Article
Chemistry, Physical
Jakob D. Asmussen, Abdul R. Abid, Akgash Sundaralingam, Bjorn Bastian, Keshav Sishodia, Subhendu De, Ltaief Ben Ltaief, Sivarama Krishnan, Henrik B. Pedersen, Marcel Mudrich
Summary: This study investigates the fragmentation of cytosine and thymine molecules induced by extreme-ultraviolet irradiation, comparing the effects of direct and indirect ionization. It is found that Penning ionization causes less fragmentation compared to direct photoionization. The fragmentation is efficiently suppressed when these molecules are complexed with water molecules.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Optics
Xitao Yu, Xinning Zhao, Zhenzhen Wang, Yizhang Yang, Xinyu Zhang, Pan Ma, Xiaokai Li, Chengye Wang, Xinpeng Xu, Chuncheng Wang, Dongdong Zhang, Sizuo Luo, Dajun Ding
Summary: By conducting a four-body coincident measurement using femtosecond laser-induced Coulomb explosion, the study was able to resolve four isomers of carbonyl sulfide dimer and determine their structures from the measured coincident momenta of fragment ions. The research demonstrates the potential of using Coulomb explosion for resolving isomers of weakly bound molecular clusters and determining their stereo configuration. Additionally, there is potential for femtosecond time-resolved imaging to study the structural evolution of molecular complexes during dissociation.
Article
Chemistry, Physical
Marcos Juanes, Rizalina Tama Saragi, Cristobal Perez, Lourdes Enriquez, Martin Jaraiz, Alberto Lesarri
Summary: Furfuryl alcohol and thenyl alcohol, both containing a labile torsional chiral center, show transiently chiral enantiomers interconverting in the nanosecond time-scale. In this study, molecular recognition using weakly-bound intermolecular dimers of these alcohols was explored, freezing their stereomutation. Supersonic jet broadband microwave spectroscopy revealed homo and heterochiral diastereoisomers for each alcohol dimer and characterized the structural features of the clusters. Density-functional calculations showed no clear preference for a specific stereochemistry in the dimers. This study suggests opportunities for investigating chiral recognition in molecules with torsional barriers between transient and permanent interconversion regimes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Vanessa Tabernero, M. Teresa Munoz, Miguel Palenzuela, Rosa M. Gomila, Antonio Frontera, Marta E. G. Mosquera
Summary: This communication presents the synthesis and X-ray characterization of a novel mononuclear aluminium compound with an intramolecular sigma-hole triel bonding interaction. It is compared with a previously reported dinuclear aluminium compound, where the aluminium atoms participate in two concurrent sigma-hole triel bonding interactions. This behavior has not been described in the literature before.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Organic
Hajer Ayachi, Houda Gazzeh, Taoufik Boubaker, Jean-Claude Guillemin
Summary: The key compounds (Z)- and (E)-iminoacetonitriles (NCCH=NH), which are hydrogen cyanide dimers, play important roles in prebiotic chemistry. Methylenecyanamide (CH2=NCN), the second most thermodynamically stable dimer of HCN with covalent bonds, has been poorly studied. We demonstrate that this compound can be isolated, forms stable adducts with nucleophiles or dienes, and can be easily generated under prebiotic conditions, suggesting a potential role in this environment. Comparison between isomers reveals significant differences in formation and chemical reactivity.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Allison M. Williams, Taylor M. Dickson, Claudia A. Lagoa-Miguel, Philip C. Bevilacqua
Summary: Guanine-rich regions of DNA or RNA can form structures called G-quadruplexes (GQ) with consecutive G-quartets. Recent studies reveal that these structures can aggregate in vitro. In this study, we investigate the effects of in vivo concentrations of additives on the structure and solution behavior of RNA containing GQ-forming sequences. We found that cytosine nucleotides can destabilize a model GQ structure at biological salt concentrations, while other nucleotides and free amino acids do not have a significant effect. The tendency of folded GQs to form droplets or to aggregate depends on the flanking sequence and the presence of additives. We also provide an example of how polyamines and crowders can cause phase separation in a biological sequence. These findings have important implications for the understanding of GQs' participation in liquid-liquid phase separation (LLPS) in vivo.
Article
Nanoscience & Nanotechnology
Da-Sheng Zheng, Ming Yang, Jin-Yun Wang, Zhong-Ning Chen
Summary: Two asymmetric PtAu2 complexes and corresponding bis(acetylide)-linked Pt2Au4 complexes were prepared and characterized by X-ray crystallography. The bis(acetylide)-linked Pt2Au4 complexes showed a distinct red shift of the emission and higher phosphorescent efficiency compared to PtAu2 complexes. By utilizing highly emissive Pt2Au4 complexes as phosphorescent dopants, high-efficiency solution-processed OLEDs were achieved.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Yuehui Li, Yantao Shi, Xuedan Song, Zhengyan Zhao, Naitian Zhang, Ce Hao
Summary: In this study, the state and dynamic equilibrium of glycolaldehyde in methanol solution were systematically investigated. It was found that glycolaldehyde hemiacetal (GAHA) is the dominant component in methanol solution, with more than 90% abundance. The study provides important insights into the analysis of sugars and related compounds in biochemical reactions.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Karol Kulacz, Michal Pochec, Aneta Jezierska, Jaroslaw J. Panek
Summary: This study focuses on the characterization of intramolecular hydrogen bonds in cyclic compounds, using various theoretical methods to analyze proton transfer phenomena, nuclear quantum effects, and vibrational features. The influence of environmental factors on proton dynamics was also explored.
