Fourier Transform Infrared Measurements Research Articles

Isotope Reverse-Labeled Infrared Spectroscopy as a Probe of In-Cell Protein Structure.

While recent years have seen great progress in determining the three-dimensional structure of isolated proteins, monitoring protein structure inside live cells remains extremely difficult. Here, we examine the utility of Fourier transform infrared (FTIR) spectroscopy as a probe of protein structure in live bacterial cells. Selective isotope enrichment is used both to distinguish recombinantly expressed NuG2b protein from the cellular background and to examine the conformation of specific residues in the protein. To maximize labeling flexibility and to improve spectral resolution between label and main-band peaks, we carry out isotope-labeling experiments in "reverse-labeling" mode: cells are initially grown in 13C-enriched media, with specific 12C-labeled amino acids added when protein expression is induced. 1 Because FTIR measurements require only around 20 μL of sample and each measurement takes only a few minutes to complete, isotope-labeling costs are minimal, allowing us to label multiple different residues in parallel in simultaneously grown cultures. For the stable NuG2b protein, isotope difference spectra from live bacterial cultures are nearly identical to spectra from isolated proteins, confirming that the structure of the protein is unperturbed by the cellular environment. By combining such measurements with site-directed mutagenesis, we further demonstrate that the local conformation of individual amino acids can be monitored, allowing us to determine, for example, whether a specific site in the protein contributes to α-helix or β-sheet structures.

NAIRDB: a database of Fourier transform infrared (FTIR) data for nucleic acids.

The Nucleic Acid InfraRed Data Bank (NAIRDB) serves as a comprehensive public repository dedicated to the archival and free distribution of Fourier transform infrared (FTIR) spectral data specific to nucleic acids. This database encompasses a collection of FTIR spectra covering diverse nucleic acid molecules, including DNA, RNA, DNA/RNA hybrids and their various derivatives. NAIRDB covers details of the experimental conditions for FTIR measurements, literature links, primary sequence data, information about experimentally determined structures for related nucleic acid molecules and/or computationally modeled 3D structures. All entries undergo expert validation and curation to maintain the completeness, consistency and quality of the data. NAIRDB can be searched by similarity of nucleic acid sequences or by direct comparison of spectra. The database is open for the submission of the FTIR data for nucleic acids. NAIRDB is available at https://nairdb.genesilico.pl.

Protein Microarrays for High Throughput Hydrogen/Deuterium Exchange Monitored by FTIR Imaging.

Proteins form the fastest-growing therapeutic class. Due to their intrinsic instability, loss of native structure is common. Structure alteration must be carefully evaluated as structural changes may jeopardize the efficiency and safety of the protein-based drugs. Hydrogen deuterium exchange (HDX) has long been used to evaluate protein structure and dynamics. The rate of exchange constitutes a sensitive marker of the conformational state of the protein and of its stability. It is often monitored by mass spectrometry. Fourier transform infrared (FTIR) spectroscopy is another method with very promising capabilities. Combining protein microarrays with FTIR imaging resulted in high throughput HDX FTIR measurements. BaF2 slides bearing the protein microarrays were covered by another slide separated by a spacer, allowing us to flush the cell continuously with a flow of N2 gas saturated with 2H2O. Exchange occurred simultaneously for all proteins and single images covering ca. 96 spots of proteins that could be recorded on-line at selected time points. Each protein spot contained ca. 5 ng protein, and the entire array covered 2.5 × 2.5 mm2. Furthermore, HDX could be monitored in real time, and the experiment was therefore not subject to back-exchange problems. Analysis of HDX curves by inverse Laplace transform and by fitting exponential curves indicated that quantitative comparison of the samples is feasible. The paper also demonstrates how the whole process of analysis can be automatized to yield fast analyses.

