Accuracy of detection of carboxyhemoglobin and methemoglobin in human and bovine blood with an inexpensive, pocket-size infrared scanner.

Detecting life-threatening common dyshemoglobins such as carboxyhemoglobin (COHb, resulting from carbon monoxide poisoning) or methemoglobin (MetHb, caused by exposure to nitrates) typically requires a laboratory CO-oximeter. Because of cost, these spectrophotometer-based instrument are often inaccessible in resource-poor settings. The aim of this study was to determine if an inexpensive pocket infrared spectrometer and smartphone (SCiO®Pocket Molecular Sensor, Consumer Physics Ltd., Israel) accurately detects COHb and MetHb in single drops of blood. COHb was created by adding carbon monoxide gas to syringes of heparinized blood human or cow blood. In separate syringes, MetHb was produced by addition of sodium nitrite solution. After incubation and mixing, fractional concentrations of COHb or MetHb were measured using a Radiometer ABL-90 Flex® CO-oximeter. Fifty microliters of the sample were then placed on a microscope slide, a cover slip applied and scanned with the SCiO spectrometer. The spectrograms were used to create simple linear models predicting [COHb] or [MetHb] based on spectrogram maxima, minima and isobestic wavelengths. Our model predicted clinically significant carbon monoxide poisoning (COHb ≥15%) with a sensitivity of 93% and specificity of 88% (regression r2 = 0.63, slope P<0.0001), with a mean bias of 0.11% and an RMS error of 21%. Methemoglobinemia severe enough to cause symptoms (>20% MetHb) was detected with a sensitivity of 100% and specificity of 71% (regression r2 = 0.92, slope P<0.001) mean bias 2.7% and RMS error 21%. Although not as precise as a laboratory CO-oximeter, an inexpensive pocket-sized infrared scanner/smartphone detects >15% COHb or >20% MetHb on a single drop of blood with enough accuracy to be useful as an initial clinical screening. The SCiO and similar relatively low cost spectrometers could be developed as inexpensive diagnostic tools for developing countries.

Infrared spectroscopy: a potential tool in huanglongbing and citrus variegated chlorosis diagnosis.

Huanglongbing (HLB) and citrus variegated chlorosis (CVC) are serious threats to citrus production and have caused considerable economic losses worldwide, especially in Brazil, which is one of the biggest citrus producers in the world. Neither disease has a cure nor an efficient means of control. They are also generally confused with each other in the field since they share similar initial symptoms, e.g., yellowing blotchy leaves. The most efficient tool for detecting these diseases is by polymerase chain reaction (PCR). However, PCR is expensive, is not high throughput, and is subject to cross reaction and contamination. In this report, a diagnostic method is proposed for detecting HLB and CVC diseases in leaves of sweet orange trees using attenuated total reflectance Fourier transform infrared spectroscopy and the induced classifier via partial least-squares regression. Four different leaf types were considered: healthy, CVC-symptomatic, HLB-symptomatic, and HLB-asymptomatic. The results show a success rate of 93.8% in correctly identifying these different leaf types. In order to understand which compounds are responsible for the spectral differences between the leaf types, samples of carbohydrates starch, sucrose, and glucose, flavonoids hesperidin and naringin, and coumarin umbelliferone were also analyzed. The concentration of these compounds in leaves may vary due to biotic stresses.

Photoacoustic infrared spectroscopy for conducting gas tracer tests and measuring water saturations in landfills.

Gas tracer tests can be used to determine gas flow patterns within landfills, quantify volatile contaminant residence time, and measure water within refuse. While gas chromatography (GC) has been traditionally used to analyze gas tracers in refuse, photoacoustic spectroscopy (PAS) might allow real-time measurements with reduced personnel costs and greater mobility and ease of use. Laboratory and field experiments were conducted to evaluate the efficacy of PAS for conducting gas tracer tests in landfills. Two tracer gases, difluoromethane (DFM) and sulfur hexafluoride (SF(6)), were measured with a commercial PAS instrument. Relative measurement errors were invariant with tracer concentration but influenced by background gas: errors were 1-3% in landfill gas but 4-5% in air. Two partitioning gas tracer tests were conducted in an aerobic landfill, and limits of detection (LODs) were 3-4 times larger for DFM with PAS versus GC due to temporal changes in background signals. While higher LODs can be compensated by injecting larger tracer mass, changes in background signals increased the uncertainty in measured water saturations by up to 25% over comparable GC methods. PAS has distinct advantages over GC with respect to personnel costs and ease of use, although for field applications GC analyses of select samples are recommended to quantify instrument interferences.

