Article
Astronomy & Astrophysics
Leonid Pogorelyuk, Riley Fitzgerald, Sophia Vlahakis, Rhonda Morgan, Kerri Cahoy
Summary: We developed a deconfuser tool to test plausible partitions of planet detections in high-contrast images from future space-based telescopes. By applying the deconfuser to simulated observations, we found that four observations are generally sufficient to avoid confusion, except for systems with high inclinations. The deconfuser will be integrated into mission simulation tools for assessing the risk of confusion in future missions.
ASTROPHYSICAL JOURNAL
(2022)
Article
Astronomy & Astrophysics
Sheng Yang, Liangyu Wu, Zekai Zheng, Masahiro Ogihara, Kangrou Guo, Wenzhan Ouyang, Yaxing He
Summary: Studying the orbital stability of multi-planet systems is crucial for understanding planet formation, estimating stable time, and advancing population synthesis models. This study investigates the dynamical stability of non-uniform separation systems. A system with 10 planets and varying orbital separations was simulated, showing that reducing one pair of spacing led to significantly shorter orbital crossing times. The first collisions were closely associated with the initially closest separation pair. Updating formulas derived for evenly spaced systems is necessary in realistic situations.
Article
Astronomy & Astrophysics
Emily Sandford, David Kipping, Michael Collins
Summary: Through neural network and computational models, research has shown that predictable patterns and rules exist within planetary systems, aiding in understanding the formation and evolution of such systems. Two robust groups of planetary systems have been identified, highlighting that planetary systems are not random sequences.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2021)
Article
Multidisciplinary Sciences
Michael S. P. Kelley, Henry H. H. Hsieh, Dennis Bodewits, Mohammad Saki, Geronimo L. L. Villanueva, Stefanie N. N. Milam, Heidi B. B. Hammel
Summary: Main-belt comets, located in the asteroid belt, show comet-like activity due to ice sublimation. A recent observation of main-belt comet 238P/Read using the James Webb Space Telescope revealed the presence of a water vapor coma but no significant CO2 gas coma. These findings suggest that main-belt comets are fundamentally different from other comets and could provide valuable insights into the volatile inventory and evolution of the early Solar System.
Article
Materials Science, Multidisciplinary
A. A. El -Barbary
Summary: The infrared spectroscopies and vibrational modes of ten heterohedral metallofullerenes C19M were theoretically simulated using density functional theory (DFT) method. The results showed that the obtained IR spectra bands could be classified into three broad spectral regions characterizing transition metal (M), bending modes of C-C bonds, and stretching modes of C-C bonds. The intensity of IR peaks at the first spectral region 200-400 cm-1 exhibited a direct linear relationship with the dipole moments. Moreover, the IR spectroscopy was found to depend on the type of transition metals, making it useful for the identification of doping elements in metallofullerenes C19M. Finally, the calculated IR spectra could be used to link and explain unidentified infrared bands to the interstellar spectral data.
DIAMOND AND RELATED MATERIALS
(2023)
Article
Spectroscopy
Nikki Kuhar, Sanchita Sil, Siva Umapathy
Summary: Proteins, responsible for various biological processes, must maintain correct folding to avoid diseases. Raman spectroscopy techniques, including ROA, provide insights into protein structure and conformational changes, helping differentiate between proteins and understand subtle changes in their conformation. Techniques and data analyses advancements in Raman spectroscopic studies of proteins continue to be explored for a deeper understanding of protein structures.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Physical
A. Kumari, W. W. Tjiu, Z. Aabdin, J. Roy, V. K. Verma, A. Kandasami, V. R. Singh
Summary: In this study, the effects of Co-doping and high-temperature annealing on the structural, optical, and electronic characteristics of TiO2 nanoparticles were investigated. The results showed that Co-doping and annealing can affect the grain size, phase composition, and electronic states of the nanoparticles. These findings are significant for improving the performance of TiO2 nanoparticles.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
Elisabetta Collini
Summary: 2D electronic spectroscopy techniques are valuable for studying transport processes in artificial nanomaterials and nanodevices, particularly in assessing coherent mechanisms active in the transport of excitation energy towards possible quantum technology applications. The potential impact of 2DES techniques on the field of nanosystems, quantum technologies, and quantum devices is significant, given the promising new applications and rapidly developing technical capabilities.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Review
Biology
Francisco Calapez, Rodrigo Dias, Rute Cesario, Diogo Goncalves, Bruno Pedras, Joao Canario, Zita Martins
Summary: The search for potential extraterrestrial life forms focuses on the icy moons of the solar system with subsurface oceans. Understanding the interactions between the ice shells, liquid layers, and silicate mantles of these moons is crucial for determining their habitability. This review highlights the use of spectroscopy as a powerful tool in space missions to detect potential biosignatures and the significance of using the polar regions of Earth as planetary field analogues for studying these extraterrestrial environments.