Identification of gamma irradiated polycarbonate-polybutylene terephthalate stiff polymer blend products using HS-GC/MS, FTIR and UV/Vis spectroscopy

In this study, the fragmentation products of Makro-blend stiff polymer due to gamma exposure were identified using Head space (HS), Gas Chromatography, and Mass Spectrometry (HS-GC/MS) techniques and Fourier Transform Infra-Red (FTIR) spectroscopy. As well the electronic transitions due to gamma exposure were examined using UV/Vis spectroscopy. For the un-irradiated and 10 kGy irradiated samples, one product was detected by (HS-GC/MS) method with a clear peak of Dimethoxyethane (MW = 90), which has a peak area percentage of 98.58% and 97.13%, respectively. With increasing gamma doses the number of identified components was increased. At 1200 kGy, ten components were detected: Biethylene (MW = 54), Dimethoxyethane (MW = 90), 1,1-Dimethoxy-2-propanone (MW = 118), 1,1-Dimethoxy-2-propanol (MW = 120), 1,1-Dimethoxycyclopentane (MW = 130), 1,1-Dimethoxyheptane (MW = 160), 1,1-Dimethoxyoctane (MW = 174), Dimethyl terephthalate (MW = 194), 4-(Diethoxymethyl) benzaldehyde (MW = 208), and Terephthalate dihexyl (MW = 334), which have peaks area percentages of 4.22, 2.98, 25.84, 2.2, 10.65, 38.86, 1.57, 5.91, 1.22, and 6.48, respectively. The recorded mass spectrum of each component confirms the molecular ion peak. The FTIR measurements demonstrate the decrease in the detected band intensities following gamma radiation. Accordingly, a chain scission occurs, which causes the carbonate bond to scission, resulting in the creation of a hydroxyl group and the (–H) abstraction from the backbone of the irradiation blend samples. The absorbance edge of the gamma-exposed samples shifted towards a higher wavelength. This pattern shows that the band gap energy is declining. The use of FTIR and HS-GC/MS in mass spectrometry analysis will be useful tools for examining radiation-induced polymeric fragments and advancing our understanding of the process underlying the creation of these fragments in polymers.

Fast Viral Diagnostics: FTIR-Based Identification, Strain-Typing, and Structural Characterization of SARS-CoV-2.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has triggered an ongoing global pandemic, necessitating rapid and accurate diagnostic tools to monitor emerging variants and preparedness for the next outbreak. This study introduces a multidisciplinary approach combining Fourier Transform Infrared (FTIR) microspectroscopy and Machine learning to comprehensively characterize and strain-type SARS-CoV-2 variants. FTIR analysis of pharyngeal swabs from different pandemic waves revealed distinct vibrational profiles, particularly in nucleic acid and protein vibrations. The spectral wavenumber range between 1150 and 1240 cm-1 was identified as the classification marker, distinguishing Healthy (noninfected) and infected samples. Machine learning algorithms, with neural networks exhibiting superior performance, successfully classified SARS-CoV-2 variants with a remarkable accuracy of 98.6%. Neural networks were also able to identify and differentiate a small cohort infected with influenza A variants, H1N1 and H3N2, from SARS-CoV-2-infected and Healthy samples. FTIR measurements further show distinct red shifts in vibrational energy and secondary structural alterations in the spike proteins of more transmissible forms of SARS-CoV-2 variants, providing experimental validation of the computational data. This integrated approach presents a promising avenue for rapid and reliable SARS-CoV-2 variant identification, enhancing our understanding of viral evolution and aiding in diagnostic advancements, particularly for an infectious disease with unknown etiology.

Influence of Sonication on the Molecular Characteristics of Carbopol® and Its Rheological Behavior in Microgels.

