Reflectance Index Research Articles

Computational Investigation of Structural, Electronic and Optical Properties of Ternary Chalcogenide TLGaQ2 Monoclinic Compounds: a First Principle Study

Purpose: This paper aim to investigate and predict by simulation the impact of the substitution of Q-site atom (Q꞊S, Se) on the TIGaQ2 monoclinic compounds for the first time, along the three main polarizations of the incident wave directions [100], [010] and [001]. Theoretical Framework: This study focuses mainly on ternary chalcogenide compounds TlGaQ2 (Q= S, Se) from ABQ2 family to highlight the objective resources aimed at promising prospects offered for them. Design/Methodology/Approach: A series of ab-initio calculations based on the (PW+PP) method within the density functional theory DFT framework were carried out with CASTEP code for the simulation of their physical properties (structural, electronic-optical). The exchange correlation potential was treated within the generalized gradient approximation (GGA) implemented in the CASTEP code and expressed by the PBE functional. Findings: The equilibrium lattice parameters are in good agreement with the available experimental results. The calculated band structure shows that are direct bandgap semiconductor nature 1.92eV (1.41eV) for TlGaS2 and TlGaSe2 respectively with a great potential for photovoltaic solar cell absorber materials. A set of optical parameters were calculated including the complex dielectric function, the reflective index, reflectivity, the absorption coefficient and loss function. The optical properties obtained revealed very interesting optical properties exhibiting strong optical absorption in UV range up to (~2x105cm-1) for both compounds making them appropriate for photovoltaic solar-cell absorber materials. Furthermore, low reflectivity and energy loss function are shown within in the visible and ultraviolet energy range, allowing them to be promising materials in several optoelectronics applications likes photosensitive devices. Implications: All these findings results show a successful accurately prediction for chalcogenide materials behavior and will be helpful for future studies allowing a better understanding of their potential applications in modern photovoltaic technologies as well as within UV ranges for optoelectronics applications.

Improving Soybean Gross Primary Productivity Modeling Using Solar-Induced Chlorophyll Fluorescence and the Photochemical Reflectance Index by Accounting for the Clearness Index

Solar-induced chlorophyll fluorescence (SIF) has been widely utilized to track the dynamics of gross primary productivity (GPP). It has been shown that the photochemical reflectance index (PRI), which may be utilized as an indicator of non-photochemical quenching (NPQ), improves SIF-based GPP estimation. However, the influence of weather conditions on GPP estimation using SIF and PRI has not been well explored. In this study, using an open-access dataset, we examined the impact of the clearness index (CI), which is associated with the proportional intensity of solar incident radiation and can represent weather conditions, on soybean GPP estimation using SIF and PRI. The midday PRI (xanthophyll de-epoxidation state) minus the early morning PRI (xanthophyll epoxidation state) yielded the corrected PRI (ΔPRI), which described the amplitude of xanthophyll pigment interconversion during the day. The observed canopy SIF at 760 nm (SIFTOC_760) was downscaled to the broadband photosystem-level SIF for photosystem II (SIFTOT_FULL_PSII). Our results show that GPP can be accurately estimated using a multi-linear model with SIFTOT_FULL_PSII and ΔPRI. The ratio of GPP measured using the eddy covariance (EC) method (GPPEC) to GPP estimated using SIFTOT_FULL_PSII and ΔPRI exhibited a non-linear correlation with the CI along both the half-hourly (R2 = 0.21) and daily scales (R2 = 0.25). The GPP estimates using SIFTOT_FULL_PSII and ΔPRI were significantly improved by the addition of the CI (for the half-hourly data, R2 improved from 0.64 to 0.71 and the RMSE decreased from 8.28 to 7.42 μmol•m−2•s−1; for the daily data, R2 improved from 0.71 to 0.81 and the RMSE decreased from 6.69 to 5.34 μmol•m−2•s−1). This was confirmed by the validation results. In addition, the GPP estimated using the Random Forest method was also largely improved by considering the influences of the CI. Therefore, our findings demonstrate that GPP can be well estimated using SIFTOT_FULL_PSII and ΔPRI, and it can be significantly enhanced by accounting for the CI. These results will be beneficial to vegetation GPP estimation using different remote sensing platforms, especially under various weather conditions.

