Article
Chemistry, Physical
Chelsea Liekhus-Schmaltz, Zachary W. Fox, Amity Andersen, Kasper S. Kjaer, Roberto Alonso-Mori, Elisa Biasin, Julia Carlstad, Matthieu Chollet, James D. Gaynor, James M. Glownia, Kiryong Hong, Thomas Kroll, Jae Hyuk Lee, Benjamin Poulter, Marco Reinhard, Dimosthenis Sokaras, Yu Zhang, Gilles Doumy, Anne Marie March, Stephen H. Southworth, Shaul Mukamel, Amy A. Cordones, Robert W. Schoenlein, Niranjan Govind, Munira Khalil
Summary: In this study, we successfully quantified the evolving valence hole charge distribution in the photoexcited charge transfer state of a prototypical mixed valence bimetallic iron-ruthenium complex in solution, providing a spectroscopic ruler for quantifying excited-state valency in solvated complexes.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Isabel M. Klein, Hanzhe Liu, Danika Nimlos, Alex Krotz, Scott Kevin Cushing
Summary: This article introduces a novel ab initio Bethe-Salpeter equation method for studying photoexcited-state effects in various material systems. The method demonstrates precise calculations of XUV absorption spectra and provides physical intuition on the origin of transient XUV spectra.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Optics
Yuan Zhang, Zhiwei Dong, Li Song, Sheng Zhang, Yong Zhang, Yanyan Deng, Zeming Zhang, Shuo Liu, Yulei Wang, Zhiwei Lu, Yuanqin Xia
Summary: This paper proposes a strategy to optimize the femtosecond laser filamentation system, achieving highly sensitive detection of weak signals. Experimental results demonstrate that the optimized system shows great performance in detecting weak signals and tracking carrier evolution.
OPTICS AND LASER TECHNOLOGY
(2024)
Article
Nanoscience & Nanotechnology
Ting Zheng, Pavel Valencia-Acuna, Peymon Zereshki, Katherine M. Beech, Lier Deng, Zhenhua Ni, Hui Zhao
Summary: The study reveals a strong thickness dependence for charge transfer from MoSe2 to MoS2, with longer transfer times and extended interlayer exciton recombination lifetimes observed in thicker heterostructures. The results suggest that layer thickness is an important parameter for controlling the CT properties of van der Waals heterostructures, providing valuable insights for understanding the physical mechanisms of charge transfer in these systems.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Qiaozhi Yu, Zhengjian Yao, Haolin Zhang, Zhibin Li, Zhixing Chen, Hanqing Xiong
Summary: Researchers have developed a new ultrafast time-domain spectroscopy technique called transient stimulated Raman excited fluorescence (T-SREF), which enables background-free Raman spectra of electronic-coupled vibrational modes. By exciting the sample with two successive broadband femtosecond pulse pairs and performing Fourier transform on the resulting time-domain fluorescence trace, T-SREF achieves high sensitivity at the level of a few molecules, paving the way for supermultiplexed fluorescence detection and molecular dynamics sensing.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Review
Chemistry, Inorganic & Nuclear
Mengfei Wang, Kazuyuki Ishii
Summary: This review focuses on the photochemistry of phthalocyanine complexes with transition metal ions, especially second- and third-row transition metal ions. It summarizes their absorption, excited-state dynamics, and photofunctions, providing a direction for designing various photofunctions based on metal phthalocyanine complexes.
COORDINATION CHEMISTRY REVIEWS
(2022)
Review
Chemistry, Physical
Francisco Zaera
Summary: Catalysis in industrial chemical processes has long been studied through various spectroscopic techniques like vibrational and X-ray spectroscopies, allowing for a molecular-level understanding of catalytic mechanisms. These techniques help researchers explore the intricate details of catalytic processes and advancements in the field.
JOURNAL OF CATALYSIS
(2021)
Article
Optics
Qingqing Zhang, Yang Liu, Zhinan Jiang, Tiantian Guan, Yonggang Yang, Chaochao Qin, Yufang Liu
Summary: This study investigates the thermally activated delayed fluorescence (TADF) mechanism of the CZ-DPS molecule and reveals its time-evolution process by employing femtosecond transient absorption spectroscopy.