In this work, the effect of sonication on the molecular characteristics of polyacrylic acid (Carbopol® Ultrez 10), as well as on its rheological behavior in aqueous dispersions and microgels, was analyzed for the first time by rheometry, weight-average molecular weight (Mw) measurements via static light scattering (SLS), Fourier transform infrared (FTIR) spectroscopy and confocal microscopy. For this, the precursor dispersion and the microgels containing 0.25 wt.% of Ultrez 10 were sonicated in a commercial ultrasound bath at constant power and at different times. The main rheological properties of the microgel, namely, shear modulus, yield stress and viscosity, all decreased with increasing sonication time, while the microgel's Herschel-Bulkley (H-B) behavior, without thixotropy, was preserved. Also, Mw of Ultrez 10 decreased up to almost one-third (109,212 g/mol) of its original value (300,860 g/mol) after 180 min of sonication. These results evidence a softening of the gel microstructure, which results from the reduction in the Mw of polyacrylic acid with sonication time. Separately, FTIR measurements show that sonication produces scission in the C-C links of the Carbopol® backbone, which results in chains with the same chemistry but lower molecular weight. Finally, confocal microscopy observations revealed a diminution of the size of the microsponge domains and more free solvent with sonication time, which is reflected in a less compact and softer microstructure. The present results indicate that both the microstructure and the rheological behavior of Carbopol® microgels, in particular, and complex fluids, in general, may be manipulated or tailored by systematic high-power ultrasonication.

Doctor Blade Casting of Thin Films Containing Different Concentrated Endemic Plant Extracts: Determination of Structure and Optical Properties

This study provides a thorough properties of the optical analysis of the thin films which produced from Astragalus tokatensis Fisch., Helichrysum noeanum Boiss. and Stachys huber-morathii R. Bhattacharjee extracts. Methanol extracts of plants were obtained via Soxhlet extractor. The highest extract yield (10.10%) was determined in H. noeanum. Doctor blade coating method is used to make thin film layer on glass substrate. The optical behavior of the deposited films is tested by means of he UV-vis-near IR absorbance and transmittance characterization. It is found that the maximum transmittance spectra reaches nearly to a value of 90 % for A. tokatensis sample. Significantly, all the samples display same optical absorbace spectra behavior. Energy band gaps of the films are presented based on Tauc relation and were found to be in the range between 3.68-3.81 eV. Besides, the analysis of functional groups available in the materials is broadly studied by Fourier transform infrared (FT-IR) spectroscopy. FT-IR measurement also confirms that all produced films have carbohydrate pattern. These findings demonstrate a cost-efficient approach for the production of thin films with plant extraction, and open a new perspective on the potential applications of optoelectronic devices.

Measured and Modeled Trends of Seven Tropospheric Pollutants in the High Arctic From 1999 to 2022

AbstractThe long‐term trends and seasonality of many tropospheric pollutants are not well characterized in the high Arctic due to a dearth of trace‐gas measurements in this remote region. In this study, the inter‐ and intra‐annual variabilities of carbon monoxide (CO), acetylene (C2H2), ethane (C2H6), methanol (CH3OH), formaldehyde (H2CO), formic acid (HCOOH), and peroxyacetyl nitrate (PAN) in the high Arctic region were derived from the total column time‐series of ground‐based Fourier transform infrared (FTIR) measurements at Eureka, Nunavut (80.05°N, 86.42°W, 2006–2020) and Thule, Greenland (76.53°N, 68.74°W, 1999–2022). Consistent seasonal cycles were observed in the FTIR measurements at both sites for all species. Negative trends were observed for CO, C2H2, and CH3OH at both sites, and for HCOOH at Eureka. Positive trends were detected for C2H6 and H2CO at both sites, and for PAN at Eureka. Additionally, a 19‐year simulation was performed using the novel GEOS‐Chem High Performance model v14.1.1 for the period of 2003–2021. The model was able to reproduce the observed seasonality of all gases, but all species showed negative biases relative to observations, and CH3OH was found to have a particularly large bias of approximately −70% relative to the FTIR measurements. The GEOS‐Chem modeled trends broadly agreed with observations for all species except C2H6, H2CO, and PAN, which were found to have opposite trends in the model. For some species, the measurement‐model differences are suspected to be the result of errors or underestimations in the emissions inventories used in the simulation.

