Article
Chemistry, Physical
Anna R. Johnston, Gregory M. Pitch, Eris D. Minckler, Ivette G. Mora, Vitor H. Balasco Serrao, Eric A. Dailing, Alexander L. Ayzner
Summary: This article introduces a conjugated polyelectrolyte that can undergo liquid/liquid phase separation in water, and discusses the behavior of excitonic states in the liquid coacervate phase. This research is significant for understanding liquid/liquid phase separation and for potential applications in light harvesting.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Mohammed I. Sorour, Andrew H. Marcus, Spiridoula Matsika
Summary: This study simulates the vibronic spectrum of the Cy3 dye and explains the origin of the experimental signatures in its linear absorption spectrum. It finds that the spectral features are related to the energy of the excitonic state and the polarity of the solvent.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Abhishek Sirohiwal, Dimitrios A. Pantazis
Summary: Photosynthetic pigment-protein complexes harness solar energy efficiently, mainly through structured electrostatic environments that tune the spectral properties of embedded pigments. The study explores the spatial principles of electrostatic preorganization for different protein matrices and characterizes the differences in electrostatic potentials for various photosynthetic pigments. The findings suggest unique spatial profiles and modes of electrostatic tuning for each pigment, providing insights for protein design and engineering with implications for spectral tuning in biological systems.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Engineering, Electrical & Electronic
Miguel Poveda-Garcia, Jose Luis Gomez-Tornero
Summary: This paper explains the anomalous dispersion observed in wideband Fabry-Perot antennas formed by multiple coupled cavities by modal coupling between several leaky waves. It also describes the contribution of these coupled leaky waves to the total interference pattern and the enhancement in the radiation pattern bandwidth. The theoretical results are supported by experimental results.
IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION
(2022)
Article
Chemistry, Multidisciplinary
Verena Reisecker, David Kuhness, Georg Haberfehlner, Michele Brugger-Hatzl, Robert Winkler, Anna Weitzer, David Loibner, Martina Dienstleder, Gerald Kothleitner, Harald Plank
Summary: This study demonstrates the use of Focused Electron Beam Induced Deposition (FEBID) for the controlled fabrication and tuning of plasmonically active 3D nanostructures. The findings show that FEBID, combined with corresponding simulations, allows for on-demand spectral tuning of the plasmonic response.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Physical
Sanjoy Patra, Vivek Tiwari
Summary: This study proposes effective normal modes for excitonically coupled aggregates and expands the idea of mediated energy transfer to larger aggregates. The results demonstrate the importance of vibronic resonance and weak mediated electronic coupling in enhancing energy transfer selectivity.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Palas Roy, Giovanni Bressan, Jacob Gretton, Andrew N. Cammidge, Stephen R. Meech
Summary: This study reports the solvent polarity-dependent ultrafast excited state dynamics of mu-OSubPc(2), demonstrating that charge separation occurs under the control of solvent orientational relaxation in polar solvents.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Sanjoy Patra, Amitav Sahu, Vivek Tiwari
Summary: This paper investigates the role of vibronic resonance in energy transfer and proposes a method to better understand vibronically enhanced energy transfer through effective normal modes. The study finds that bringing uncoupled sites into vibronic resonance can convert traps into shuttles for energy transfer.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Biochemistry & Molecular Biology
Andrey Nikolaev, Anna Yudenko, Anastasia Smolentseva, Andrey Bogorodskiy, Fedor Tsybrov, Valentin Borshchevskiy, Siarhei Bukhalovich, Vera V. Nazarenko, Elizaveta Kuznetsova, Oleg Semenov, Alina Remeeva, Ivan Gushchin
Summary: Researchers have developed a palette of 22 fluorescent tags based on the LOV domain, allowing for fine tuning of the emission wavelength range from 486 to 512 nm. They have demonstrated the applications of these tags in multi-color imaging of bacteria and mammalian cells, highlighting their potential in fluorescence microscopy.
JOURNAL OF BIOLOGICAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Youngsin Park, Guanhua Ying, Atanu Jana, Vitaly Osokin, Claudius C. Kocher, Tristan Farrow, Robert A. Taylor, Kwang S. Kim
Summary: This study focuses on the observation and control of transverse electromagnetic (TEM) modes in inorganic perovskite lasers, demonstrating the tuning of emission wavelength through pump power and temperature. The research highlights the ability to maintain a constant full width at half maximum (FWHM) without mode-hopping over the entire tuning range.
