that molecules of organic dyes can undergo significant changes in their light absorption and fluorescence properties when they form regular structures has captivated researchers for over eight decades. Progress in understanding this phenomenon, referred to as H- and J-aggregation, has led to numerous practical applications. In this article, the author shares their personal perspective on the transition of this research area from empirical knowledge to a solid foundation in molecular exciton theory, drawing from their own experiences and interactions with prominent figures. The article also highlights key future trends in the field.
Article
Chemistry, Physical
Elham N. Bifari, Reda M. El-Shishtawy, Si Mohamed Bouzzine, Driss Fadili, Mohamed Hamidi
Summary: Three novel cyanine-based dyes were synthesized by condensation reaction with different donors. These dyes exhibited well-defined absorption in the visible region with low band gap and high absorptivity. Solvatochromic studies showed distinctive stokes shifts and increased shifts with increasing solvent polarity. Electrochemical studies confirmed the suitability of these dyes as sensitizers in dye-sensitized solar cells.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Samuel R. Clowes, Dora M. Rasadean, Tiberiu-M. Gianga, Tamas Javorfi, Rohanah Hussain, Giuliano Siligardi, G. Dan Pantos
Summary: Cyanine dyes can form H- and J-aggregates in water. We discovered that the cyanine dye S0271 can assemble into vortex-induced chiral J-aggregates in water. The chirality of the J-aggregates is determined by the directionality of the vortex. This study used conventional benchtop CD spectropolarimeters and Mueller matrix polarimetry to analyze the aggregates.
Article
Chemistry, Physical
Mohammed Sorour, Kurt A. Kistler, Andrew H. Marcus, Spiridoula Matsika
Summary: Accurate modeling of excitonic coupling in molecules, specifically in the widely used Cy3 dye, is crucial for inferring the structures and dynamics of these systems. The atomic transition charge model provides a high-accuracy and cost-effective way to calculate the excitonic coupling, focusing on generating high-quality atomic transition charges for accurate modeling. Utilizing transition densities and various calculation approaches, the study demonstrated the reliability and effectiveness of the transition electrostatic potential for accurately calculating the excitonic coupling, with comparisons to experimental data and theoretical models.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Chemistry, Multidisciplinary
Tatsuya Takeshita
Summary: The study found that by combining OTES with a photosensitizing dye containing a 1-naphthylamine moiety, the CH-O interaction can be utilized to regulate the geometry of the dye, facilitating electron injection into the conduction band of TiO2.
Article
Chemistry, Physical
M. Vennila, R. Rathikha, S. Muthu, A. Jeelani, R. Niranjana Devi, Ahmad Irfan
Summary: This study probes various parameters and properties of the moroxydine molecule using computational methods, including geometrical properties, spectroscopy, energy gaps, molecular interactions, and drug likeness. Furthermore, molecular docking study is conducted to explore its antiviral activity.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Adithya Kamalakshan, Roselin Ansilda, Sarthak Mandal
Summary: This study demonstrates the control of tubular pseudoisocyanine (PIC) dye J- and H-aggregate formation using lithocholic acid (LCA) as a template, resulting in tunable exciton fluorescence. By adjusting the LCA/PIC molar ratio, the optical properties of the dye aggregates can be switched, providing important guidelines for the design of organic photo-functional materials.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Nanoscience & Nanotechnology
Rodrigo Plaza-Pedroche, M. Paz Fernandez-Liencres, Sonia B. Jimenez-Pulido, Nuria A. Illan-Cabeza, Sylvain Achelle, Amparo Navarro, Julian Rodriguez-Lopez
Summary: The photophysical properties of a series of original compounds were investigated, and the emission control through proton transfer and protonation was demonstrated, showing potential applications in chemical sensing and anti-counterfeiting.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Physical
W. Abisha, D. Arul Dhas, I. Hubert Joe, B. Gunasekaran, S. Sindhusha
Summary: A prospective anti-fungal compound, 2-amino pyridinium nicotinate (2APNA), was synthesized and characterized. Various analysis methods were used to confirm the molecular structure and evaluate the compound's efficacy against fungicidal strains.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Kai Wei, Yanxin Wu, Pengyu Li, Xian Zheng, Chendong Ji, Meizhen Yin
Summary: In this study, a quinoline cyanine (QCy) was developed to construct stable H-aggregated nanoparticles (NPs) and significantly improve photostability and photothermal conversion efficiency (PCE). The resulting QCy NPs showed a spherical structure and high stability, and the formation of H-aggregates greatly enhanced PCE. Moreover, the positive charge of quaternarized quinoline enhanced the photothermal effect, making QCy NPs potential candidates for photoacoustic imaging-guided tumor photothermal therapy.