JOURNAL OF LUMINESCENCE
(2023)
Article
Chemistry, Physical
Matthew S. Barclay, Jonathan S. Huff, Ryan D. Pensack, Paul H. Davis, William B. Knowlton, Bernard Yurke, Jacob C. Dean, Paul C. Arpin, Daniel B. Turner
Summary: In this study, the measured spectra of two laser dyes are fitted to microscopic models of femtosecond coherence spectra (FCS) arising from molecular vibrations. Coherent quantum-beat signals are classified as fundamentals or overtones and their Huang-Rhys factors and anharmonicity values are quantified. This work solidifies the use of FCS for analysis of coherent quantum beats arising from molecular vibrations.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Li Wanhong, Yu Mingyue, Wang Lili, Zhu Dehuang, Peng Suhong, Hui Wang, Liu Haiyang
Summary: The photophysical properties of Mn-III(TPP)Cl were investigated in four solvents (toluene, dichloromethane, acetonitrile and N,N-dimethylformamide) through steady-state and femtosecond transient absorption spectroscopy. The results showed that the S-5(2) lifetime was the longest in the nonpolar solvent toluene, while the S-5(1) and T-5(1) lifetimes were the shortest. The S-5(2) lifetime decreased in the polar solvent acetonitrile but increased in the polar solvent N,N-dimethylformamide.
ACTA CHIMICA SINICA
(2023)
Article
Chemistry, Analytical
Steven A. Diaz, David W. Mccamant
Summary: By improving the collection optics, we have developed two new diffuse reflectance-based femtosecond stimulated Raman spectroscopy (drFSRS) techniques for collecting Raman spectra of opaque systems. The experimental results demonstrate the current capabilities of collecting high-quality Raman spectra using drFSRS.
ANALYTICAL CHEMISTRY
(2023)
Article
Optics
Raymundo Moya, Toru Kondo, Audrey C. Norris, Gabriela S. Schlau-Cohen
Summary: Single-molecule spectroscopy is widely used to study heterogeneity in behaviors on different timescales, with the recent emergence of single-molecule pump-probe spectroscopy for detecting heterogeneity on femtosecond and picosecond timescales. By developing a tunable apparatus, a bimodal distribution of energetic relaxation time constants was found for the fluorescent dye Atto647N, indicating dominance of specific processes within individual molecules and low heterogeneity. This spectrally-tunable single-molecule pump-probe spectroscopy has the potential to investigate heterogeneity in various biological and material systems.
Article
Chemistry, Physical
F. Glaab, C. Lambert, V Engel
Summary: This theoretical study investigates the dynamics of charge transfer induced by femtosecond laser-pulse excitation in symmetrically bridged organic mixed-valence molecules. The research reveals that relaxation dominates the charge transfer process, and extracting relevant contributions requires an extension of known techniques for decomposition.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Physics, Condensed Matter
Shengwen Yin, Yaping Han, Tingwei Yan, Qiang Fu, Tongtong Xu, Wenzhi Wu
Summary: The femtosecond transient absorption (TA) technique was used to study the ultrafast carrier dynamics of SnSe thin film prepared by pulsed laser deposition (PLD), and X-ray diffraction (XRD) and transmittance spectrum were utilized to characterize the thin film. The research revealed that the responses of different processes were modulated by single pulse energy, carrier concentration, and temperature, as well as by the thickness of the thin films and probe wavelengths. Our findings enhance the understanding of the relaxation mechanism in SnSe thin film and provide insights into the ultrafast optical properties of this layered IV-VI chalcogenide.
PHYSICA B-CONDENSED MATTER
(2021)
Article
Chemistry, Analytical
Miriam Bohlmann Kunz, Yulia Podorova, Zachary T. Armstrong, Martin T. Zanni
Summary: This study presents a time-domain photothermal microscopy technique using an atomic force microscope (AFM), which is called Fourier transform photothermal (FTPT) spectroscopy. By varying the delay between two laser pulses and computing the Fourier transform, the method achieves subdiffraction spatial resolution and provides new spectroscopic insights related to structural defects in crystals. An acousto-optic modulator-based pulse shaper is used for delay and phase control, allowing background subtraction and data collection in the rotating frame.