Rapid characterization of glycosaminoglycans using a combined approach by infrared and Raman microspectroscopies.

This study describes a complementary infrared (IR) and Raman spectroscopic investigations of a set of biomolecule representatives of glycosaminoglycans (GAGs) class. Both IR and Raman data exhibit characteristic spectral signatures that allow a direct molecular distinction of these compounds. Comparison of these molecular signatures clearly evidences the differences between heparan sulfate and heparin by computing the intensity ratio between the 1248 cm(-1) and 1043 cm(-1) peaks, corresponding respectively to sulfate and C-O-C linkages. Identically, chondroitin-4-sulfate and chondroitin-6-sulfate are differentiated via the 730 cm(-1) and 853 cm(-1) bands (axial orientation) and the 822 cm(-1) and 1000 cm(-1) bands (equatorial orientation). These orientations concern the sulfate groups of these molecules. Secondly, multivariate statistical methods were employed to analyze the data set. Hierarchical cluster analysis (HCA) of both IR and Raman spectra showed a very good differentiation between the different structures. In addition, the sulfatation degree could be obtained from this classification. Principal component analysis using three principal components (PCs) confirmed the findings of HCA and, furthermore, comparisons of the PC loadings highlight the main molecular differences between the members of this class of biological molecules. It is expected that these microspectroscopic methods will be useful in identifying GAG spectral signatures in complex biological systems.

Thinner, smaller, faster: IR techniques to probe the functionality of biological and biomimetic systems.

New techniques in vibrational spectroscopy are promising for the study of biological samples as they provide exquisite spatial and/or temporal resolution with the benefit of minimal perturbation of the system during observation. In this Minireview we showcase the power of modern infrared techniques when applied to biological and biomimetic systems. Examples will be presented on how conformational changes in peptides can be traced with femtosecond resolution and nanometer sensitivity by 2D IR spectroscopy, and how surface-enhanced infrared difference absorption spectroscopy can be used to monitor the effect of the membrane potential on a single proton-transfer step in an integral membrane protein. Vibrational spectra of monolayers of molecules at basically any interface can be recorded with sum-frequency generation, which is strictly surface-sensitive. Chemical images are recorded by applying scanning near-field infrared microscopy at lateral resolutions better than 50 nm.

Comparative study of various normal mode analysis techniques based on partial Hessians.

Standard normal mode analysis becomes problematic for complex molecular systems, as a result of both the high computational cost and the excessive amount of information when the full Hessian matrix is used. Several partial Hessian methods have been proposed in the literature, yielding approximate normal modes. These methods aim at reducing the computational load and/or calculating only the relevant normal modes of interest in a specific application. Each method has its own (dis)advantages and application field but guidelines for the most suitable choice are lacking. We have investigated several partial Hessian methods, including the Partial Hessian Vibrational Analysis (PHVA), the Mobile Block Hessian (MBH), and the Vibrational Subsystem Analysis (VSA). In this article, we focus on the benefits and drawbacks of these methods, in terms of the reproduction of localized modes, collective modes, and the performance in partially optimized structures. We find that the PHVA is suitable for describing localized modes, that the MBH not only reproduces localized and global modes but also serves as an analysis tool of the spectrum, and that the VSA is mostly useful for the reproduction of the low frequency spectrum. These guidelines are illustrated with the reproduction of the localized amine-stretch, the spectrum of quinine and a bis-cinchona derivative, and the low frequency modes of the LAO binding protein.

A broadband continuous-wave multichannel near-infrared system for measuring regional cerebral blood flow and oxygen consumption in newborn piglets.

Near-infrared spectroscopy (NIRS) is a promising technique for assessing brain function in newborns, particularly due to its portability and sensitivity to cerebral hemodynamics and oxygenation. Methods for measuring cerebral blood flow (CBF) and cerebral metabolic rate of oxygen (CMRO(2)) have been developed based on broadband continuous-wave NIRS. However, broadband NIRS apparatus typically have only one detection channel, which limits their applicability to measuring regional CBF and CMRO(2). In this study, a relatively simple multiplexing approach based on electronically controlled mechanical shutters is proposed to expand the detection capabilities from one to eight channels. The tradeoff is an increase in the sampling interval; however, this has negligible effects on CBF measurements for intervals less than or equal to 1 s. The ability of the system to detect focal brain injury was demonstrated in piglets by injecting endothelin-1 (ET-1) into the cerebral cortex. For validation, CBF was independently measured by computed tomography (CT) perfusion. The average reduction in CBF from the source-detector pair that interrogated the injured region was 51%+/-9%, which was in good agreement with the CBF reduction measured by CT perfusion (55%+/-5%). No significant changes in regional CMRO(2) were observed. The average regional differential pathlength prior to ET-1 injection was 8.4+/-0.2 cm (range of 7.1-9.6 cm) and did not significantly change after the injury.