Exploring the effect of Er2O3 content on the structural, thermal, and physical characteristics of zinc silicate glasses

Glasses of chemical formula xEr2O3. (55-x) ZnO. 45SiO2 (x = 0, 0.5, 1, 3, 5, 7, 10, and 15 mol. %) were prepared using the melt-quenching route. The structure of the glasses was investigated by X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman, and NMR spectroscopy. XRD data confirmed that all zinc silicate glasses containing Er2O3 had an amorphous glassy structure. XRD showed the presence of two humps around 50° and 60° that are related to Er and Zn ions incorporated into the glass structure, and these humps' intensity changed with Er2O3 addition. The fraction of different silicate structural units is studied using FTIR and Raman spectroscopy, which is comparable to that obtained from the reported NMR values. FTIR, Raman, and NMR measurements confirmed the dual role of Er2O3 on the structure of zinc silicate glasses. Based on these results, Er2O3 content is below 5 mol. % entered as a glass modifier, creating more non-bridging oxygen atoms (NBO, increases Q1) while above 5 mol. % played a glass former, creating more bridging oxygen atoms (BO, increases Q2). Thermal heat treatment was applied for all glass samples according to DSC measurements. The thermal parameters have been discussed and correlated with the glass structure. The glass transition temperature (Tg) escalated from 377.3 at 5 mol. % to 391.04 °C at 15 mol. % Er2O3. The crystallization temperature (Tc) also increased from 548.27 °C to 598.37 °C, and the Vickers hardness (Hv) improved markedly from 646.4 kg/mm2 at 0 mol. % to 732.2 kg/mm2 at 15 mol. % Er2O3. XRD and FTIR results for glass samples after heat treatment for 24 h at 700 °C have been discussed regarding the crystallization of the glass matrix. These findings highlight the critical role of Er2O3 in modifying glass structure and properties, demonstrating its potential to enhance the glass matrix's durability and mechanical strength.

Classification of healthy and cancerous colon cells by Fourier transform infrared spectroscopy

Colorectal cancer is one of the most diagnosed types of cancer in developed countries. Current diagnostic methods are partly dependent on pathologist experience and laboratories instrumentation. In this study, we used Fourier Transform Infrared (FTIR) spectroscopy in transflection mode, combined with Principal Components Analysis followed by Linear Discriminant Analysis (PCA-LDA) and Partial Least Squares – Discriminant Analysis (PLS-DA), to build a classification algorithm to diagnose colon cancer in cell samples, based on absorption spectra measured in two spectral ranges of the mid-infrared spectrum. In particular, PCA technique highlights small biochemical differences between healthy and cancerous cells: these are related to the larger lipid content in the former compared with the latter and to the larger relative amount of protein and nucleic acid components in the cancerous cells compared with the healthy ones. Comparison of the classification accuracy of PCA-LDA and PLS-DA methods applied to FTIR spectra measured in the 1000–1800 cm−1 (low wavenumber range, LWR) and 2700–3700 cm−1 (high wavenumber range, HWR) remarks that both algorithms are able to classify hidden class FTIR spectra with excellent accuracy (100 %) in both spectral regions. This is a hopeful result for clinical translation of infrared spectroscopy: in fact, it makes reliable the predictions obtained using FTIR measurements carried out only in the HWR, in which the glass slides used in clinical laboratories are transparent to IR radiation.

Thermo-mechanical characteristics of spent coffee grounds reinforced bio-composites

Abstract This research examines the incorporation of spent coffee grounds (SCGs) into composite materials utilizing a three-part system composed of modified castor oil, polyester resin, and SCGs. The objective is to assess the mechanical, microstructural, and thermal characteristics of the resultant composites. The composite specimens underwent a thorough preparation and were tested through a battery of procedures comprising tensile testing, shore D hardness testing, SEM, FT-IR, and thermal conductivity measurements. Tensile testing revealed higher mechanical resilience, reinforcing the desirable properties of SCGs. The 5 % SCG-reinforced sample exhibited the highest tensile strength value, with a 41.85 % increase observed in comparison to the pure sample. The results of shore D hardness tests demonstrated that there was no significant change in material hardness up to 3 % additive content. However, a decrease in hardness was observed at higher additive rates. At a 7 % additive rate, there was a 2.82 % decrease in material hardness. Furthermore, the application of scanning electron microscopy (SEM) analysis has revealed the microstructural features of the composite matrix, which have highlighted the distribution of SCGs within it. The successful implementation of SCGs has also been verified by means of Fourier transform infrared (FT-IR) analysis. Finally, based on thermal conductivity measurements, it has been determined that SCGs are suitable for thermal insulation purposes. This study represents a significant contribution to the field of sustainable materials science, emphasising the potential benefits of SCGs in improving the effectiveness of composite materials.