ANALYTICAL CHEMISTRY
(2022)
Review
Pathology
Halina Abramczyk, Beata Brozek-Pluska, Arkadiusz Jarota, Jakub Surmacki, Anna Imiela, Monika Kopec
EXPERT REVIEW OF MOLECULAR DIAGNOSTICS
(2020)
Article
Oncology
Halina Abramczyk, Anna Imiela, Beata Brozek-Pluska, Monika Kopec, Jakub Surmacki, Agnieszka Sliwinska
Article
Chemistry, Physical
Beata Brozek-Pluska, Adam Dziki, Halina Abramczyk
JOURNAL OF MOLECULAR LIQUIDS
(2020)
Article
Biochemistry & Molecular Biology
Beata Brozek-Pluska, Arkadiusz Jarota, Rafal Kania, Halina Abramczyk
Article
Chemistry, Physical
B. Brozek-Pluska
JOURNAL OF MOLECULAR STRUCTURE
(2020)
Article
Oncology
Halina Abramczyk, Beata Brozek-Pluska, Monika Kopec, Jakub Surmacki, Maciej Blaszczyk, Maciej Radek
Summary: This study demonstrated the impact of cancerogenesis on the redox status of mitochondrial cytochromes in human breast cancer and brain tumors using Raman spectroscopy and imaging. The correlation between cytochromes Raman bands intensity and malignancy grade was shown. Raman imaging provides additional insight into the biology of astrocytomas and breast ductal invasive cancer for noninvasive grading and differential diagnosis.
Article
Biochemistry & Molecular Biology
Karolina Beton, Beata Brozek-Pluska
Summary: Raman spectroscopy can play an important role in clinical diagnostics by differentiating between normal and cancerous samples through the identification of biomarkers, thus aiding in the diagnosis of colorectal cancer.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Oncology
Halina Abramczyk, Jakub Maciej Surmacki, Beata Brozek-Pluska, Monika Kopec
Summary: Research using Raman scattering revealed a correlation between the redox status of cytochromes in cancer cells and cancer aggressiveness, with increased reduced cytochrome c concentration observed in cancer tissues.
Article
Multidisciplinary Sciences
H. Abramczyk, B. Brozek-Pluska, M. Kopec
Summary: Cytochrome c plays a key role in maintaining life and cell death, but its precise roles under different conditions are not fully understood. This study used Raman spectroscopy and imaging to investigate changes in mitochondrial cytochromes in human breast tissues and cells, revealing their relevance to breast cancer development. These findings have important implications for understanding cytochrome function, mitochondrial dysfunction, and cancer development.
SCIENTIFIC REPORTS
(2022)
Article
Biochemistry & Molecular Biology
Karolina Beton-Mysur, Beata Brozek-Pluska
Summary: Cancers of the digestive tract, such as colorectal and gastric cancer, can be linked to oxidative stress. Raman spectroscopy was used to analyze tissue samples and cells from the human colon and stomach, revealing differences between healthy and cancerous tissues. The study also demonstrated the anti-cancer properties of antioxidants Vitamin C and E.
Article
Chemistry, Physical
Pawel Krzyczmonik, Marta Klisowska, Andrzej Leniart, Katarzyna Ranoszek-Soliwoda, Jakub Surmacki, Karolina Beton-Mysur, Beata Brozek-Pluska
Summary: The research aimed to develop a conductive composite material and an electrochemical enzyme sensor based on it. The conductive composite, consisting of poly(3,4-ethylenedioxy-thiophene-poly(4-lithium styrenesulfonic acid)/chitosan-AuNPs-glutaraldehyde, was created via electrochemical production. The sensor showed high catalytic activity towards the oxidation of polyphenols and could be used for their determination.