High-throughput spectroscopic imaging applied to permeation through the skin.

Infrared (IR) spectroscopy has been successfully applied to study the permeation of substances through human skin in a high-throughput manner. The sample of skin was placed on the measuring surface of an attenuated total reflection (ATR) crystal and was divided into several areas. These areas were separated using a specially designed grid created on the surface of the skin and each area was subjected to a different combination of permeant and enhancer. ATR Fourier transform infrared (FT-IR) imaging was applied to measure the permeation of 12 liquid samples through a piece of skin smaller than 5 cm(2). This work demonstrated that, using the ATR-FT-IR imaging method, it is possible to measure and directly compare the transdermal processes of several permeants under identical conditions.

Modified local straight-line screening to detect synthetic drugs in adulterated herbal medicines.

A local straight-line screening (LSLS) algorithm was recently designed as a method to detect synthetic drug(s) in adulterated herbal medicines based on infrared spectroscopy. Some modifications are made in this paper to improve the existing LSLS algorithm, including interpolation, second derivation, and change of calculation regions from 3 to 7 data points. These modifications have decreased the effect of unpredicted noises and baseline shift on infrared spectroscopy, resulting in outstanding detailed spectral characteristics of the suspected synthetic drugs. The algorithm has been tested using five kinds of synthetic drugs (sibutramine, fenfluramine, lovastatin, sildenafil, and methyldopa) in 40 herbal medicine samples. The concentration of the synthetic drug(s) predicted by the modified LSLS algorithm is closer to those determined by high-performance liquid chromatography. Consequently, the correct results rise from 30 obtained using the original LSLS to 36 obtained using the modified LSLS in 40 samples, the false negative responses drop from 5 to 1, and the false positive responses drop from 5 to 3. The results obtained using the M-LSLS algorithm based on the sibutramine spectrum collected at different times and on different instruments also vary within acceptable ranges. These allow the method to be more appropriate for the preliminary screening of herbal medicines suspected of adulteration with synthetic drugs, with high rapidity, accuracy, and cost effectiveness.

Parallel spectroscopic method for examining dynamic phenomena on the millisecond time scale.

An infrared spectroscopic technique based on planar array infrared (PAIR) spectroscopy has been developed that allows the acquisition of spectra from multiple samples simultaneously. Using this technique, it is possible to acquire spectra over a spectral range of 950-1900 cm(-1) with a temporal resolution of 2.2 ms. The performance of this system was demonstrated by determining the shear-induced orientational response of several low molecular weight liquid crystals. Five different liquid crystals were examined in combination with five different alignment layers, and both primary and secondary screens were demonstrated. Implementation of this high-throughput PAIR technique resulted in a reduction in acquisition time as compared to both step-scan and ultra-rapid-scanning FTIR spectroscopy.

Prognostic imaging in neoadjuvant chemotherapy of locally-advanced breast cancer should be cost-effective.

INTRODUCTION: The use of neoadjuvant chemotherapy in cases of locally advanced breast cancer has been steadily increasing, and is also in wider use for other cancers. As a consequence, a growing number of studies have focused on the question of how best to assess the therapeutic response to various chemotherapy or systemic therapy regimens. Prognostic imaging of response to therapy early in the course of a planned chemotherapy regimen could be of considerable value, particularly if shifting to another therapy regimen would be more effective. METHODS: A cost effectiveness analysis was completed, specific to imaging of neoadjuvant chemotherapy response in breast cancer, to determine the dominant parameters that would make imaging systems cost effective. The cost analysis was completed with respect to a system for near infrared spectral imaging, but the costs are not dramatically different for other systems such as PET or MRI. Using a standard metric of $25,000 per discounted life year gained as a measure of a successful system. RESULTS: It is shown that system specificity and patient average life expectancy are not dominant factors. Increases in cure rate and the efficacy of the initial chemotherapy are dominant factors. As long as the initial chemotherapy was less than 90% effective, most imaging systems would be cost effective, and if the cure rate of the disease could be increased as little as 1% through a change to alternate therapy, then the cost effectiveness of the system would be acceptable. CONCLUSIONS: Based upon this simple economic analysis, diagnostic imaging of neoadjuvant chemotherapy appears warranted, assuming that it can be shown that the early shift from ineffective neoadjuvant chemotherapy to a more effective one has a measurable benefit in cure rate. This study indicates that the most important issue is to assess the added benefit of individualized chemotherapy in patient management, and clinical trials in this area would then provide the data required to justify analysis of prognostic imaging procedures.

