Article
Spectroscopy
Yongwei Duan, Quancheng Liu, Yiju Zhu, Qi Zhang, Xiaohui Duan, Hu Deng, Liping Shang
Summary: In this study, the phase transition of CL-20 was observed using terahertz spectroscopy, and quantum chemical calculations were employed to analyze the vibrations. The results indicated changes in the vibrations of CL-20 before and after phase transition.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Mengyuan Liu, Hanchuang Zhu, Yikun Fang, Caiyun Liu, Xinke Li, Xiaohui Zhang, Lixue Ma, Kun Wang, Miaohui Yu, Wenlong Sheng, Baocun Zhu
Summary: ABHS is an efficient fluorescent probe that can accurately and sensitively detect Al3+ with strong resistance to interference. It also demonstrates excellent detection and imaging capabilities in complex real samples.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yasmin Rostom, Mamdouh R. Rezk, Mina Wadie, Ezzat M. Abdel-Moety, Hoda M. Marzouk
Summary: This study developed three smart, innovative, and white spectrophotometric methods for simultaneous determination of Silodosin and Solifenacin in the treatment of benign prostatic hyperplasia. These methods were superior to conventional ones and overcame challenges in the absorption spectrum of Solifenacin. The validity of the methods was confirmed according to ICH guidelines, and the content uniformity of dosage units was also verified. The environmental friendliness of the methods was assessed and found to be in adherence with the principles of white analytical chemistry.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Qingbo Li, Rui Liu, Zhiqi Bi
Summary: This paper proposes a total pollution source analysis method based on spectral unmixing, using unsupervised autoencoder neural network to identify and determine water pollution types, and to determine the types of pollutant discharge enterprises. The experimental results show that the proposed method has improved accuracy in identifying mixed pollution sources and simultaneous emission of multiple pollution sources. This is of great significance for the protection of water resources and pollution source control.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
XingYue Yuan, ZhiChao Yu, JianHang Hu, Bo Xiao, TingTing Zhang, Kui Li, Chang Chen, Zhu Tao, Xin Xiao
Summary: In this study, fluorescent nitrogen doped carbon quantum dots (CQDs) were synthesized using cucurbit[6]uril (Q[6]) and mandelic acid (MA) via a hydrothermal method. The performance of the Q[6]-CQDs was characterized by fluorescence and NMR spectroscopy, and the crystal structure of Q[6]-MA-[CdCl4]2- was determined by X-ray crystallography. A universal fluorescent probe for detecting and recognizing various ions was developed based on the Q[6]-CQDs, showing good water solubility and stable optical properties.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Xiufeng Wang, Yao Jin, Wenhui Ai, Siqi Wang, Zhiqing Zhang, Ting Zhou, Fang Wang, Guodong Zhang
Summary: This study successfully synthesized near infrared fluorescence Ag2S quantum dots (QDs) and developed a dual-mode sensor for sulfide anion using the excellent oxidase-like characteristics of manganese dioxide (MnO2) nanosheets. The sensor showed a wider detection range, higher sensitivity, and shorter reaction time, making it suitable for highly selective detection of sulfide in different concentration ranges.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Xiaoyu Zhang, Aoran Fan, Zixin Shu, Weigang Ma, Xing Zhang
Summary: This study used the large laser spot-swift mapping SERS method to measure 24 metabolite standards, providing reliable references for Raman-based metabolomics. In addition to the SERS spectra data, the study extracted and explained the molecular vibration information of these metabolites, and combined with DFT calculations, providing a new possibility for fast Raman recognition of small-molecule metabolites. The established large laser spot-swift mapping SERS database of metabolites could play an important role in metabolomics and other Raman-related research.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Tiantian Zhang, Yan Huang, Xiuqin Chen, Fangmei Zheng, Yating Shen, Guizhi Chen, Qiuhao Ye, Kuizhi Chen, Xiufeng Xiao, Yiru Peng
Summary: This study designed and synthesized two aggregation-induced emission (AIE) fluorescence probes targeting lysosomes. By using a biocompatible polymer as a nanocarrier, the water solubility and cellular accumulation of the probes were enhanced. The fluorescent nanoprobes exhibited excellent cell permeability, biocompatibility, photostability, and specific targeting towards lysosomes in cancer cells.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yanpeng Zhang, Yousuo Zhang, Jucai Yang, Caixia Dong, Xiaojun Li
Summary: The structural evolution, chemical stability, electronic and vibrational properties of TiSnn0/-/2- (n = 4-17) clusters were investigated using density functional theory calculations and the ABCluster search technique. It was found that the growth patterns of these clusters follow three absorbed stages and the TiSn16 cluster exhibits high thermodynamic stability and preferable photochemical reactivity. This study provides insights into the characteristics of nanoalloy clusters as building units.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Lee Chin-Heng, Tsai Chun-Hung, Lin Ding-Zheng
