Quantum Advantage in a Molecular Spintronic Engine that Harvests Thermal Fluctuation Energy.

Recent theory and experiments have showcased how to harness quantum mechanics to assemble heat/information engines with efficiencies that surpass the classical Carnot limit. So far, this has required atomic engines that are driven by cumbersome external electromagnetic sources. Here, using molecular spintronics, an implementation that is both electronic and autonomous is proposed. The spintronic quantum engine heuristically deploys several known quantum assets by having a chain of spin qubits formed by the paramagnetic Co center of phthalocyanine (Pc) molecules electronically interact with electron-spin-selecting Fe/C60 interfaces. Density functional calculations reveal that transport fluctuations across the interface can stabilize spin coherence on the Co paramagnetic centers, which host spin flip processes. Across vertical molecular nanodevices, enduring dc current generation, output power above room temperature, two quantum thermodynamical signatures of the engine's processes, and a record 89% spin polarization of current across the Fe/C60 interface are measured. It is crucially this electron spin selection that forces, through demonic feedback and control, charge current to flow against the built-in potential barrier. Further research into spintronic quantum engines, insight into the quantum information processes within spintronic technologies, and retooling the spintronic-based information technology chain, can help accelerate the transition to clean energy.

Spectra Fusion of Mid-Infrared (MIR) and X-ray Fluorescence (XRF) Spectroscopy for Estimation of Selected Soil Fertility Attributes.

Previous works indicate that data fusion, compared to single data modelling can improve the assessment of soil attributes using spectroscopy. In this work, two different kinds of proximal soil sensing techniques i.e., mid-infrared (MIR) and X-ray fluorescence (XRF) spectroscopy were evaluated, for assessment of seven fertility attributes. These soil attributes include pH, organic carbon (OC), phosphorous (P), potassium (K), magnesium (Mg), calcium (Ca) and moisture contents (MC). Three kinds of spectra fusion (SF) (spectra concatenation) approaches of MIR and XRF spectra were compared, namely, spectra fusion-Partial least square (SF-PLS), spectra fusion-Sequential Orthogonalized Partial least square (SF-SOPLS) and spectra fusion-Variable Importance Projection-Sequential Orthogonalized Partial least square (SF-VIP-SOPLS). Furthermore, the performance of SF models was compared with the developed single sensor model (based on individual spectra of MIR and XRF). Compared with the results obtained from single sensor model, SF models showed improvement in the prediction performance for all studied attributes, except for OC, Mg, and K prediction. More specifically, the highest improvement was observed with SF-SOPLS model for pH [R2p = 0.90, root mean square error prediction (RMSEP) = 0.15, residual prediction deviation (RPD) = 3.30, and ratio of performance inter-quantile (RPIQ) = 3.59], successively followed by P (R2p = 0.91, RMSEP = 4.45 mg/100 g, RPD = 3.53, and RPIQ = 4.90), Ca (R2p = 0.92, RMSEP = 177.11 mg/100 g, RPD = 3.66, and RPIQ = 3.22) and MC (R2p = 0.80, RMSEP = 1.91%, RPD = 2.31, RPIQ = 2.62). Overall the study concluded that SF approach with SOPLS attained better performance over the traditional model developed with the single sensor spectra, hence, SF is recommended as the best SF method for improving the prediction accuracy of studied soil attributes. Moreover, the multi-sensor spectra fusion approach is not limited for only MIR and XRF data but in general can be extended for complementary information fusion in order to improve the model performance in precision agriculture (PA) applications.

Improvement in Purity of Healthy Tomato Seeds Using an Image-Based One-Class Classification Method.

The feasibility of a color machine vision technique with the one-class classification method was investigated for the quality assessment of tomato seeds. The health of seeds is an important quality factor that affects their germination rate, which may be affected by seed contamination. Hence, segregation of healthy seeds from diseased and infected seeds, along with foreign materials and broken seeds, is important to improve the final yield. In this study, a custom-built machine vision system containing a color camera with a white light emitting diode (LED) light source was adopted for image acquisition. The one-class classification method was used to identify healthy seeds after extracting the features of the samples. A significant difference was observed between the features of healthy and infected seeds, and foreign materials, implying a certain threshold. The results indicated that tomato seeds can be classified with an accuracy exceeding 97%. The infected tomato seeds indicated a lower germination rate (<10%) compared to healthy seeds, as confirmed by the organic growing media germination test. Thus, identification through image analysis and rapid measurement were observed as useful in discriminating between the quality of tomato seeds in real time.