Article
Chemistry, Multidisciplinary
B. Brozek-Pluska, K. Beton
Summary: The study demonstrated the protective effect of beta-carotene against oxidative stress injury induced by tBHP in human normal colon cells, alleviating damage and preventing cell apoptosis. Treatment with beta-carotene altered the level of reactive oxygen species (ROS) and its antioxidant role was confirmed using label-free Raman techniques.
Article
Chemistry, Multidisciplinary
Beata Brozek-Pluska, Krystian Miazek, Jacek Musial, Radzislaw Kordek
Article
Chemistry, Physical
Xinlei Chen, Shiyi Chen, Xuele Lin, Jingxuan Zhou, Xingjun Gao, Yaoqi Zhen, Xiaodan Ma, Shouwen Jin, Linfang Shi, Hui Liu, Daqi Wang
Summary: Nine mixed-ligand Cd2+ complexes with different geometric structures were synthesized and characterized. The complexes exhibit various coordination modes and form both intra- and intermolecular hydrogen bonds.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Rupali Mahajan, Abhishek Sharma, Bhagyashree Patra, Lijo Mani, Parul Grover, Sandeep Kumar, Santosh Kumar Guru, Gananadhamu Samanthula, Amol G. Dikundwar, Amit Asthana
Summary: This research article provides a comprehensive characterization and toxicological assessment of a photoisomeric impurity of the antianemic drug Roxadustat. The impurity has a distinct structure compared to the drug and its formation due to light exposure is a concern. Through various experiments, including single crystal XRD, physicochemical characterization, and in vitro cytotoxicity assays, the researchers confirmed the structure of the impurity, evaluated its conversion with Roxadustat, and assessed its toxicological activity. These findings contribute to the understanding of drug stability, safety, and formulation development.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Laila S. Alqarni, Azzah M. Alghamdi, Nuha Y. Elamin, A. Rajeh
Summary: The solution casting method was used to produce a new type of nanocomposites made of chitosan, gelatin, and co-doped ZnO nanoparticles. The addition of 3.5% co-doped ZnO nanoparticles improved the physicochemical characteristics and antimicrobial effects of the nanocomposites, indicating their significant potential in food packaging and energy storage.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ruchi Gaur
Summary: The structure and intermolecular interactions of a newly synthesized bis-chalcone THXA were studied using experimental and computational methods. The importance of non-covalent interactions such as pi center dot center dot center dot pi, C-H center dot center dot center dot S, and C-H center dot center dot center dot pi was revealed.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Andrii Bazylevich, Leonid Patsenker, Sarit Aviel-Ronen, Gary Gellerman
Summary: Drug combination therapy is commonly used for treating various skin disorders, but its effectiveness is often limited. In this study, researchers synthesized conjugates of anti-pigmenting drugs and hyaluronic acid (HA) to improve treatment efficacy. These HA-drug conjugates exhibited measurable drug release profiles and demonstrated superior depigmentation effects compared to control groups in a swine model.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Xiaodan Ma, Xinlei Chen, Yaoqi Zhen, Xunjie Zheng, Chengzhe Shi, Shouwen Jin, Bin Liu, Bin Chen, Daqi Wang
Summary: Cocrystallization experiments between minoxidil and aryl acids coformers resulted in the successful formation of multi-component samples. The nature of these samples was determined using various techniques and their structural and supramolecular aspects were investigated. The outcomes revealed the importance of nonbonding contacts and different types of interactions in stabilizing and expanding the crystal structures.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Najla A. Alshaye, Magdy A. Ibrahim, Al-Shimaa Badran
Summary: The chemical behavior of 3-substituted-6,8-dimethylchromones towards phenylhydrazine was examined. Different reaction conditions produced various products, and the molecular geometries and reactivity descriptors of the compounds were also investigated. The results suggest that these compounds are suitable for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Hayette Alliouche, Houria Bouria, Rafik Bensegueni, Mounia Guergouri, Abdelmalek Bouraiou, Ali Belfaitah
