Article
Multidisciplinary Sciences
Kieran M. Farrell, Nan Yang, Martin T. Zanni
Summary: Two-dimensional (2D) optical spectroscopy contains cross-peaks that are helpful features for determining molecular structure and monitoring energy transfer. A polarization scheme can remove the diagonal peaks in 2D spectroscopy and the intense bleach/stimulated emission peaks in transient absorption (TA) spectroscopy.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Spectroscopy
David A. Price, Poornima Wedamulla, Tayler D. Hill, Taylor M. Loth, Sean D. Moran
Summary: Guanine-rich nucleic acid sequences can form G-quadruplex structures with different characteristics. By comparing the polarization dependences of cross-peaks in two-dimensional infrared (2D IR) spectra, parallel-stranded and antiparallel-stranded G-quadruplexes can be distinguished. This study reveals key features of a Bcl-2 proximal promoter and demonstrates the convenience of using 2D IR spectroscopy for analyzing G-quadruplex structures.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Multidisciplinary
Yu Wang, Huang Wu, Weigang Zhu, Xiaotao Zhang, Zheyuan Liu, Yishi Wu, Changfu Feng, Yanfeng Dang, Huanli Dong, Hongbing Fu, Wenping Hu
Summary: Large-area 2D cocrystals with strong near-infrared absorption have been successfully designed and prepared through intermolecular charge-transfer interactions. Tuning the growth solvents and processes allows for morphological control, resulting in enhanced CT absorption and excellent device performance in the NIR region. Transient absorption spectroscopy and device configuration optimization play key roles in generating long-lived free charge carriers and improving the responsivity and response time of the cocrystals.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Linchen Xie, Ran Guo, Limin Yang, Yukihiro Ozaki, Isao Noda, Yizhuang Xu, Kun Huang
Summary: The cluster pattern of cross-peaks in a 2D asynchronous spectrum can reveal the physicochemical nature of subtle spectral changes caused by intermolecular interactions. However, the presence of noise in the 1D spectra used to construct the 2D spectrum poses a challenge in identifying the correct cluster pattern. The Kolmogorov-Smirnov test can be used to check for mirror symmetry between cross-peaks covered by heavy noise, allowing for distinguishing different types of cross-peak clusters and excavating intrinsic spectral features from the noisy spectrum. The effectiveness of this approach was demonstrated in both simulated and real systems.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Muyu Yan, Xiaoping Gao, Xiao Han, Danni Zhou, Yue Lin, Wenxing Chen, Zhenggang Xue, Yuen Wu
Summary: Researchers created gas-microchannels on TiO2 nanorod-supported Pt single-atom catalyst to guide and transfer reactant molecules to achieve high-efficient reactions. The final Pt-1/TiO2 catalysts showed a high sensing response to acetone gas, approximately three times higher than catalysts without scaly shell.
Article
Spectroscopy
Kaili Li, Fengshan Zhou, Anqi He, Ran Guo, Limin Yang, Ying Zhao, Yizhuang Xu, Isao Noda, Yukihiro Ozaki
Summary: Analysis of mixtures is a common task in analytical chemistry, and using 2D/nD asynchronous spectra can retrieve spectra of pure substances. However, noise in the spectra becomes a bottleneck, and finding a suitable sequence of 1D spectra can improve the signal-to-noise level. Random swapping (RS) is more effective than random changing (RC) in finding better sequences, leading to improved performance in spectral analysis.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Inorganic & Nuclear
Yan-Ning Wang, Shao-Dan Wang, Yue Sun, Qing-Feng Yang, Si-Yuan Wang, Lin-Man Wen, Lin-Jie Liu
Summary: A novel 3D Co(II)-based coordination polymer (compound 1) has been synthesized using a luminescent tricarboxylate ligand H3L. Compound 1 shows good chemical and thermal stability. It exhibits rare ratiometric turn-on luminescence response towards ascorbic acid (AA) and luminescence turn-off response towards acetylacetone. Both sensing systems demonstrate good sensitivity, selectivity, and anti-interference performance.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Chemistry, Physical
Samantha H. Rutherford, Gregory M. Greetham, Anthony W. Parker, Alison Nordon, Matthew J. Baker, Neil T. Hunt
Summary: The ability of 2D-IR spectroscopy to measure protein in physiological conditions and biofluids has prompted the development of a workflow for pre-processing data that simplifies spectral cross-comparisons. This workflow includes baseline correction, spectral normalization, and noise reduction techniques. Application of this workflow to previously published data and a new pilot study demonstrates improved quantification accuracy and detection limits.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Analytical
Linchen Xie, Anqi He, Jia Han, Yi Wu, Da Li, Xiaopei Li, Limin Yang, Kun Huang, Yukihiro Ozaki, Isao Noda, Yizhuang Xu
Summary: The importance of estimating the stoichiometric ratio in a supramolecular system is emphasized in this study. A new robust method is proposed, which replaces peak intensity with peak volume to minimize the interference of noise. Additionally, the Jonckheere-Terpstra statistical test further reduces the risk of yielding incorrect results. The method was successfully applied to real-world examples, demonstrating its effectiveness.