Loading rutin on surfaces by the layer-by-layer assembly technique to improve the oxidation resistance and osteogenesis of titanium implants in osteoporotic rats

The purpose of this study was to construct a rutin-controlled release system on the surface of Ti substrates and investigate its effects on osteogenesis and osseointegration on the surface of implants. The base layer, polyethylenimine (PEI), was immobilised on a titanium substrate. Then, hyaluronic acid (HA)/chitosan (CS)-rutin (RT) multilayer films were assembled on the PEI using layer-by-layer (LBL) assembly technology. We used scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy and contact angle measurements to examine all Ti samples. The drug release test of rutin was also carried out to detect the slow-release performance. The osteogenic abilities of the samples were evaluated by experiments on an osteoporosis rat model and MC3T3-E1 cells. The results (SEM, FTIR and contact angle measurements) all confirmed that the PEI substrate layer and HA/CS-RT multilayer film were effectively immobilised on titanium. The drug release test revealed that a rutin controlled release mechanism had been successfully established. Furthermore, the in vitro data revealed that osteoblasts on the coated titanium matrix had greater adhesion, proliferation, and differentiation capacity than the osteoblasts on the pure titanium surface. When MC3T3-E1 cells were exposed to H2O2-induced oxidative stress in vitro, cell-based tests revealed great tolerance and increased osteogenic potential on HA/CS-RT substrates. We also found that the HA/CS-RT coating significantly increased the new bone mass around the implant. The LBL-deposited HA/CS-RT multilayer coating on the titanium base surface established an excellent rutin-controlled release system, which significantly improved osseointegration and promoted osteogenesis under oxidative stress conditions, suggesting a new implant therapy strategy for patients with osteoporosis.

Urban XCO2 Gradients From a Dense Network of Solar Absorption Spectrometers and OCO‐3 Over Mexico City

AbstractSatellite measurements of urban CO2 plumes offer a global approach to track CO2 emissions for large cities. To examine and to quantify the feasibility of space‐based monitoring, an intensive measurement campaign (MERCI‐CO2) using seven solar‐tracking Fourier transform infrared (FTIR) spectrometers has been conducted over the Mexico City Metropolitan Area (MCMA) to monitor urban emissions and to evaluate Snapshot Area Map (SAM) observations from the NASA's Orbiting Carbon Observatory‐3 (OCO‐3) mission. Once adjusted for their respective averaging kernels, we diagnosed a positive difference between OCO‐3 and FTIR column measurements (1.06 ppm). Thanks to this unprecedented amount of column observations over a large city, we demonstrate that XCO2 gradients within OCO‐3 SAMs align with the inter‐calibrated FTIR measurements (mean bias of 0.3 ppm), confirming the potential to track CO2 emissions from space over large metropolitan areas. XCO2 urban‐rural differences across the FTIR network, show a strong correlation with observed gradients, with Pearson's correlation coefficients (R) around 0.92. The correlation is significantly lower when considering intra‐urban gradients, where R drop to around 0.24. Simulated XCO2 enhancements (ΔXCO2) based on X‐STILT for both FTIR and OCO‐3 show relatively high correlations (R is around 0.6) using high‐resolution footprints and two gridded inventories. Spatial correlations with OCO‐3 improve when aggregating satellite retrievals at coarser resolutions (10 km). Our study demonstrates the capabilities of detecting urban gradients by FTIR network and OCO‐3 SAM observations over MCMA, a promising result to evaluate the evolution of MCMA's emissions over the coming decade.

