Previous work using infrared spectroscopy has shown potential for rapid discrimination between bacteria in either their sporulated or vegetative states, as well as between bacteria and other common interferents. For species within one physiological state, however, distinction is far more challenging, and requires chemometrics. In the current study, we have narrowed the field of study by eliminating the confounding issues of vegetative cells as well as growth media and focused on using IR spectra to distinguish only between different species all in the sporulated state. Using principal component analysis (PCA) and a classification method based upon similarity measurements, we demonstrate a successful identification rate to the species level of 85% for Bacillus spores grown and sporulated in a glucose broth medium.
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http://dx.doi.org/10.1016/j.aca.2009.08.005 | DOI Listing |
J Phys Chem Lett
January 2025
Key Laboratory of Advanced Light Conversion Materials and Biophotonics, School of Chemistry and Life Resources, Renmin University of China, Beijing 100872, P. R. China.
Chlorophyll (Chl) is the most abundant light-harvesting pigment of oxygenic photosynthetic organisms; however, the Q-band energetics and relaxation dynamics remain unclear. In this work, we have applied femtosecond time-resolved (-TA) absorption spectroscopy in 430-1,700 nm to Chls and in diluted pyridine solutions under selective optical excitation within their Q-bands. The results revealed distinct near-infrared absorption features of the B ← Q and B ← Q transitions in 930-1,700 nm, which together with the steady-state absorption in 400-700 nm unveiled the Q-state energy that lies 1,000 ± 400 and 600 ± 400 cm above the Q-state for Chls and , respectively.
View Article and Find Full Text PDFPLoS One
January 2025
Sustainability and Environmental Education, Goshen College, Goshen, IN, United States of America.
Human exposure to mycotoxins is common and often severe in underregulated maize-based food systems. This study explored how monitoring of these systems could help to identify when and where outbreaks occur and inform potential mitigation efforts. Within a maize smallholder system in Kongwa District, Tanzania, we performed two food surveys of mycotoxin contamination at local grain mills, documenting high levels of aflatoxins and fumonisins in maize destined for human consumption.
View Article and Find Full Text PDFPLoS One
January 2025
Woodwell Climate Research Center, Falmouth, MA, United States of America.
Soil spectroscopy is a widely used method for estimating soil properties that are important to environmental and agricultural monitoring. However, a bottleneck to its more widespread adoption is the need for establishing large reference datasets for training machine learning (ML) models, which are called soil spectral libraries (SSLs). Similarly, the prediction capacity of new samples is also subject to the number and diversity of soil types and conditions represented in the SSLs.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, United States.
When dielectrics are hit with intense infrared (IR) laser pulses, transient metalization can occur. The initial attosecond dynamics behind this metallization are not entirely understood. Therefore, simulations are needed to understand this process and to help interpret experimental observations of it, such as with attosecond transient absorption (ATA).
View Article and Find Full Text PDFJ Mol Model
January 2025
School of Chemical and Environmental Engineering, China University of Mining and Technology-Beijing, Haidian District, Ding No.11 Xueyuan Road, Beijing, 100083, People's Republic of China.
Context: Understanding the structural characteristics of coal at the molecular level is fundamental for its effective utilization. To explore the molecular structure characteristic, the long-flame coal from Daliuta (DLT), coking coal from Yaoqiao (YQ), and anthracite from Taixi (TX) were investigated using various techniques such as elemental analysis, Fourier transform infrared spectroscopy, solid-state C nuclear magnetic resonance spectroscopy, and X-ray photoelectron spectroscopy. Based on the structural parameters, the coal molecular model was constructed and optimized.
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