Article
Automation & Control Systems
Ruoqiu Zhang, Zhaocong Shang, Siqian Lu, Nan Jia, Xin Jiang, Zhengyu Pu, Yiping Du, Yun Hu
Summary: A new method named SPCV is proposed in this study to advance Raman spectral library search by partitioning spectra based on Voigt function and correcting inconsistent peak intensity. The results demonstrate that SPCV can significantly increase Pearson's correlation coefficient values and improve the performance of spectral matching. Furthermore, SPCV outperforms other indexes in terms of matching accuracy rate, making it a promising candidate for enhancing library-based Raman spectral matching.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2021)
Article
Chemistry, Analytical
Jim Nonomiya, Ke Sherry Li, Brett M. Babin, Melinda M. Mulvihill
Summary: Interest in covalent drug discovery has increased following the success of covalent inhibitors targeting BTK and KRAS G12C approved by the FDA. High-throughput screening by intact protein mass spectrometry is commonly used to identify lead compounds, but it does not provide binding site information. This article introduces CoMPAS, a new targeted mass spectrometry-based covalent screening method that provides binding site information in the initial screen and offers advantages such as higher sensitivity and reduced protein reagent requirements.
ANALYTICAL CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Scott A. Lawrence, Hannah F. Robinson, Daniel P. Furkert, Margaret A. Brimble, Monica L. Gerth
Summary: Phytophthora, a genus of microorganisms causing devastating plant diseases, poses a significant economic threat to crops and ecosystems globally. Current chemical control methods are limited and facing challenges of resistance, highlighting the urgent need for new chemical treatments. Natural products may offer promising leads for developing effective anti-Phytophthora agrochemicals.
Article
Spectroscopy
Michael Appell, David L. Compton, Wayne B. Bosma
Summary: Mycotoxins, such as zearalenone, produced by fungi can contaminate agricultural commodities and pose health risks. This study used Raman and ultraviolet spectroscopy with density functional theory methods to differentiate between zearalenone and alpha-zearalanol based on their spectroscopic properties.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Review
Medicine, Research & Experimental
Yau-Tuen Chan, Yuanjun Lu, Junyu Wu, Cheng Zhang, Hor-Yue Tan, Zhao-xiang Bian, Ning Wang, Yibin Feng
Summary: CRISPR-Cas9 is a powerful gene editing tool that allows high-precision genetic engineering of the genomes of all organisms. The latest advancements include genome library screening, which can detect survival-essential and drug resistance genes. This technology has various applications in anti-cancer drug discovery.
Article
Agriculture, Dairy & Animal Science
Aikebaier Reheman, Di Lu, Yifan Wang, Xi Chen, Gang Cao, Chuanxing Wan
Summary: M. tuberculosis (M.tb) is the leading cause of tuberculosis (TB), a global infectious disease with high mortality rates. The emergence of drug-resistant M.tb has made TB control more challenging. In this study, we investigated the anti-M.tb potential of microbial fermentation products isolated from soil. We identified four fermentation products that exhibited anti-M.tb activity in vitro and in intracellular bacteria. Furthermore, these products were found to down-regulate the expression of essential genes for M.tb growth. Our findings suggest that microbial fermentation products have potential for the development of anti-M.tb drugs.
Article
Chemistry, Multidisciplinary
Anton Ribbenstedt, Jonathan P. Benskin
Summary: A method was developed for rapid screening of xenobiotic biotransformation products in single zebrafish embryos, identifying a total of 8 propranolol bioTPs. These findings supplement toxicometabolomic models and demonstrate bioTP elucidation can be achieved using extremely small biomass quantities.
Review
Biochemistry & Molecular Biology
Irina Chikileva, Irina Shubina, Anzhelika-Mariia Burtseva, Kirill Kirgizov, Nara Stepanyan, Svetlana Varfolomeeva, Mikhail Kiselevskiy
Summary: COVID-19 poses challenges to protective immunity, especially for the elderly and immunocompromised individuals. DC vaccines and CAR lymphocyte therapy may be promising approaches for immunization and antiviral treatment. A novel and universal CAR lymphocyte method based on neutralizing monoclonal antibodies is proposed.