Probing the stability and quality of the cellulose-based Pickering emulsion containing sesamolin-enriched sesame oil by chemometrics-assisted ATR-FTIR spectroscopy

This study presents the employment of Fourier transform infrared (FTIR) spectroscopy with attenuated total reflection and principal component analysis (PCA) to analyze the stability of a Pickering emulsion stabilized by carboxylated-cellulose nanocrystal (cCNC) comprising sesame oil phases with or without sesamolin. FTIR measurements identified an intermolecular hydrogen bond between the ester group of the triglyceride and the carboxyl group of the cCNC to create the emulsion droplet. The spectral bands from the hydroxyl group vibration (3700–3050 cm−1), carbonyl (1744 cm−1), CO groups of the ester triglyceride and cCNC (1160–998 cm−1) markedly discriminated between stabilized and destabilized emulsions. The PCA of FTIR spectra detected the change of molecular interaction during storage according to creaming, aggregation, and coalescence and changes in physicochemical parameters such as droplet size, refractive index, and zeta potential. Hence, PCA enabled the observation of the destabilization of emulsion in real-time.

Solar FTIR measurements of NOx vertical distributions – Part 1: First observational evidence of a seasonal variation in the diurnal increasing rates of stratospheric NO2 and NO

Abstract. Observations of nitrogen dioxide (NO2) and nitrogen oxide (NO) in the stratosphere are relevant to understand long-term changes and variabilities in stratospheric nitrogen oxide (NOx) and ozone (O3) concentrations. Due to the versatile role of NO2 and NO in stratospheric O3 photochemistry, they are important for recovery and build-up of O3 holes in the stratosphere and therefore can indirectly affect human life. Thus, we present in this work the evaluation of NO2 and NO stratospheric partial columns (> 16 km altitude) retrieved from ground-based Fourier-transform infrared (FTIR) measurements of over 25 years at Zugspitze (47.42° N, 10.98° E; 2964 m a.s.l.) and 18 years at Garmisch (47.47° N, 11.06° E; 745 m a.s.l.), Germany. The obtained stratospheric columns are only weakly influenced by tropospheric pollution and show only a very small bias of 2.5 ± 0.2 % when comparing NO2 above Zugspitze and Garmisch. Stratospheric columns of both NO2 and NO show a diurnal increase that depends on local solar time (LST). We quantified this behavior by calculating diurnal increasing rates. Here, we find mean values for the NO2 diurnal increasing rate of (0.89 ± 0.14) × 1014 and (0.94 ± 0.14) × 1014 cm−2 h−1 at Zugspitze and Garmisch, respectively. The mean NO morning diurnal increasing rate above Zugspitze is found to be (1.42 ± 0.12) × 1014 cm−2 h−1. Regarding the seasonal dependency of these increasing rates, for the first time, we were able to experimentally detect a significant seasonal variation in both NO2 diurnal increasing rates and NO morning diurnal increasing rates with a maximum of (1.13 ± 0.04) × 1014 cm−1 h−1 for NO2 and (1.76 ± 0.25) × 1014 cm−1 h−1 for NO in September and a minimum of (0.71 ± 0.18) × 1014 cm−1 h−1 in December for NO2 and a minimum of (1.18 ± 0.41) × 1014 cm−1 h−1 in November for NO. This similar behavior may be explained by the interconnection of both species in stratospheric photochemistry. The outcome of this work is a retrieval and analysis strategy of FTIR data for NOx stratospheric columns, which can help to further validate photochemical models or improve satellite validations. The first use of this data set is shown in the companion paper (Nürnberg et al., 2023) wherein experiment-based NOx scaling factors describing the diurnal increase in the retrieved partial columns are extracted and recently published model-based scaling factors are validated.