Review
Nutrition & Dietetics
Vandana Chaudhary, Priyanka Kajla, Aastha Dewan, R. Pandiselvam, Claudia Terezia Socol, Cristina Maria Maerescu
Summary: Animal derived foods are important for human nutrition, but fraud in the food industry poses risks to both customers and the environment. Developing analytical tools to quickly detect fraud and validate product authenticity is crucial. Spectroscopy is an emerging approach that is quick, low cost, and non-destructive for verifying the authenticity of animal origin foods. This review examines the latest spectroscopic techniques used to detect fraud in meat, fish, poultry, egg, and dairy products, comparing their advantages and limitations to other commonly used analytical tools.
FRONTIERS IN NUTRITION
(2022)
Review
Biochemical Research Methods
Saba Aslani, Daniel W. Armstrong
Summary: Gas chromatography is a widely used technique for the separation and quantitation of volatile compounds, but the common detectors used with this technique do not provide specific qualitative information. Attempts have been made to combine gas chromatography with high-information spectroscopic techniques to overcome this limitation. This article discusses the history and recent developments in this area, focusing on the hyphenation of gas chromatography with molecular rotational resonance spectroscopy, which has shown promising results.
JOURNAL OF CHROMATOGRAPHY A
(2022)
Article
Astronomy & Astrophysics
S. Akras, H. Monteiro, J. R. Walsh, J. Garcia-Rojas, I Aleman, H. Boffin, P. Boumis, A. Chiotellis, R. M. L. Corradi, D. R. Goncalves, L. A. Gutierrez-Soto, D. Jones, C. Morisset, X. Papanikolaou
Summary: This paper presents an automatic code called SATELLITE, designed to fully explore the capabilities of Integral Field Spectroscopy (IFS) in characterizing extended objects. SATELLITE performs 1D and 2D spectroscopic analysis, simulating slit spectrometry and emission line imaging, and calculates uncertainties for various physical parameters using a Monte Carlo approach. It provides a powerful tool to extract physical information from IFS observations and demonstrates its capabilities through the comparison of results obtained from Multi Unit Spectroscopic Explorer (MUSE) data of planetary nebula NGC 7009 and NGC 6778.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2022)
Review
Instruments & Instrumentation
Rohan S. Dassanayake, Niwanthi Dissanayake, Juan S. Fierro, Noureddine Abidi, Edward L. Quitevis, Kiran Boggavarappu, Vidura D. Thalangamaarachchige
Summary: Cellulose nanocrystals (CNCs) have gained significant attention due to their wide range of applications. This review focuses on the characterization of CNCs and CNCs-derived materials using spectroscopic techniques such as solid-state nuclear magnetic resonance (NMR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron (XPS) spectroscopy, and Raman spectroscopy.
APPLIED SPECTROSCOPY REVIEWS
(2023)
Article
Chemistry, Analytical
Quinn T. Birch, Phillip M. Potter, Patricio X. Pinto, Dionysios D. Dionysiou, Souhail R. Al-Abed
Summary: Micro- and nano-scale plastic particles in the environment are of special concern due to their potential impact on marine, freshwater, and terrestrial ecosystems. Despite widespread research on microplastic pollution globally, there are still many questions about its origins. Developing standard methods to characterize and quantify microplastics is crucial for understanding their geographic origins and potential environmental and human health risks.
Article
Astronomy & Astrophysics
Dionysios Gakis, Konstantinos N. Gourgouliatos
Summary: Recent observations by TESS have discovered circumbinary planets in the systems of TOI-1338 and TIC-172900988. The purpose of this study is to model and study the planetary orbits in these systems using previous theoretical models. The distance of each planet from the barycentre over time is simulated and compared with outcomes from different approaches. Prominent frequencies of the planets' orbits induced by the central binaries are also inferred. The stability of both systems is confirmed, and the potential effects of an additional candidate planet in the TOI-1338 system are examined.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2023)
Article
Astronomy & Astrophysics
J. Orell-Miquel, G. Nowak, F. Murgas, E. Palle, G. Morello, R. Luque, M. Badenas-Agusti, I Ribas, M. Lafarga, N. Espinoza, J. C. Morales, M. Zechmeister, A. Alqasim, W. D. Cochran, D. Gandolfi, E. Goffo, P. Kabath, J. Korth, K. W. F. Lam, J. Livingston, A. Muresan, C. M. Persson, V. Van Eylen
Summary: HD 191939 is a nearby, bright, and inactive Sun-like star known to host a multi-planet system. A new non-transiting planet (HD 191939 g) was discovered in the system, and the mass of HD 191939 d was refined. The planetary system consists of three sub-Neptunes, a Saturn-mass planet, an Uranus-mass planet, and a high-mass long-period companion.