Article
Engineering, Environmental
Dae Sik Choi, Sohee Lim, Jin-Sung Park, Chang-Ho Kim, Hanju Rhee, Minhaeng Cho
Summary: The article introduces a label-free multi-color coherent anti-Stokes Raman scattering (CARS) microscopy technique that enables separate imaging of internalized MPs and lipid droplets in live cells, providing a new method for studying the cellular transport and cytotoxicity of MPs.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Noh Soo Han, JunWoo Kim, Tai Hyun Yoon, Minhaeng Cho
Summary: Transient absorption spectroscopy of ThT molecules in various solvents using ASOPS with synchronized femtosecond lasers revealed that vibrational coupling strengths are reduced in chlorine-containing solvents, leading to an increase in fluorescence quantum yield. The study demonstrates the potential of NUV-NUV and NUV-NIR ASOPS techniques for investigating ultrafast photochemical reactions in condensed phases.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Sohyun Park, Eunchan Kim, Youngjin Choi, Jiung Jang, Kyungwon Kwak, Minhaeng Cho, Hyo Jae Yoon
Summary: This study investigated the thermoresponse of odd-even effect in self-assembled monolayers (SAMs) of n-alkanethiolates on template-stripped gold using contact angle goniometry and vibrational sum frequency generation spectroscopy. The results showed that the odd-even effect disappeared upon heating in liquid-like SAMs, indicating increased structural disorder. However, in wax- and solid-like SAMs, opposite thermoresponse was observed for odd and even molecules, mitigating the odd-even effect.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Minhaeng Cho
Summary: Time-resolved IR pump-probe and 2D-IR spectroscopy are valuable tools to study ultrafast processes in solutions. However, long-time signals are often obscured by molecular photothermal effects. In this study, a model based on the thermal diffusion equation is used to describe the solute-solvent energy transfer process and analyze the molecular photothermal effects on IR-PP and 2D-IR signals. The results show that the heat dissipation from vibrationally excited molecules to the surroundings can provide information about the mechanisms involved in the energy transfer process.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Kwang Jin Lee, Rajesh Bera, Jooyoun Kang, Kwang Seob Jeong, Minhaeng Cho
Summary: The study investigates the radiative decay processes of semiconductor nanoplatelets (NPLs) and introduces the use of metamaterial structures for controlling their excitonic properties, especially in the edge-up configuration. The results show that while metamaterials have little effect on the exciton lifetime of face-down NPLs, they significantly reduce the exciton lifetime of edge-up NPLs. This can be explained by orientation-dependent image dipole interactions, where metamaterials inversely affect the net transition dipole moments of the two NPL configurations. These findings will facilitate the development of optoelectronic applications requiring active manipulation of exciton lifetimes.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Dae Sik Choi, Hanju Rhee, Minhaeng Cho
Summary: This study demonstrates the usefulness of time- and frequency-resolved coherent anti-Stokes Raman scattering (CARS) spectroscopy with a time-delayed picosecond probe pulse in resolving the congested C-H stretching vibrational peaks of condensed organic matters. The results show that overlapping vibrational peaks of polymeric films and oily liquids, which are not easily distinguishable in spontaneous Raman spectroscopy, can be separated in the time-resolved CARS (tr-CARS) spectra. The enhanced spectral resolution is attributed to the effective suppression of faster Raman free-induction-decay components and instantaneous nonresonant background signals.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Nanoscience & Nanotechnology
Youngjin Choi, Hyeng Jin Kim, Eunchan Kim, Huiyeong Kang, Junhyeok Park, Young Rag Do, Kyungwon Kwak, Minhaeng Cho