FTIR spectroscopy for assessment of hair from lung cancer patients and its application in monitoring the chemotherapy treatment effect

Lung cancer is the most common cancer and the leading cause of death in China. The current gold standard for clinical lung cancer diagnosis is based on histopathological examination of tumors, but it has the limitation for easy operation and convenient applications. Therefore, researchers are still striving to develop other tools and methods for non-invasive and rapid assessment of the health conditions of lung cancer patients. Hair, as a reflection of the metabolism of the body, is closely related to human health conditions. In principle, Fourier-transform infrared (FTIR) spectroscopy can probe the major chemical compositions in the hair. However, as indicated by previous studies, there is still the challenge to make good use of FTIR spectroscopy for achieving reliable analysis of hair from cancer patients. In this study, hair samples from 82 lung cancer patients were collected and subjected to FTIR measurements and analysis, which showed the protein content in the hair is closely related to the protein content in the blood serum of patients, and the contents of protein and lipid are statistically lower in the lung cancer patients. Furthermore, we demonstrated that FTIR spectroscopy could be employed to monitor the hair of lung cancer patients undergoing chemotherapy, and confirmed that the FTIR spectra of the hair may reflect the resultant effect of the chemotherapy. As such, this work validates the way of using FTIR spectroscopy in hair analysis for the assistance of medical diagnosis of lung cancer as well as monitoring the conditions of the patients under the medical treatment.

Waterborne 2-component polyurethane coatings based on acrylic polyols with secondary alcohols

We report the effects of increasing the molecular weight of a secondary alcohol-based polyol in a two-component waterborne polyurethane (2 K-WB-PUR) formulation. The system consists of an acrylic polyol latex and a water-dispersible polyisocyanate (hmPIC, Basonat HW1000 from BASF). The polyols investigated incorporated hydroxypropyl methacrylate as a comonomer to introduce the secondary –OH groups, in contrast to typical polyols which have primary -OH groups. Three molecular weights of this polyol were prepared (Mn ≈ 5100, Ð = 2.4; 10,300, Ð = 2.7; or 12,900 g/mol, Ð = 3.6) with a uniform Tg (∼20 °C) and hydrodynamic diameter (dh) ≈ 120 nm. The polyol and polyisocyanate were mixed with a molar NCO:OH ratio of 1.3:1. The particle size of the mixed dispersion was monitored by dynamic light scattering. The 5 K sample remained stable in dispersion over 7 days whereas the higher molecular weight formulations flocculated after 1 day. Fourier Transform Infrared (FTIR) measurements revealed that all NCO groups were consumed within 15–23 h for all dispersed samples. Fluorescence resonance energy transfer (FRET) experiments were carried out on samples in the dispersed state as well as on films formed from these dispersions. Very little molecular level mixing was observed in the dispersed phase for the samples. In the films, a large extent of mixing was observed in the 5 K sample whereas the extents of mixing for the higher molecular weight samples were reduced. The FTIR measurements recorded as the films formed showed that the NCO consumption in the 5 K film (t1/2 = 56 h) was comparable to an analogous 2 K-WB-PUR formulation based on a 5 K primary alcohol from a previous study. Surprisingly, the NCO consumption in the higher molecular weight samples was faster (t1/2 = 31, 32 h). We found that the composition of the resulting films formed from higher molecular weight polyols contained a greater relative ratio of polyurea to polyurethane.

Wound Dressing Based on Silver Nanoparticle Embedded Wool Keratin Electrospun Nanofibers Deposited on Cotton Fabric: Preparation, Characterization, Antimicrobial Activity, and Cytocompatibility.