Near-Infrared Transmittance Spectral Imaging for Nondestructive Measurement of Internal Disorder in Korean Ginseng.

The grading of ginseng (Panax ginseng) including the evaluation of internal quality attributes is essential in the ginseng industry for quality control. Assessment for inner whitening, a major internal disorder, must be conducted when identifying high quality ginseng. Conventional methods for detecting inner whitening in ginseng root samples use manual inspection, which is time-consuming and inaccurate. This study develops an internal quality measurement technique using near-infrared transmittance spectral imaging to evaluate inner whitening in ginseng samples. Principle component analysis (PCA) was used on ginseng hypercube data to evaluate the developed technique. The transmittance spectra and spectral images of ginseng samples exhibiting inner whitening showed weak intensity characteristics compared to normal ginseng in the region of 900-1050 nm and 1150-1400 nm respectively, owing to the presence of whitish internal tissues that have higher optical density. On the basis of the multivariate analysis method, even a simple waveband ratio image has the great potential to quickly detect inner whitening in ginseng samples, since these ratio images show a significant difference between whitened and non-whitened regions. Therefore, it is possible to develop an efficient and rapid spectral imaging system for the real-time detection of inner whitening in ginseng using minimal spectral wavebands. This novel strategy for the rapid, cost-effective, non-destructive detection of ginseng's inner quality can be a key component for the automation of ginseng grading.

Rapid Measurement of Soybean Seed Viability Using Kernel-Based Multispectral Image Analysis.

Viability is an important quality factor influencing seed germination and crop yield. Current seed-viability testing methods rely on conventional manual inspections, which use destructive, labor-intensive and time-consuming measurements. The aim of this study is to distinguish between viable and nonviable soybean seeds, using a near-infrared (NIR) hyperspectral imaging (HSI) technique in a rapid and nondestructive manner. The data extracted from the NIR⁻HSI of viable and nonviable soybean seeds were analyzed using a partial least-squares discrimination analysis (PLS-DA) technique for classifying the viable and nonviable soybean seeds. Variable importance in projection (VIP) was used as a waveband selection method to develop a multispectral imaging model. Initially, the spectral profile of each pixel in the soybean seed images was subjected to PLS-DA analysis, which yielded a reasonable classification accuracy; however, the pixel-based classification method was not successful for high accuracy detection for nonviable seeds. Another viability detection method was then investigated: a kernel image threshold method with an optimum-detection-rate strategy. The kernel-based classification of seeds showed over 95% accuracy even when using only seven optimal wavebands selected through VIP. The results show that the proposed multispectral NIR imaging method is an effective and accurate nondestructive technique for the discrimination of soybean seed viability.

Linking Electronic Transport through a Spin Crossover Thin Film to the Molecular Spin State Using X-ray Absorption Spectroscopy Operando Techniques.

One promising route toward encoding information is to utilize the two stable electronic states of a spin crossover molecule. Although this property is clearly manifested in transport across single molecule junctions, evidence linking charge transport across a solid-state device to the molecular film's spin state has thus far remained indirect. To establish this link, we deploy materials-centric and device-centric operando experiments involving X-ray absorption spectroscopy. We find a correlation between the temperature dependencies of the junction resistance and the Fe spin state within the device's [Fe(H2B(pz)2)2(NH2-phen)] molecular film. We also factually observe that the Fe molecular site mediates charge transport. Our dual operando studies reveal that transport involves a subset of molecules within an electronically heterogeneous spin crossover film. Our work confers an insight that substantially improves the state-of-the-art regarding spin crossover-based devices, thanks to a methodology that can benefit device studies of other next-generation molecular compounds.

Calibration and testing of a Raman hyperspectral imaging system to reveal powdered food adulteration.