Summary: Area-selective atomic layer deposition (AS-ALD) of insulating metallic oxide layers can be improved by enhancing the inhibition efficiency of alkanethiol self-assembled monolayers (SAMs) through a discontinuously temperature-controlled ALD technique. Temperature-dependent vibrational sum-frequency-generation spectroscopy reveals that the thermally induced formation of gauche defects in the SAMs deteriorates the inhibition efficiency. By incorporating self-healing and dissipation of thermally induced stress on the SAM structure, 60 ALD cycles (6.6 nm) are achieved, demonstrating the potential of this method to enhance the efficiency of AS-ALD as a nanopatterning technique.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Nanoscience & Nanotechnology
Debabrata Chakraborty, Rupak Chatterjee, Saptarsi Mondal, Sabuj Kanti Das, Vipin Amoli, Minhaeng Cho, Asim Bhaumik
Summary: This study successfully synthesized nitrogen-rich porous organic polymers (POPs) with high adsorption capacity and selectivity under high pressure, high temperature, and humidity conditions, which show great potential for precombustion CO2 capture and H-2 purification.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Chaiho Lim, Jonggu Jeon, Kwanghee Park, Chungwen Liang, Yeongseok Chae, Kyungwon Kwak, Minhaeng Cho
Summary: Understanding chemical exchange in carbonate-based electrolytes employed in Li-ion batteries is crucial for elucidating ion transport mechanisms. In this study, comprehensive investigations using 2D-IR spectroscopy and molecular dynamics simulations revealed that the observed cross-peaks in the picosecond 2D-IR spectra of LIB electrolytes predominantly arise from intermolecular vibrational excitation transfer processes between the carbonyl groups of Li-bound and free carbonate molecules. The limitations of using a picosecond 2D-IR spectroscopic technique to study chemical exchange and intermolecular vibrational excitation transfer processes were also discussed.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Analytical
Chanjong Park, Jong Min Lim, Seok-Cheol Hong, Minhaeng Cho
Summary: Infrared photothermal microscopy is a non-invasive and label-free imaging technique that has been used in various research areas. However, the narrow spectral width of the preferred excitation light source limits the molecular information obtained. Here, we introduce a two-color IR photothermal microscopy technique that overcomes this limitation and allows for the imaging and differentiation of two chemical species in live cells.
Article
Chemistry, Physical
Suin Choi, So Yeon Chun, Kyungwon Kwak, Minhaeng Cho
Summary: In this study, droplet formation and protein fibrillation were monitored using micro-Raman spectroscopy in combination with DIC microscopy, revealing changes in the hydration environment in the protein droplets during LLPS. These findings provide valuable insights into the molecular mechanisms of LLPS and LSPT processes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Kwang Jin Lee, Rajesh Bera, Jooyoun Kang, Kwang Seob Jeong, Minhaeng Cho
Summary: The fundamental characteristics of semiconductor nanoplatelets (NPLs) and their optical properties can be easily controlled by assembling highly anisotropic NPLs into stacks. The introduction of metamaterial structures allows for the manipulation of excitonic properties, particularly in edge-up NPLs where a significant reduction in exciton lifetime is observed. These findings will facilitate the development of optoelectronic applications that require active manipulation of exciton lifetimes.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Multidisciplinary Sciences
Jin-Sung Park, Il-Buem Lee, Hyeon-Min Moon, Seok-Cheol Hong, Minhaeng Cho
Summary: Researchers used a label-free interferometric scattering microscope to track cargo transportation in cells and discovered that cells employ strategies similar to human transportation systems to overcome transportation hurdles.
NATURE COMMUNICATIONS
(2023)
Review
Chemistry, Physical
Minhaeng Cho
Summary: This article provides a detailed theoretical description of pure dephasing and quantum decoherence, and directly compares their connections. It is helpful for gaining a deeper understanding of ultrafast spectroscopy from a quantum mechanical perspective and the wave-particle duality of quantum objects interacting with their surrounding environments.
CHEMICAL PHYSICS REVIEWS
(2023)