ASTRONOMY & ASTROPHYSICS
(2023)
Article
Astronomy & Astrophysics
Joheen Chakraborty, David Kipping
Summary: Systems of binary exoplanets formed through tidal capture during planet-planet scattering can exhibit illusory single-component transits, known as chimera transits. These transits show significant transit duration variation (TDV) and transit timing variation (TTV). We provide an analytical approximation for the upper bound of transit duration and a Python code for numerical calculations of TDV signals in binary planet systems.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2023)
Article
Astronomy & Astrophysics
Thomas Mellor, Alec Owens, Jonathan Tennyson, Sergei N. Yurchenko
Summary: This article presents a comprehensive rotation-vibration line list of thioformaldehyde applicable for elevated temperatures (2000 K). The new MOTY line list covers the 0-8000 cm(-1) range (wavelengths lambda > 1.3 μm) and contains billions of transitions between millions of states with rotational excitation up to J = 120. The line list calculations utilize a newly determined empirically refined potential energy surface, a high-level ab initio dipole moment surface, and an exact kinetic energy operator for solving the ro-vibrational Schrodinger equation. Post-processing of the MOTY line list improves the accuracy of predicted line positions, making it suitable for high-resolution applications. The MOTY line list is available from the ExoMol database and the CDS astronomical database.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2023)
Article
Astronomy & Astrophysics
Sergei N. Yurchenko, Emma Nogue, Ala'a A. A. Azzam, Jonathan Tennyson
Summary: This paper presents a line list for two isotopologues of aluminium monochloride, (AlCl)-Cl-35 and (AlCl)-Cl-37, covering the wavelength range below 0.2 μm, J up to 400, and applicable for temperatures up to 5000 K. The line lists are constructed using an empirical spectroscopic model that combines potential energy curves, spin-orbit coupling curves, electronic angular momentum curves, and Born-Oppenheimer breakdown correction curves with ab initio dipole moments, encompassing the four lowest electronic states. The article also addresses the challenges in assigning some laboratory rovibronic spectra and discusses the treatment of states in the continuum.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2023)
Review
Physics, Fluids & Plasmas
Luis L. Alves, Markus M. Becker, Jan van Dijk, Timo Gans, David B. Go, Katharina Stapelmann, Jonathan Tennyson, Miles M. Turner, Mark J. Kushner
Summary: The field of low-temperature plasmas (LTPs) excels by its intellectual diversity, interdisciplinarity, and range of applications. Communication challenges arise due to diverse reporting practices and expectations. This paper addresses these challenges by discussing standards for measurements, diagnostics, computations, reporting, and plasma sources to improve communication and transparency within the LTP field.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2023)
Article
Astronomy & Astrophysics
S. Liljegren, A. Jerkstrand, P. S. Barklem, G. Nyman, R. Brady, S. N. Yurchenko
Summary: The origin of stripped-envelope supernovae (SESNe) is still an unsolved question in supernova research. This study finds that molecular chemistry in SESNe has significant effects on physical conditions and spectra, with strong emission in the mid-infrared (MIR). Observing these MIR emissions holds promise for detecting molecules such as SiS and SO, and obtaining more information about SESNe.
ASTRONOMY & ASTROPHYSICS
(2023)
Article
Chemistry, Physical
Aleksandr A. Balashov, Katarzyna Bielska, Gang Li, Aleksandra A. Kyuberis, Szymon Wojtewicz, Jolanta Domyslawska, Roman Ciurylo, Nikolay F. Zobov, Daniel Lisak, Jonathan Tennyson, Oleg L. Polyansky
Summary: The intensities of 14 lines in the sixth overtone (7-0) band of 12CO are measured using a frequency-stabilized cavity ring-down spectrometer in the visible range. This is the first observation of such a high and weak overtone spectrum of the CO molecule. A theoretical model is constructed and tested based on accurate ab initio dipole moment and semi-empirical potential energy curves. Although the high overtone transitions present a challenge due to their weak lines, agreement between theory and experiment is achieved within a few percent of experimental uncertainty, after addressing issues with the stability of the Davidson correction to the multi-reference configuration interaction calculations.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Astronomy & Astrophysics
Sean N. Raymond, Dimitri Veras, Matthew S. Clement, Andre Izidoro, David Kipping, Victoria Meadows
Summary: Co-orbital systems are composed of two or more bodies that share the same orbit around a planet or star. Tadpoles and horseshoes are the most well-known types of co-orbital systems. This study uses N-body simulations to explore the parameter space of horseshoe systems with multiple planets. The results show that up to 24 equal-mass, Earth-mass planets can share a stable orbit at 1 au and exhibit complex horseshoe oscillations.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2023)
Article
Quantum Science & Technology
Dario Picozzi, Jonathan Tennyson
Summary: An efficient symmetry-adapted fermion-to-spin mapping is introduced to reduce the computational cost of a quantum computing simulation and enforce symmetry constraints. It provides a block-diagonalization of the Jordan-Wigner qubit Hamiltonian and an orthogonal projection. The proposed encoding is derived directly from the character table of the molecular point group and implemented in the open-source Python package QuantumSymmetry.