Article
Computer Science, Information Systems
T. R. Vijaya Lakshmi, Ch. Venkata Krishna Reddy, Padmavathi Kora, K. Swaraja, K. Meenakshi, Ch. Usha Kumari, L. Pratap Reddy
Summary: Due to rapid urbanization, agriculture drought, and environmental pollution, significant efforts have been focused on land use and land cover (LULC) multi-spectral scene classification. Identifying the changes in land use and land cover can facilitate updating the geographical maps. The present work has focused on considering the fraction of multi-spectral data (EuroSAT data) and evaluated the exemplary CNN architectures such as shallow network (VGG16) and deep network (ResNet152V2) with different tuning variants along with the additional layers prior to classification layer to improve the optimal training of the networks to classify the multi-spectral data. The performance of the thirteen spectral bands of EuroSAT dataset that contain ten scene classes of land use and land cover were analyzed band-wise and combination of spectral bands. For the scene class 'Sea & lake' the best accuracy obtained was 96.17% with individual band B08A and 95.7% with Color Infra Red (CIR) band combination. The analysis provided in this work enables the remote sensing research community to boost performance even if the multi-spectral dataset size is small.
MULTIMEDIA TOOLS AND APPLICATIONS
(2023)
Article
Biochemistry & Molecular Biology
Mariano Curti, Valentin Maffeis, Luis Gustavo Teixeira Alves Duarte, Saeed Shareef, Luisa Xiomara Hallado, Carles Curutchet, Elisabet Romero
Summary: Pigment-protein complexes in photosynthesis achieve efficient charge separation through the delocalization of excited states and charge-transfer processes. Bioinspired artificial systems based on de novo designed proteins provide a versatile toolbox for manipulating chromophores, but maintaining closely spaced chromophores is a challenge. Through molecular dynamics simulations, we optimized an artificial protein to enhance its binding capacity for a chlorophyll derivative, resulting in complexes with closely spaced and strongly interacting dimers. Spectroscopic analysis and computational modeling confirmed the excitonic coupling and charge-transfer state mixing. This study may lead to the rational design of chromophore-protein complexes with advanced functionalities.
Article
Physics, Particles & Fields
A. Bernal, J. A. Casas, J. M. Moreno
Summary: The Two-Higgs Doublet Model (2HDM) is a popular extension of the Higgs sector, but it faces two potential fine-tuning problems related to electroweak breaking and alignment with the SM Higgs boson. This study quantifies the fine-tunings and provides analytical expressions for both the initial parameters and physical parameters. It also reveals that the severe fine-tunings occur in different regions of the parameter space, and a remarkable trend is observed where large tan beta values mitigates the fine-tunings. Numerical analysis of representative scenarios confirms these findings.
EUROPEAN PHYSICAL JOURNAL C
(2022)
Article
Engineering, Electrical & Electronic
Quoc Hung Dang, Shengjian Jammy Chen, Damith Chinthana Ranasinghe, Christophe Fumeaux
Summary: This study presents a reconfigurable wearable textile antenna with a wide frequency tuning range. Frequency agility is achieved by adding a coplanar reconfiguration module to a planar inverted-F antenna (PIFA), which is optimized parametrically using a varactor diode for maximum tuning range.
IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION
(2021)
Article
Engineering, Electrical & Electronic
Daniele Inserra, Guangjun Wen
Summary: A compact and low-profile metal mountable tag device for UHF RFID applications is designed using a PIFA structure. The tag structure includes three lumped elements and a U-shaped slot for post-manufacturing tuning, making it possible to easily restore the design working frequency.
IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION
(2021)
Article
Plant Sciences
Jevgenij Chmeliov, Gediminas Trinkunas, Herbert van Amerongen, Leonas Valkunas
PHOTOSYNTHESIS RESEARCH
(2016)
Article
Chemistry, Physical
Shazia Farooq, Jevgenij Chmeliov, Gediminas Trinkunas, Leonas Valkunas, Herbert van Amerongen
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2016)
Article
Multidisciplinary Sciences
Margus Ratsep, Renata Muru, Arvi Freiberg
NATURE COMMUNICATIONS
(2018)
Article
Chemistry, Multidisciplinary
Jevgenij Chmeliov, Gediminas Trinkunas, Herbert van Amerongen, Leonas Valkunas
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2014)
Article
Chemistry, Multidisciplinary
Marijonas Tutkus, Parveen Akhtar, Jevgenij Chmeliov, Fanni Gorfol, Gediminas Trinkunas, Petar H. Lambrev, Leonas Valkunas
Article
Chemistry, Physical
Margus Ratsep, Juha Matti Linnanto, Arvi Freiberg
JOURNAL OF PHYSICAL CHEMISTRY B
(2019)
Article
Chemistry, Physical
Margus Ratsep, Juha Matti Linnanto, Renata Muru, Malgorzata Biczysko, Jeffrey P. Reimers, Arvi Freiberg
JOURNAL OF CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Erko Jalviste, Kou Timpmann, Manoop Chenchiliyan, Liina Kangur, Michael R. Jones, Arvi Freiberg
JOURNAL OF PHYSICAL CHEMISTRY B
(2020)
Article
Biochemistry & Molecular Biology
Kristjan Leiger, Juha Matti Linnanto, Arvi Freiberg
Article
Biochemistry & Molecular Biology
Kou Timpmann, Margus Ratsep, Liina Kangur, Alexandra Lehtmets, Zheng-Yu Wang-Otomo, Arvi Freiberg
Summary: This study demonstrates that the binding of Ca2+ ions to the LH1 core light-harvesting pigment-protein complex significantly enhances couplings between the bacteriochlorophyll pigments, explaining the record spectral red-shift.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Physical
Kou Timpmann, Juha Matti Linnanto, Dheerendra Yadav, Liina Kangur, Arvi Freiberg
Summary: The denaturation of membrane proteins under high pressure was investigated, revealing the critical role of protein structure in this process. The study found correlations between structural changes and protein fluorescence in mutants with low pressure resilience, highlighting the importance of protein conformation in pressure-induced denaturation.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Chemistry, Physical
Kou Timpmann, Liina Kangur, Arvi Freiberg
Summary: This study investigates the destabilization of multiple Ca2+ binding sites in cyclic LH1 light-harvesting membrane chromoprotein complexes from two Ca-containing sulfur purple bacteria using hydrostatic high-pressure perturbation spectroscopy. The pressure-induced denaturation of the complexes is found to be cooperative, involving multiple Ca2+ binding sites and irreversible. The observed hysteresis in spectral and kinetic characteristics suggests an asymmetry in relevant free energy landscapes. The phase transition pressure for the complexes from Thiorhodovibrio strain 970 is evaluated to be approximately 1.9 kbar based on the pressure dependence of biphasic kinetics observed in a time range from minutes to 100 hours.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Physics, Multidisciplinary
G. Trinkunas, J. Chmeliov
LITHUANIAN JOURNAL OF PHYSICS
(2018)
Article
Physics, Multidisciplinary
E. Gaizauskas, G. Trinkunas
LITHUANIAN JOURNAL OF PHYSICS
(2013)
Article
Plant Sciences
Shazia Farooq, Jevgenij Chmeliov, Emilie Wientjes, Rob Koehorst, Arjen Bader, Leonas Valkunas, Gediminas Trinkunas, Herbert van Amerongen
Correction
Chemistry, Physical
Chen Luo, Yan Shao, Hua Yu, Hong-zhi Ma, Yu-hao Zhang, Long Gu, Bo Yin, Ming-bo Yang
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Stefano Borocci, Armando Camerlingo, Felice Grandinetti, Maria Rutigliano, Nico Sanna
Summary: The complexes of He, Ne, Ar, Kr, and Xe with B3N3H6 were investigated using MP2, CCSD(T), and SAPT ab initio methods. The complexes can be described as mono-, di-, and tri-coordinated to the N atoms, with stability following the order N-mono < N-di < N-tri. The interactions are dominated by dispersion and the binding energies are within the range of 1 or 2 kcal mol(-1). The results were compared with a recent DFT study on larger BN sheets complexes [Phys. Chem. Chem. Phys. 24 (2022) 2554-2566.].