The potential adulteration of foodstuffs has led to increasing concern regarding food safety and security, in particular for powdered food products where cheap ground materials or hazardous chemicals can be added to increase the quantity of powder or to obtain the desired aesthetic quality. Due to the resulting potential health threat to consumers, the development of a fast, label-free, and non-invasive technique for the detection of adulteration over a wide range of food products is necessary. We therefore report the development of a rapid Raman hyperspectral imaging technique for the detection of food adulteration and for authenticity analysis. The Raman hyperspectral imaging system comprises of a custom designed laser illumination system, sensing module, and a software interface. Laser illumination system generates a 785 nm laser line of high power, and the Gaussian like intensity distribution of laser beam is shaped by incorporating an engineered diffuser. The sensing module utilize Rayleigh filters, imaging spectrometer, and detector for collection of the Raman scattering signals along the laser line. A custom-built software to acquire Raman hyperspectral images which also facilitate the real time visualization of Raman chemical images of scanned samples. The developed system was employed for the simultaneous detection of Sudan dye and Congo red dye adulteration in paprika powder, and benzoyl peroxide and alloxan monohydrate adulteration in wheat flour at six different concentrations (w/w) from 0.05 to 1%. The collected Raman imaging data of the adulterated samples were analyzed to visualize and detect the adulterant concentrations by generating a binary image for each individual adulterant material. The results obtained based on the Raman chemical images of adulterants showed a strong correlation (R>0.98) between added and pixel based calculated concentration of adulterant materials. This developed Raman imaging system thus, can be considered as a powerful analytical technique for the quality and authenticity analysis of food products.

Quantitative analysis of Sudan dye adulteration in paprika powder using FTIR spectroscopy.

As adulteration of foodstuffs with Sudan dye, especially paprika- and chilli-containing products, has been reported with some frequency, this issue has become one focal point for addressing food safety. FTIR spectroscopy has been used extensively as an analytical method for quality control and safety determination for food products. Thus, the use of FTIR spectroscopy for rapid determination of Sudan dye in paprika powder was investigated in this study. A net analyte signal (NAS)-based methodology, named HLA/GO (hybrid linear analysis in the literature), was applied to FTIR spectral data to predict Sudan dye concentration. The calibration and validation sets were designed to evaluate the performance of the multivariate method. The obtained results had a high determination coefficient (R2) of 0.98 and low root mean square error (RMSE) of 0.026% for the calibration set, and an R2 of 0.97 and RMSE of 0.05% for the validation set. The model was further validated using a second validation set and through the figures of merit, such as sensitivity, selectivity, and limits of detection and quantification. The proposed technique of FTIR combined with HLA/GO is rapid, simple and low cost, making this approach advantageous when compared with the main alternative methods based on liquid chromatography (LC) techniques.

In-Process Control Assay of Pharmaceutical Microtablets Using Hyperspectral Imaging Coupled with Multivariate Analysis.

Monitoring the amount of active pharmaceutical ingredient (API) in finished dosage form is important to ensure the content uniformity of the product. In this report, we summarize the development and validation of a hyperspectral imaging (HSI) technique for rapid in-line prediction of the active pharmaceutical ingredient (API) in microtablets with concentrations varying from 60 to 130% API (w/w). The tablet spectra of different API concentrations were collected in-line using an HSI system within the visible/near-infrared (vis/NIR; 400-1000 nm) and short-wave infrared (SWIR; 1100-2500 nm) regions. The ability of the HSI technique to predict the API concentration in the tablet samples was validated against a reference high-performance liquid chromatography (HPLC) method. The prediction efficiency of two different types of multivariate data modeling methods, that is, partial least-squares regression (PLSR) and principle component regression (PCR), were compared. The prediction ability of the regression models was cross-validated against results generated with the reference HPLC method. The results obtained from the PLSR models showed reliable performance for predicting the API concentration in SWIR region. The highest coefficient of determination (R2p) was 0.96, associated with the lowest predicted error and bias of 4.45 and -0.35%, respectively. Furthermore, the concentration-mapped images of PLSR and PCR models were used to visually characterize the API concentration present on the tablet surface. Based on these results, we suggest that HSI measurement combined with multivariate data analysis and chemical imaging could be implemented in the production environment for rapid in-line determination of pharmaceutical product quality.

Hyperspectral reflectance imaging technique for visualization of moisture distribution in cooked chicken breast.

Spectroscopy has proven to be an efficient tool for measuring the properties of meat. In this article, hyperspectral imaging (HSI) techniques are used to determine the moisture content in cooked chicken breast over the VIS/NIR (400-1,000 nm) spectral range. Moisture measurements were performed using an oven drying method. A partial least squares regression (PLSR) model was developed to extract a relationship between the HSI spectra and the moisture content. In the full wavelength range, the PLSR model possessed a maximum  of 0.90 and an SEP of 0.74%. For the NIR range, the PLSR model yielded an  of 0.94 and an SEP of 0.71%. The majority of the absorption peaks occurred around 760 and 970 nm, representing the water content in the samples. Finally, PLSR images were constructed to visualize the dehydration and water distribution within different sample regions. The high correlation coefficient and low prediction error from the PLSR analysis validates that HSI is an effective tool for visualizing the chemical properties of meat.