QUANTUM SCIENCE AND TECHNOLOGY
(2023)
Article
Astronomy & Astrophysics
Sam O. M. Wright, Stevanus K. K. Nugroho, Matteo Brogi, Neale P. P. Gibson, Ernst J. W. de Mooij, Ingo Waldmann, Jonathan Tennyson, Hajime Kawahara, Masayuki Kuzuhara, Teruyuki Hirano, Takayuki Kotani, Yui Kawashima, Kento Masuda, Jayne L. L. Birkby, Chris a. A. Watson, Motohide Tamura, Konstanze Zwintz, Hiroki Harakawa, Tomoyuki Kudo, Klaus Hodapp, Shane Jacobson, Mihoko Konishi, Takashi Kurokawa, Jun Nishikawa, Masashi Omiya, Takuma Serizawa, Akitoshi Ueda, Sebastien Vievard, Sergei N. N. Yurchenko
Summary: Individual vibrational band spectroscopy provides an opportunity to examine exoplanet atmospheres by studying the differences in vibrational state populations of molecules compared to the Boltzmann distribution assumption. This study investigates the detection of OH vibrational bands in exoplanet atmospheres using the hot Jupiter WASP-33b as an example. By simulating low-resolution spectroscopic data and using high-resolution observational data, the authors constructed specific OH cross-section sets and retrieved the vibrational populations from the observed and simulated spectra. The results demonstrate the feasibility of analyzing individual vibrational state populations and reconstructing state population distributions.
ASTRONOMICAL JOURNAL
(2023)
Article
Physics, Atomic, Molecular & Chemical
German Yu. Golubiatnikov, Oleg L. Polyansky, Nikolai F. Zobov, Jonathan Tennyson, Roman I. Ovsyannikov, Mikhail Yu. Tretyakov
Summary: This study performs new measurements of the high-resolution absorption spectrum of H2O-HF dimer using two complementary spectrometers. By refining the positions of the spectral lines and introducing new measurements, it obtains a more accurate set of molecular dynamics constants characterizing the dimer.
JOURNAL OF MOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Multidisciplinary
Mi-Young Song, Hyuck Cho, Grzegorz P. Karwasz, Viatcheslav Kokoouline, Jonathan Tennyson
Summary: This article compiles and reviews electron collision cross section data for electron collisions with nitrogen molecules (N-2, N-2(+), and N-2*), including total scattering, elastic scattering, momentum transfer, rotational excitation, vibrational excitation, electronic excitation, dissociative processes, and ionization. The literature survey covers studies up to the end of 2021. Recommended values of the cross sections are presented for each of these processes.
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA
(2023)
Article
Optics
Rong Wang, Ugne Balciunaite, Juncai Chen, Cheng Yuan, Alec Owens, Jonathan Tennyson
Summary: The so-called NASA polynomials are widely used to represent the specific heat of molecules in plasma and combustion models. This study computed seven-term NASA polynomials for 464 molecules, including 44 cations and 9 anions, with nearly 200 species lacking polynomials. The calculation of NASA polynomials relied on data from various databases and thermodynamic tables. The results were compared with existing compilations, and recommended polynomials were identified. Discrepancies were found at higher temperatures, possibly due to assumptions about highly excited rotation-vibration energy levels.
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
(2023)
Article
Optics
Matthias Germann, Adrian Hjalten, Jonathan Tennyson, Sergei N. Yurchenko, Iouli E. Gordon, Christian Pett, Isak Silander, Karol Krzempek, Arkadiusz Hudzikowski, Aleksander Gluszek, Grzegorz Sobon, Aleksandra Foltynowicz
Summary: In this study, optical frequency comb Fourier transform spectroscopy was used to record the spectroscopic data of formaldehyde in a specific frequency range. The line positions and intensities of rovibrational transitions were obtained through line-by-line fitting. By incorporating these accurate line positions into the analysis, more energy levels and rovibrational transitions were predicted with reduced uncertainties in the H2CO spectrum.
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
(2024)
Article
Chemistry, Physical
Even Xu, Jonathan Tennyson
Summary: (English Summary:)
This study provides an exhaustive review and comprehensive analysis of the measured rovibrational transitions of the (OCS)-O-16-C-12-S-32 isotopologue of carbonyl sulphide. It recommends a consistent set of harmonic oscillator quantum numbers for future studies. The analysis results in 5729 empirical energy levels, with uncertainties analyzed using different procedures, including the newly implemented bootstrap method.