ANALYTICAL CHEMISTRY
(2022)
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, Organic
Tomoki Inoue, Aika Kuwayama, Kentaro Okano, Masaki Horie, Atsunori Mori
Summary: Deprotonative metalation of 2-halo-3-substituted thiophene can be achieved in the absence of metal amide by adding TMEDA as an additive. The addition of a nickel catalyst promotes cross-coupling polymerization. Polythiophene with high yield can be obtained using a nickel catalyst with N-heterocyclic carbene ligand.
ASIAN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Optics
Paul Roth, Michael H. Frosz, Linda Weise, Philip St J. Russell, Gordon K. L. Wong
Summary: The observation of cross-phase modulational instability (XPMI) of circularly polarized helical Bloch modes in a twisted photonic crystal fiber with N-fold rotational symmetry is reported for the first time. By pumping the fiber with a superposition of left-circular polarization (LCP) and right-circular polarization (RCP) modes, orthogonal circularly polarized sidebands with opposite topological charge are generated. This unique phenomenon highlights the importance of chiral structures in modulational instability processes.
Article
Chemistry, Physical
Yan-Ning Wang, Hao Xu, Shao-Dan Wang, Jun-Tai Bai, Qing-Chen Qiu, Yuan Mo, Wu-Yi Feng, Meng-Han Zhang, Yi-Tong Wang, Xue-Ping Chang, Qing-Feng Yang
Summary: A novel fluorescent coordination polymer Cu-CP with strong fluorescent emission and multifunctional detection capabilities has been successfully synthesized. The Cu-CP exhibits excellent sensitivity and anti-interference performance for detecting nitrofurazone, nitrofurantoin, Cr2O72-, CrO42-, and MnO4- in an aqueous system.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Computer Science, Software Engineering
Yael Dubinsky, Pnina Soffer, Irit Hadar
Summary: This paper presents a framework for cross-case association patterns, categorizing them as intended association patterns and contextual association patterns. It also proposes techniques for detecting these patterns and evaluates their internal and external validity using simulated and real-life logs.
SOFTWARE AND SYSTEMS MODELING
(2023)
Article
Public, Environmental & Occupational Health
Fadi S. Qashqari, Radi T. Alsafi, Saeed M. Kabrah, Rayda'a A. AlGary, Sara A. Naeem, Malak S. Alsulami, Hatim Makhdoom
Summary: This study aimed to assess the knowledge, attitudes, and awareness of HIV/AIDS among the general population in Saudi Arabia. The results showed good knowledge of HIV/AIDS transmission modes, but low rates of positive attitudes toward HIV/AIDS infected people and the level of HIV/AIDS awareness. There is a need for advocacy campaigns and policies to reduce HIV stigmatization levels.
FRONTIERS IN PUBLIC HEALTH
(2022)
Article
Chemistry, Organic
Giulia Marafon, Alessandro Moretto, David Zanuy, Carlos Aleman, Marco Crisma, Claudio Toniolo
JOURNAL OF ORGANIC CHEMISTRY
(2020)
Review
Chemistry, Multidisciplinary
Carlos R. Baiz, Bartosz Blasiak, Jens Bredenbeck, Minhaeng Cho, Jun-Ho Choi, Steven A. Corcelli, Arend G. Dijkstra, Chi-Jui Feng, Sean Garrett-Roe, Nien-Hui Ge, Magnus W. D. Hanson-Heine, Jonathan D. Hirst, Thomas L. C. Jansen, Kijeong Kwac, Kevin J. Kubarych, Casey H. Londergan, Hiroaki Maekawa, Mike Reppert, Shinji Saito, Santanu Roy, James L. Skinner, Gerhard Stock, John E. Straub, Megan C. Thielges, Keisuke Tominaga, Andrei Tokmakoff, Hajime Torii, Lu Wang, Lauren J. Webb, Martin T. Zanni
Article
Chemistry, Physical
Hiroaki Maekawa, Elena Drobnyh, Cady A. Lancaster, Nicolas Large, George C. Schatz, Jennifer S. Shumaker-Parry, Maxim Sukharev, Nien-Hui Ge
JOURNAL OF PHYSICAL CHEMISTRY C
(2020)
Article
Chemistry, Physical
Marcello Righetto, Francesco Carraro, Alberto Privitera, Giulia Marafon, Alessandro Moretto, Camilla Ferrante
JOURNAL OF PHYSICAL CHEMISTRY C
(2020)
Article
Chemistry, Multidisciplinary
Giulia Marafon, Marco Crisma, Anna Masato, Nicoletta Plotegher, Luigi Bubacco, Alessandro Moretto