Article
Biochemistry & Molecular Biology
Sylwia Magdalena Berus, Monika Adamczyk-Poplawska, Katarzyna Gozdzik, Grazyna Przedpelska, Tomasz R. Szymborski, Yuriy Stepanenko, Agnieszka Kaminska
Summary: Accurate identification of vaginal microorganisms is crucial for understanding the transition from beneficial symbiotic to pathogenic bacteria and the pathogenesis of vaginal bacterial vaginosis and infections. This study utilized surface-enhanced Raman spectroscopy (SERS) to compile spectral signatures of important vaginal microorganisms and pathogens, contributing to the development of a spectral SERS database. The results showed unique spectral fingerprints for each microorganism, allowing for discrimination between different species. Furthermore, Partial Least Squares Regression (PLSR) revealed discriminating variables for specific compounds in the outer structure of microorganisms, which could be used as marker bands in clinical analysis.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Analytical
Zhenlong Zhang, Zhe Wang, Ying Luo, Jiaqian Zhang, Duan Tian, Yongde Zhang
Summary: Traditional methods for obtaining soil heavy metal content are expensive, inefficient, and limited in monitoring range. This study applied visible near-infrared spectroscopy and XRF spectroscopy for monitoring heavy metal content in soil, and established a quantitative model using spectral fusion. The accuracy and efficiency of the estimation model using the CARS algorithm were superior, and the CVM fusion strategy showed the highest accuracy.
Article
Medicine, General & Internal
Ming-Jer Jeng, Mukta Sharma, Cheng-Chia Lee, Yu-Sheng Lu, Chia-Lung Tsai, Chih-Hsiang Chang, Shao-Wei Chen, Ray-Ming Lin, Liann-Be Chang
Summary: Raman spectroscopy can be used to differentiate urine samples from non-AKI and AKI patients, with AKI patients showing higher levels of nitrogenous compounds, porphyrin, tryptophan, and neopterin. The study's findings suggest the potential for implementing an in vivo RS approach for the detection of AKI diseases.
JOURNAL OF CLINICAL MEDICINE
(2022)
Article
Biochemistry & Molecular Biology
Sa Dong, Lingjun Guan, Kangli He, Wenchao Yang, Wei Deng, Shuzhong Yuan, Jianguo Feng
Summary: The study utilized the anti-idiotypic antibody technique to screen for clones from a human domain antibody library that can simulate Cry1A toxins, with clone D6 showing the most significant competitive binding ability with anti-Cry1A polyclonal antibodies. This provides a potential avenue for the development of Cry toxin simulants.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Chemistry, Applied
Xiao Wei, Fang Li, Anand Babu Perumal, Alireza Sanaeifar, Mahamed Lamine Guindo, Yongqiang Shi, Yong He, Fei Liu
Summary: This study investigated the feasibility of using confocal Raman microspectroscopy (CRM) combined with spectral screening algorithms for quantitative detection of starch in rice. The experimental results demonstrated that after proper pre-processing and spectral screening algorithm, CRM could swiftly and accurately detect the starch content in rice.
FOOD HYDROCOLLOIDS
(2023)
Article
Materials Science, Biomaterials
Chao Zhou, Juntao Zhou, Xiaoqing Ma, Dicky Pranantyo, Jingjing Li, Liqun Xu, Vinh X. Truong
Summary: In this study, stable anti-infective and self-healable multilayer coatings were successfully fabricated on stainless steel surfaces using a three-step procedure. These coatings exhibited rapid self-healing properties and effective antibacterial activity.
MATERIALS SCIENCE & ENGINEERING C-MATERIALS FOR BIOLOGICAL APPLICATIONS
(2021)
Article
Chemistry, Medicinal
Ashima Chopra, Joseph D. Bauman, Francesc X. Ruiz, Eddy Arnold
Summary: X-ray crystallographic fragment screening (XCFS) utilizes fragment-sized molecules to access binding sites on proteins that may be inaccessible to larger drug-like molecules. This study focused on halogenated fragments, which have been shown to bind to proteins more frequently than non-halogenated fragments. The Halo Library containing 46 halogenated fragments was screened against HIV-1 reverse transcriptase crystals, resulting in the discovery of new binding sites and identification of hot spots. This small library can be a useful tool for quickly assessing target feasibility, mapping hot spots and cryptic sites, and finding fragment binders for drug lead development.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)