Wool keratin (WK) protein is attractive for wound dressing and biomedical applications due to its excellent biodegradability, cytocompatibility, and wound-healing properties. In this work, WK-based wound dressings were prepared by depositing WK/poly(vinyl alcohol) (PVA) and silver nanoparticle (Ag NP)-embedded WK/PVA composite nanofibrous membranes on cotton fabrics by electrospinning. Ag NPs were biosynthesized by reduction and stabilization with sodium alginate. The formed Ag NPs were characterized by ultraviolet-visible and Fourier transform infrared (FTIR) spectroscopy, and their size was determined by transmission electron microscopy and image analysis. The formed Ag NPs were spherical and had an average diameter of 9.95 nm. The produced Ag NP-embedded WK/PVA composite nanofiber-deposited cotton fabric surface was characterized by FTIR and dynamic contact angle measurements, and the nanofiber morphologies were characterized by scanning electron microscopy. The average diameter of the nanofibers formed by 0.1% Ag NP-embedded WK/PVA solution was 146.7 nm. The antibacterial activity of the surface of cotton fabrics coated with electrospun composite nanofibers was evaluated against the two most common wound-causing pathogens, Staphylococcus aureus and Pseudomonas aeruginosa. The cotton fabric coated with 0.1% Ag NP-embedded WK/PVA nanofibers showed very good antibacterial activity against both pathogens, and 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay results showed good cytocompatibility against L-929 mouse fibroblast cells. However, the increase in Ag NP content in the nanofibers to 0.2% negatively affected the cell viability due to the high release rate of Ag ions. The results achieved show that the developed wound dressing has good potential for wound healing applications.

Bias correction of OMI HCHO columns based on FTIR and aircraft measurements and impact on top-down emission estimates

Abstract. Spaceborne formaldehyde (HCHO) measurements constitute an excellent proxy for the sources of non-methane volatile organic compounds (NMVOCs). Past studies suggested substantial overestimations of NMVOC emissions in state-of-the-art inventories over major source regions. Here, the QA4ECV (Quality Assurance for Essential Climate Variables) retrieval of HCHO columns from OMI (Ozone Monitoring Instrument) is evaluated against (1) FTIR (Fourier-transform infrared) column observations at 26 stations worldwide and (2) aircraft in situ HCHO concentration measurements from campaigns conducted over the USA during 2012–2013. Both validation exercises show that OMI underestimates high columns and overestimates low columns. The linear regression of OMI and aircraft-based columns gives ΩOMI=0.651Ωairc+2.95×1015 molec.cm-2, with ΩOMI and Ωairc the OMI and aircraft-derived vertical columns, whereas the regression of OMI and FTIR data gives ΩOMI=0.659ΩFTIR+2.02×1015 molec.cm-2. Inverse modelling of NMVOC emissions with a global model based on OMI columns corrected for biases based on those relationships leads to much-improved agreement against FTIR data and HCHO concentrations from 11 aircraft campaigns. The optimized global isoprene emissions (∼445Tgyr-1) are 25 % higher than those obtained without bias correction. The optimized isoprene emissions bear both striking similarities and differences with recently published emissions based on spaceborne isoprene columns from the CrIS (Cross-track Infrared Sounder) sensor. Although the interannual variability of OMI HCHO columns is well understood over regions where biogenic emissions are dominant, and the HCHO trends over China and India clearly reflect anthropogenic emission changes, the observed HCHO decline over the southeastern USA remains imperfectly elucidated.

Effects of biomass burning on CO, HCN, C2H6, C2H2 and H2CO during long-term FTIR measurements in Hefei, China

High-resolution solar absorption spectra were continuously collected by a ground-based Fourier transform infrared (FTIR) spectrometer to retrieve the total column of carbon monoxide (CO), hydrogen cyanide (HCN), ethane (C2H6), acetylene (C2H2), and formaldehyde (H2CO). The time series and variation characteristics of these gases were analyzed. The biomass combustion process is identified by using the correlations between the monthly mean deviations of HCN, C2H6, C2H2 and H2CO versus CO and satellite fire point data. The months with high correlation coefficients (R > 0.8) and peaks of fire point number are considered to be with biomass combustion occurrence. The emissions of HCN, C2H6, C2H2 and H2CO in Anhui were estimated using the enhancement ratios of gases to CO in these months when biomass combustion was the main driving factor of gas concentration change. The study proved the ability of FTIR system in inferring the period during biomass combustion and estimating emissions of the trace gases concerning biomass combustion.