Summary: Proteins undergo changes in their 3D structure and function through specific molecular interactions, which is crucial for sensing, processing, and transmitting information from the surrounding environment. The study of early aggregation steps of alpha-synuclein associated with Parkinson's disease showed that light-mediated binding with a photoactive foldamer can promote the process by generating supramolecular fibrillar seeds that act as molecular templates for inducing fast beta-sheet transitions in monomers. This proposed method provides a powerful tool for studying protein aggregation in misfolding diseases in a controlled and inducible system.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Ilya Vinogradov, Yuan Feng, S. K. Karthick Kumar, Chenxu Guo, Nina Saki Udagawa, Nien-Hui Ge
Summary: This study investigates the effects of charged phospholipid headgroups on the insertion of the tyrosine side chain into a lipid bilayer, revealing rich vibrational dynamics and proposing three models to explain the observed line shape distortion. Despite the complexities of the dynamics, it was found that the tyrosine ring mode's frequency-frequency correlation function is qualitatively correlated with the expected degree of insertion from different phospholipid headgroups.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Hiroaki Maekawa, S. K. Karthick Kumar, Sudipta S. Mukherjee, Nien-Hui Ge
Summary: Vibrationally resonant sum-frequency generation (VR SFG) microscopy is an advanced imaging technique that can map out the intensity contrast of infrared and Raman active vibrational modes with micron to submicron lateral resolution. By enabling high-speed measurements of VR SFG microspectra at every pixel, combined with an ultrafast laser system, this approach can probe the structural features and spatial arrangements of biological systems in detail. The new multiplex VR SFG microscope operated at a high repetition rate shows promising applications for biological research.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Nanoscience & Nanotechnology
Claudio Cometto, Aldo Ugolotti, Elisa Grazietti, Alessandro Moretto, Gregorio Bottaro, Lidia Armelao, Cristiana Di Valentin, Laura Calvillo, Gaetano Granozzi
Summary: This study reports the use of copper single atoms functionalized two-dimensional graphitic carbon nitride (GCN) as a catalyst for CO2 reduction (CO2RR). The correct GCN structure, adsorption sites, and coordination of Cu atoms were determined by experimental techniques and DFT calculations. Different products were obtained in different buffer solutions, showcasing the promising substrate stability of GCN for metal atoms.
NPJ 2D MATERIALS AND APPLICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Caroline Qian, Alex Abelson, Anneka Miller-Casas, Robert Capp, Ilya Vinogradov, Nina S. Udagawa, Nien-Hui Ge, Matt Law
Summary: This study presents an improved method for fabricating epi-SLs, which replaces the conventional amine point injection with contactless and uniform illumination using a dissolved photobase. The photobase-made epi-SLs exhibit better chemical and structural uniformity, as well as lower concentrations of bulk defects.
Correction
Chemistry, Multidisciplinary
Carlos R. Baiz, Bartosz Blasiak, Jens Bredenbeck, Minhaeng Cho, Jun-Ho Choi, Steven A. Corcelli, Arend G. Dijkstra, Chi-Jui Feng, Sean Garrett-Roe, Nien-Hui Ge, Magnus W. D. Hanson-Heine, Jonathan D. Hirst, Thomas L. C. Jansen, Kijeong Kwac, Kevin J. Kubarych, Casey H. Londergan, Hiroaki Maekawa, Mike Reppert, Shinji Saito, Santanu Roy, James L. Skinner, Gerhard Stock, John E. Straub, Megan C. Thielges, Keisuke Tominaga, Andrei Tokmakoff, Hajime Torii, Lu Wang, Lauren J. Webb, Martin T. Zanni
Article
Chemistry, Multidisciplinary
Matteo Pollastrini, Giulia Marafon, Jonathan Clayden, Alessandro Moretto
Summary: This study presents a catalytic foldamer containing a fumaramide chromophore that acts as a light-sensitive switchable cofactor, triggering esterase activity when undergoing photoisomerization. The fumaramide/maleamide linker serves as a 'catalytic triad' bringing together Ser, His, and Asp residues for activation of catalytic activity in short foldamers.
CHEMICAL COMMUNICATIONS
(2021)
Article
Biochemistry & Molecular Biology
Claudio Toniolo, Alessandro Moretto, Fernando Formaggio, Quirinus B. Broxterman, Marco Crisma