Summary: In this paper, a combined experimental and theoretical study was conducted to synthesize and characterize new 2-quinolone-piperidine and -morpholine hybrids. The results from experiments were validated using computational calculations, and the affinity between these compounds and Acetylcholinesterase/Butyrylcholinesterase was estimated through molecular docking.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Wei-Min Chen, Juan-Juan Shao, Yi Zhang, Zhen-Dong Xue, Peng-Lai Liu, Jian-Ling Ni, Li-Zhuang Chen, Qiang Gao, Fang-Ming Wang
Summary: This study synthesized and characterized a novel Mn-based LMOF, and achieved good results in detecting heavy metal Al3+ in water, showing good stability, high selectivity and sensitivity. This provides new insights into the potential applications of Mn-based MOFs in chemical sensing.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Jun-Xia Li, Yi-Jing Lu, Ke-Ying Quan, Li-Bing Wu, Xun Feng, Wei-Zhou Wang
Summary: This study synthesized two cobalt(II) complexes and analyzed their crystal structures using single-crystal X-ray diffraction. The results showed that the crystal structures of these complexes were different, and they exhibited different crystal packing and magnetic properties.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Yang Li, Yan Zhang, Hong Xu, Min Li, Zhen Li, Zi-yu Song, Ji-shi Chen, Yan-Jun Liu, Yong Sun, Zhao Yang
Summary: This study reports the synthesis and solid-state characterization of a new pharmaceutical cocrystal, PRO-BPE, which can enhance the solubility of the highly water-insoluble prodrug probenecid. The PRO-BPE cocrystals were found to have superior water solubility compared to pure PRO. This research provides valuable insights into improving the solubility of poorly soluble drugs.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Lucas G. B. Felicio, Bianca B. M. Vieira, Ivana S. Lula, Renata Diniz, Frank Alexis, Flavio B. Miguz, Frederico B. De Sousa
Summary: A novel spiropyran derivative was synthesized for heavy metals sensing in water. The results demonstrated that the new derivative can serve as a rapid, sensitive, and simple tool for detecting Hg2+ ions in water with high selectivity.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Junqing Meng, Jie Wang, Lijuan Wang, Chunhui Lyu, Haiyan Chen, Yingpei Lyu, Baisheng Nie
Summary: Material modification with low surface energy can achieve lower surface free energy on micro-and nano-rough structures, which is crucial for developing superhydrophobic surfaces. In this study, attapulgite (APT) was modified with alkylamine, alkylammonium salt, and stearic acid, and the interaction between low surface materials and attapulgite was explained. The results showed that the hydrophobicity of APT was significantly modified by the modifiers, and the surface free energy of the composites first decreased and then increased with increasing molecular number of low surface energy monomers.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Karan Goswami, Dipak Das, Parthasarathi Bera, Sounak Roy, Md. Motin Seikh, Prasanta Kumar Sinha, Arup Gayen
Summary: This work presents the development of a simple and highly active heterogeneous Pd catalyst for Suzuki-Miyaura carbon-carbon cross-coupling reaction. The NiPdFe-1 catalyst shows the best activity and stability among the prepared catalysts. It efficiently promotes the coupling reaction between aryl bromide and phenyl boronic acid under mild reaction conditions with high isolated yields.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ekta Pardhi, Devendra Singh Tomar, Rahul Khemchandani, Gananadhamu Samanthula, Pankaj Kumar Singh, Neelesh Kumar Mehra
Summary: The main aim of this study was to prepare a drug-drug coamorphous system to improve the physiochemical properties, solubility and stability of Apremilast and Indomethacin. Various solid-state characterization techniques were used to characterize the prepared system. Molecular level interactions were studied using molecular modeling and ATR-FTIR and 1H NMR. Solubility and dissolution studies showed the benefits of the coamorphous system. The system was found to be stable for a period of five months. Permeation study also demonstrated improved flux for both drugs compared to their crystalline forms. The coamorphous system showed anti-psoriatic and anti-melanogenic activity based on molecular docking results. Overall, the developed CAM-based supersaturated system exhibited improved physicochemical properties and physical stability.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