Article
Chemistry, Physical
Apakorn Phasuk, Ricardo B. B. Metz
Summary: The interaction between aluminum cations and acetone in the gas phase was studied using photodissociation vibrational spectroscopy. The spectra of Al+(acetone)(N-2) and Al+(acetone)( n ) (n = 2-5) ions were measured and compared to DFT calculated vibrational spectra to determine the structures of the complexes. The experiments showed red shift of the C=O stretch and blue shift of the CCC stretch, which decreased as the size of the clusters increased. The calculations predicted that the most stable isomer for n ≥ 3 was pinacolate, where oxidation of Al+ enabled reductive C-C coupling between two acetone ligands. Experimentally, pinacolate formation was observed for n = 5, as evidenced by a new peak at 1185 cm(-1) characteristic of the pinacolate C-O stretch.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Geography, Physical
Rong Huang, Yusheng Xu, Wei Yao, Ludwig Hoegner, Uwe Stilla
Summary: Point cloud registration is a crucial task in photogrammetry and computer vision, and this paper introduces a novel global registration method that is less sensitive to noise and outliers by correlating low-frequency components in the frequency domain. The proposed method successfully separates rotation, scaling, and translation operations for accurate estimation, and experiments show its efficiency in urban and natural scenarios with minimal errors in rotation and translation.
ISPRS JOURNAL OF PHOTOGRAMMETRY AND REMOTE SENSING
(2021)
Article
Biochemical Research Methods
Konrad Koszinowski, Rene Rahrt
Summary: This study investigates the interactions of fluorinated alcohols in solution through experimental and computational methods. The results show that the formation of anionic dimers involving highly fluorinated alcohols is favored, and their dissociation energies are higher than those of corresponding neutral dimers. These findings contribute to a better understanding of the role of fluorinated alcohols in solution.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Chemistry, Physical
Manjusha Boda, G. Naresh Patwari
Summary: Carboxylic acids form stable dimers that model proton transfer processes, with the electric field experienced by the OH group dependent on the nature of substitution on the dimer partner. The Stark tuning rate of O-H stretching vibrations is weakly dependent on substitution on the carboxylic acid, with anharmonic O-D frequency shifts being significantly higher in carboxylic acid dimers.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Materials Science, Coatings & Films
Pavel Curda, Rainer Hippler, Martin Cada, Ondrej Kylian, Vitezslav Stranak, Zdenek Hubicka
Summary: This study investigates the early stage of nanoparticle formation, focusing on the role of atomic dimers as cluster nuclei. The results show that high-energy sputtered Cu2+ dimers play a major role in the formation of initial cluster nuclei.
SURFACE & COATINGS TECHNOLOGY
(2023)
Article
Chemistry, Physical
Cheng-Liang Hsu, En-Cheng Chang, Han-Ting Hsueh, Yi-Hung Liu
Summary: The study successfully synthesized n-ZnO/p-CuMnO2 core-shell nanowires by solution method, exhibiting good rectification and ultra-low leakage properties, as well as sensitivity and rapid response to organic gases and light of different wavelengths.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Inorganic & Nuclear
Malik H. Al-Afyouni, V. Mahesh Krishnan, Hadi D. Arman, Zachary J. Tonzetich
Article
Chemistry, Inorganic & Nuclear
V. Mahesh Krishnan, Hadi D. Arman, Zachary J. Tonzetich
DALTON TRANSACTIONS
(2018)
Article
Chemistry, Inorganic & Nuclear
V. Mahesh Krishnan, Ian Davis, Tessa M. Baker, Daniel J. Curran, Hadi D. Arman, Michael L. Neidig, Aimin Liu, Zachary J. Tonzetich
INORGANIC CHEMISTRY
(2018)
Article
Chemistry, Multidisciplinary
V. Mahesh Krishnan, Dimitar Y. Shopov, Caitlin J. Bouchey, Wilson D. Bailey, Riffat Parveen, Bess Vlaisavljevich, William B. Tolman
Summary: By modulating the properties of ligands, Cu(III) complexes bearing an oxygen-based auxiliary ligand were successfully stabilized and characterized for the first time, showing enhanced stability and slower reactivity.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Inorganic & Nuclear
V. Mahesh Krishnan, Hadi D. Arman, Zachary J. Tonzetich
DALTON TRANSACTIONS
(2017)
