Fourier transform infrared (FT-IR) spectroscopy has been used for several years as a fast, low-cost, reliable technique for characterising a large variety of materials. However, the strong influence of sample particle size and the inability to measure the absorption of very dark and opaque samples have made FTIR unsuitable for many waste materials. FTIR-photoacoustic spectroscopy (FTIR-PAS) can eliminate some of the shortcomings of traditional FTIR caused by scattering effects and reflection issues, and recent advances in PAS technology have made commercial instruments available. In this study, FTIR-PAS was used to characterise a wide range of organic waste products and predict their labile carbon fraction, which is normally determined from time-consuming assays. FTIR-PAS was found to be capable of predicting the labile fraction of carbon as efficiently as near infrared spectroscopy (NIR) and furthermore of identifying the compounds that are correlated with the predicted parameter, thus facilitating a more mechanistic interpretation.
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http://dx.doi.org/10.1016/j.wasman.2015.02.029 | DOI Listing |
Curr Biol
December 2024
Department of Pharmacology, Vanderbilt Brain Institute, Vanderbilt Center for Addiction Research, Vanderbilt University, Nashville, TN 37232, USA; Department of Anatomy, Cell Biology, & Physiology, Indiana University School of Medicine, Indianapolis, IN 46202, USA. Electronic address:
Human and non-human primate studies clearly implicate the dorsolateral prefrontal cortex (dlPFC) as critical for advanced cognitive functions. It is thought that intracortical synaptic architectures within the dlPFC are the integral neurobiological substrate that gives rise to these processes. In the prevailing model, each cortical column makes up one fundamental processing unit composed of dense intrinsic connectivity, conceptualized as the "canonical" cortical microcircuit.
View Article and Find Full Text PDFInorg Chem
December 2024
Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Transition metal mechanophores exhibiting force-activated spin-crossover are attractive design targets, yet large-scale discovery of them has not been pursued due in large part to the time-consuming nature of trial-and-error experiments. Instead, we leverage density functional theory (DFT) and external force explicitly included (EFEI) modeling to study a set of 395 feasible Fe and Co mechanophore candidates with tridentate ligands that we curate from the Cambridge Structural Database. Among nitrogen-coordinating low-spin complexes, we observe the prevalence of spin crossover at moderate force, and we identify 155 Fe and Co spin-crossover mechanophores and derive their threshold force for low-spin to high-spin transition ().
View Article and Find Full Text PDFEnviron Monit Assess
December 2024
Instituto de Química Física de Materiales, Ambiente y Energía (INQUIMAE), Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón II, Piso 1, C1428EHA, Buenos Aires, Argentina.
Arsenic is a well-known toxic substance, widely distributed, whereas vanadium is a pollutant of emerging interest. Both have been found to correlate positively in groundwaters, thus concern arises on the effect of these pollutants on crops, if such waters are used for irrigation. We conducted a study on the effect of aging with a typical crop soil mimicking soils initially irrigated with water containing As and V.
View Article and Find Full Text PDFJ Chem Phys
December 2024
Department of Chemical Engineering, University of Massachusetts Amherst, Amherst, Massachusetts 01003, USA.
We have performed a data science study of Monte Carlo (MC) simulation trajectories to understand factors that can accelerate the formation of zeolite nanoporous crystals, a process that can take days or even weeks. In previous work, MC simulations predicted and experiments confirmed that using a secondary organic structure-directing agent (OSDA) accelerates the crystallization of all-silica LTA zeolite, with experiments finding a three-fold speedup [Bores et al., Phys.
View Article and Find Full Text PDFChemosphere
December 2024
College of Horticulture and Landscape Architecture, Heilongjiang Bayi Agricultural University, Daqing 163319, China. Electronic address:
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