Summary: Uniformity, sensitivity, reproducibility, and cost are critical parameters for practical surface-enhanced Raman spectroscopy (SERS) substrates. In this study, a high-aspect-ratio nano-pillar-array (HARNPA) substrate deposited with silver using physical vapor deposition (PVD) methods was proposed to fabricate high-performance SERS substrates. By introducing a two-stage intermittent sputtering process, the limitations of Raman background induced by polymer exposure and lower enhancement factor were addressed. The proposed SERS substrates exhibited easy fabrication, high sensitivity, reproducibility, and excellent uniformity, making them suitable for future mass production.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Lou C. G. D'haese, Nicolas Daugey, Delphine Pitrat, Thierry Brotin, Josef Kapitan, Vincent Liegeois
Summary: This study focuses on simulating the Raman optical activity (ROA) spectra of Cryptophane-111 with and without xenon encapsulation. The presence of xenon was found to slightly affect the ROA signatures at low wavenumbers, but the experimental decrease in ROA intensity was not reproduced in the simulations.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Huanyu Li, Jun Wang, Xiaoyun Li, Xianhong Zhu, Shaomei Guo, Hongluan Wang, Jie Yu, Xiaoqun Ye, Fan He
Summary: This study used Fourier Transform Infrared (FTIR) spectroscopy to explore the accuracy of early diagnosis of lung cancer. The results showed that by distinguishing specific ratios in patients' serum, lung cancer patients can be effectively differentiated from patients with benign nodules.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Jesvin Joseph, Lukas Spantzel, Maryam Ali, Dijo Moonnukandathil Joseph, Sebastian Unger, Katharina Reglinski, Christoph Krafft, Anne-Dorothea Mueller, Christian Eggeling, Rainer Heintzmann, Michael Boersch, Adrian T. Press, Daniela Taeuber
Summary: The recently developed PiF-IR microscopy offers high spectral resolution, surface sensitivity, and nanoscale spatial resolution. It has the potential to characterize cellular structures at the single-molecule level. PiF-IR was applied to polymerized F-Actin samples and mouse liver tissue, showing variations in contrast. However, interpreting and validating the data is challenging due to the presence of other proteins and the unique spatial resolution of PiF-IR.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Leo Mandic, Ivan Ljubic, Iva Dzeba
Summary: In this study, a combined experimental and computational approach was used to investigate the photoexcitation and photodegradation mechanisms of Doxazosin (DOX). The results provide valuable insights into the primary events following the photoexcitation of DOX and its potential applications.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Pei-Rong Chen, Li-Kang Chu
Summary: In this study, the hydrates of glyoxal were investigated using infrared absorption spectrometry. The results showed that at low concentrations, glyoxal mainly exists as monomeric dihydrate. These findings provide suitable detection windows for further research on the roles of glyoxal and its hydrates in atmospheric and aerosol chemistry, as well as the relevant reaction kinetics.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Somaye Shahraki, Hojat Samareh Delarami, Zohreh Razmara, Ameneh Heidari
Summary: This study investigated the interaction between the anticancer drug FUDR and two important iron-related proteins, BLC and TF. The results showed that FUDR has a strong protective effect in high concentrations and can reduce fluorescence emission intensity through a static mechanism. The binding strength of FUDR with both proteins is similar and mainly involves van der Waals interactions and hydrogen bonds.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Nichole O'Neill, Thamires A. Lima, Fabio Furlan Ferreira, Nicolas J. Alvarez, Reinhard Schweitzer-Stenner
Summary: This study determines the main fibril axis of GHG gel-forming fibrils using various techniques and compares the results with simulated data. The analysis suggests that the hydrophobic xz-surfaces of GHG fibrils could be a good target for the adsorption of hydrophobic drugs.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Pablo G. Cataldo, Maximiliano A. Iramain, Maria V. Castillo, Maria E. Manzur, Elida Romano, Silvia Antonia Brandan
Summary: In this study, the three different cyclic dimers and a tetramer of adenine were studied using experimental and computational methods. The vibration spectra were analyzed to understand the characteristics of N-H & sdot;& sdot;& sdot;N interactions and the assignments of bands. The results from experiments and calculations were consistent, confirming the presence of cyclic dimers and tetramer in solution.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Hui Dai, Huiwen Zeng, Hualiu Li, Jie Long, Kar Wei Ng, Yuhai Wang, Bingjia Xu, Guang Shi, Zhenguo Chi, Cong Liu
Summary: This study synthesized four compounds with different luminescent properties by controlling the electron-donor substitution of ESIPT molecules. Two of these compounds exhibited high solid-state quantum yields and large Stokes shifts due to the synergistic effect of aggregation-induced emission (AIE) and ESIPT. They showed excellent performance in detecting F-.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Hyeong-Min Kim, Hyo-Jun Kim, Jae-Hyoung Park, Seung-Ki Lee
Summary: In this study, gold-palladium bimetallic nanodisks were successfully patterned on optical fibers, exhibiting high refractive index sensitivity and excellent hydrogen sensing performance. The fiber-optic plasmonic nanoprobe, based on nanosphere lithography and chemical growth, has the advantages of high throughput and low cost, making it suitable for remote sensing to detect dangerous environments in the clean energy era.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