[Research on infrared safety protection system for machine tool].

In order to ensure personal safety and prevent injury accident in machine tool operation, an infrared machine tool safety system was designed with infrared transmitting-receiving module, memory self-locked relay and voice recording-playing module. When the operator does not enter the danger area, the system has no response. Once the operator's whole or part of body enters the danger area and shades the infrared beam, the system will alarm and output an control signal to the machine tool executive element, and at the same time, the system makes the machine tool emergency stop to prevent equipment damaged and person injured. The system has a module framework, and has many advantages including safety, reliability, common use, circuit simplicity, maintenance convenience, low power consumption, low costs, working stability, easy debugging, vibration resistance and interference resistance. It is suitable for being installed and used in different machine tools such as punch machine, pour plastic machine, digital control machine, armor plate cutting machine, pipe bending machine, oil pressure machine etc.

[Application of reflection infrared sensor to intelligent water-saving system].

Utilizing reflection type infrared sensor and small electronic devices (monostable multivibrator), the authors have developed the intelligent water-saving control system. This system can discern whether someone enters the lavatory, produce the signal of washing according to the cirumstances, drives the electromagnetic valve to open, and pour water into the floater type cistern. After filling two cisterns of water enough for cleaning, it'll cut off the power in the electromagnetic valve automatically. This system has achieved the sanitary and economical purpose, using this system can economize water by about 70%. This system features few components, low costs, rational structure, reliable work, easy installation, and convenient maintenance, so it has a wide application prospect.

The role of technology in the past and future development of the doubly labelled water method.

The doubly labelled water method is an isotope-based technique that is used to measure the energy demands of free-living animals and humans. It is based on the observation that, in the body, the oxygen in carbon dioxide is in complete isotope exchange equilibrium with the oxygen in body water. Hence, a label of isotopic oxygen in body water is eliminated by both respiratory CO(2) and water turnover, whereas a similarly introduced label of deuterium is eliminated only by water flux. The difference in isotope fluxes therefore permits estimation of CO(2) production, which is correlated to energy demands. The doubly labelled water method has been advanced predominantly by technological advances in mass spectrometry. Although it was first described in the 1950s, it was only used on small animals and in low numbers because the costs of the isotopes were a primary constraint. However, advances in mass spectrometry precision and accuracy in the 1980s made it possible to reduce the quantities of isotope used, and hence apply the method on humans, although still in small numbers. The advent of continuous flow inlets in the 1990s made possible the processing of samples in much larger numbers and the sample sizes of studies have expanded. Ironically, however, the technique is now under treat because of technological advances in another area (positron emission tomography), which has generated an enormous demand for (18)O and pushed up the price of isotopes. A continuation of this trend might drive prices to levels where sustained application of the method in human studies is questionable. Replacing determination of isotope enrichments currently performed by isotope ratio mass spectrometry with determinations made by stable isotope infrared laser spectrometry may be a technological advance that will get us out of this problem.

Clinically feasible stable isotope technique at a reasonable price: analysis of 13CO2/12CO2-abundance in breath samples with a new isotope selective-nondispersive infrared spectrometer.

Up to now, stable isotope analysis of carbon dioxide in breath samples is carried out with sensitive but very expensive and complex isotope ratio mass spectrometry (IRMS). Aiming at a more widespread application of breath tests in gastroenterological diagnostic routine, we tested a newly developed isotope selective non-dispersive infrared spectrometer (NDIRS) in comparison to IRMS. 13C-urea breath tests were performed in 63 patients as the routine screening method for Helicobacter pylori infection. Breath samples at baseline and (15) 30 min after administration of the test solution containing 13C-urea were analysed both by NDIRS and conventional IRMS. The correlation between the delta values of both devices was linear and in good agreement (r = 0.96; p < 0.0001; Y = 1.01 X -0.94). Comparing the delta over baseline-values, the correlation was Y = 1.11 X -0.36 (r = 0.98; p < 0.0001). Referring to the diagnosis of Helicobacter pylori infection with IRMS we calculated a sensitivity of 95.0% and an unchanged specificity (100%) for NDIR analysis. In conclusion, NDIRS appears a promising, easy to operate, and low cost potential alternative to conventional IRMS thus encouraging further detailed investigation and more widespread application of the noninvasive stable isotope technique in breath tests for gastrointestinal function testing.