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
V. Nagarajan, R. Bhuvaneswari, R. Chandiramouli
Summary: In this study, stable phosphoborane was used as a sensor to detect isobutane and n-propane in Liquefied Petroleum Gas (LPG). Phosphoborane demonstrated structural stability and semiconducting nature, and exhibited promising adsorption properties for the LPG molecules.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xiaoxi Xu, Zijiang Yang, Bayaer Buren, Maodu Chen
Summary: In this study, the time-dependent wave packet method was used to investigate the reaction channels and mechanisms of Ca+ + HD. The results show that the CaH+ + D reaction channel plays a primary role, which is consistent with experimental results. Complex forming and direct-abstraction reaction mechanisms exist in this reaction process.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Keshab Pandey, Hae Kyung Jeong
Summary: A free-standing silicon-carbon nanofiber composite film was synthesized and investigated for supercapacitor applications. It exhibited high specific capacitance, energy density, and power density. After 5000 cycles, the film showed excellent specific capacitance retention and Coulombic efficiency.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xinyu Zhang, Haosong Li, Xiaoyu Cao, Jing Gao, Yong Wei, Jianzhuo Zhu
Summary: The evaporation behavior of nanosized water aggregations on two-dimensional electroneutral solid surfaces with different surface polar unit densities was investigated. The results showed that the evaporation rate changes non-monotonically with the surface polar unit density, and the minimum evaporation rate is obtained when the surface has a modest surface polar unit ratio of 66.7%.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Yanyan Xu, Rui Dai, Xiaojie Wang, Zhijun Qiao, Haowei Wen, Dianbo Ruan, Yuzuo Wang
Summary: This article presents an innovative solvothermal sodium insertion method for synthesizing Triphylite-NaFePO4, which demonstrates optimal electrochemical performance in sodium-ion batteries.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Meiyi Jiang, Kun Yang, Yancheng Liu, Li Yao
Summary: The geometric structure and electronic properties of transition metal M (M = Cu, Fe, Mn)-TiO2 (101) surface adsorbed by NO2 and N2O were calculated by density functional theory (DFT) and DFT + U theory. The results showed that the adsorption of NO2 and N2O on Mn and Fe atoms is more stable, and a large number of active electrons are formed around these atoms, facilitating the catalytic reactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Sergey A. Vyrko, Yulia G. Polynskaya, Nikita A. Matsokin, Andrey M. Popov, Andrey A. Knizhnik, Nikolai A. Poklonski, Yurii E. Lozovik
Summary: In this study, carbon nanobracelets, which are cyclic molecules composed of alternating polycyclic regions and double carbon chains, were investigated using spin-polarized density functional theory. The results show that carbon nanobracelets with odd number of monomers exhibit distinct electronic energy levels, band gaps, and carbon chain deformation compared to those with even number of monomers.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Chanchan Wang, Quan Yang, Yanzhi Ding, Xiaoyong Lu, Dong Tian
Summary: It has been found that the introduction of buffer layers improves the electrical performance of solid oxide fuel cells (SSOFCs). In this study, varying ratios of Gd-doped CeO2 were used as buffer layers in YSZ-based SSOFCs. The results demonstrate that the performance of SSOFCs is enhanced when a buffer layer is added, with the highest performance achieved using Ce0.8Gd0.2O2-delta (GDC20) as the buffer layer. This suggests that the use of GDC series buffer layers is an attractive strategy to optimize performance loss due to electrolyte-electrode interactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Wang Li, Yi-Fan Zhang, Jia-Bin Huang, Chang-Yang Wang, Feng Zhang, Jiu-Zhong Yang, Long Zhao
Summary: The gas-phase reaction of propargyl with vinylacetylene was investigated using synchrotron photoionization and molecular-beam mass spectrometry methodologies. The formation mechanisms of the resulting cyclic structures were examined using quantum computations. Two previously unidentified isomers were detected and identified for the first time.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Avijit Pramanik, Sanchita Kundu, Olorunsola Praise Kolawole, Kaelin Gates, Paresh Chandra Ray
Summary: This study investigates the influence of aspect ratio and quantum confinement on the single-photon and two-photon absorption cross-section of perovskite CsPbI3 nanorods. Experimental data shows that CsPbI3 nanorods have an extremely high two-photon absorption cross-section, significantly surpassing organic chromophores and other CsPbBr3 nanocrystals. Moreover, adjusting the aspect ratio can significantly enhance the absorption ability. Additionally, the study also reveals a moderate quantum confinement effect on the single-photon and two-photon absorption cross-section of the nanorods.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Hyon-Tae Pak, Jin-A Choe, Kyong-Sik Ju, Yong -Son Rim
Summary: Drug-loaded cellulose diacetate (CDA) membranes were prepared using different compositions of mixed solvent. The microstructure and performance of the membranes were investigated, and a method to predict drug release properties was proposed. The results showed that the composition of the mixed solvent significantly affected the overall performance of CDA membranes, and the release rates of drugs were related to Δdelta and the intrinsic viscosity of CDA.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Gabriella E. Ravin, E. Curotto
Summary: We have developed a systematic approach to optimize the training set sizes for neural networks in fitting ab initio potential energy surfaces. Using this approach, we have constructed several spectroscopic quality potential energy surfaces for [Li(H2)n]+, n = 1 - 9. The ground state properties have been computed for all the systems and selected states.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Guohua Xu, Lei Xu, Feng Zhang, Chunling Yu, Yu Song
Summary: NiS1.03@Ni7S6/carbon composite was successfully prepared using corn stalk as a carbon source via a simple adsorption-sulphurization process. The composite exhibited a specific capacitance of 1554.6 F/g at 1 A/g as a supercapacitor electrode, with a capacitance retention rate of 80.4% after 5000 cycles. Furthermore, the NiS1.03@Ni7S6/carbon//AC asymmetric supercapacitor showed a high energy density of 41.2 Wh kg-1 at a power density of 750 W kg-1, and excellent cycling stability with 86.8% capacitance retention after 10,000 cycles.
CHEMICAL PHYSICS LETTERS
(2024)