Theoretical study of optoelectronic, elastic and mechanical properties of gallium modified barium titanate (Ba1-xGaxTiO3) perovskite ceramics by DFT

In this report, we study the gallium modified Barium titanate (Ga-BTO) Ba1-xGaxTiO3 with (x = 50 %) perovskite ceramics, which have not been synthesized experimentally to date. The density functional theory-based full potential linear augmented plane wave has been employed to determine the optoelectronic, elastic, and mechanical properties of pure and modified BaTiO3. Completely relaxed 2 × 2× 2 of primitive five atoms’ cells has been used for calculations. A large cut-off energy of 120 Ry has been used to eliminate the basics of plane wave-indicating wave functions. The influence of substitution of Ga on electronic structure and optical parameters such as reflectivity, refractivity, dielectric function, optical conductivity, extinction, and absorption coefficients are analyzed and elucidated with TDOS and PDOS. The Ga modified BTO manifests a forbidden energy gap of 1.84 eV. The static dielectric constant Ɛ1(o) has values of 8.8 and 100 for pure and modified compounds respectively. Ga dopant improved the polarizing power of BTO and for the doped BTO imaginary part, Ɛ2(ω)showed a prominent peak located at 3.9 eV. The optical properties show that perovskite compound substituted with Ga is a good absorber in the ultraviolet region and the modified material has a small value of reflectivity and static refractive index 12.2. The general profiles of optical spectra of modified BaTiO3 display highly desirable features like the prominent peaks of optical conductivity obtained at 4.2 and 5.8 eV for modified BTO that make it a promising candidate for optoelectronic and spintronics. Ga-modified BTO has higher ductility, modulus (169.96 GPa), and anisotropy (2.949) than pure BTO found by analyzing their elastic and mechanical properties.

State-of-the-Art Review: Effects of Using Cool Building Cladding Materials on Roofs

Cool roofs are roofing systems designed to reflect significant solar radiation, reducing heat absorption and subsequent cooling energy demands in buildings. This paper provides a comprehensive review of cool roof technologies, covering performance standards, material options, energy-saving potential, and hygrothermal considerations. The review examines provisions in current codes and standards, which specify minimum requirements for solar reflectance, thermal emittance, and solar reflectance index (SRI) values. These criteria often vary based on factors like roof slope, climate zone, and building type. Different cool roof materials are explored, including reflective paints and coatings that can be applied to existing roofs as cost-effective solutions. Several studies have demonstrated the energy performance benefits of cool roofs, showing significant reductions in cooling loads, indoor air temperatures, peak cooling demand, and overall cooling energy consumption compared to traditional roofs. However, hygrothermal performance must be evaluated, especially in cold climates, to optimize insulation levels and avoid moisture accumulation risks, as reduced heat absorption can alter moisture migration patterns within the building envelope. While cool roofs provide substantial energy savings in hot climates, further research is needed to validate modeling approaches against real-world studies, investigate the impact of seasonality and green spaces on cool roof efficacy and urban heat island mitigation, and explore energy-saving potential, moisture control, and condensation risks in cold and humid environments.

Environmental impact of the variations in solar reflectance index values of some selected dimension stones due to cyclic thermal shock

Natural stones are widely used environmentally appropriate building materials as dimension stone both for exterior cladding and floor coverings in urban areas. Depending on their solar reflectivity, these materials may absorb more solar radiation, especially with noontime summer sunlight exposure, which may cause both increasing cooling costs in commercial buildings and overheating of a city with the formation of urban heat islands. Solar reflectance index (SRI) is defined as the ability of a surface to reject solar heat which tends to change with physical, chemical and biological degradation processes by varying solar reflectance (SR) and thermal emissivity (TE) values. Weakening of the stone matrix structure by physical degradation mechanism, such as thermal shock (T-S) cycles mostly have significant impact on SRI. Within the scope of this study, SRI values were calculated before and after cyclic T-S by measuring the optical properties such as SR and TE values of 30 selected sedimentary and metamorphic originated carbonate-based natural stone types. The changes in surface properties such as color, roughness, and gloss, that may have an impact on the SRI values were also analyzed. In addition, a multivariate regression analysis was established to predict SRI value from such properties with a high degree of accuracy. Finally, it was found that, initial SRI values of 9 natural stone types (mostly metamorphic originated) have been increased considerably by cyclic T-S and tend to increase their ability to reduce urban temperatures by higher SRI values, one of the most important selection criteria in energy consumption for natural stones.

A digital volume pulse device-finger photo pulse plethysmography to trace the vascular integrity amongst the low back pain subjects with lumbar disc degenerative diseases diagnosed by MRI analysis.

Finger photo pulse plethysmography is a simple, inexpensive and non-invasive method for measurement of arterial stiffness. The objective is to assess the correlation of arterial stiffness in low back pain subjects with lumbar disc degeneration. Thirty-four back pain patients of both sexes in age group of 30-65 were included. Anthropometric measures like height, body weight, body mass index (BMI) were included. Stiffness index (SI) and reflection index (RI) were measured from the digital volume pulse waveform. There was a negative correlation between SI/RI and no correlation between SI and RI with BMI in both sexes. A significant correlation found between weight and BMI in both sexes. Arterial stiffness may not have any influence on disc degeneration. BMI showed some influence on disc degeneration and back pain.

Effects of vacancy defects on the electronic, mechanical, and optical properties of penta-B2C4

The synthesis of two-dimensional (2D) pentagonal structures has sparked interest in further research on this class of materials. Here, the effects of intrinsic point vacancy defects on the electronic, mechanical, and optical properties of Penta-B2C4 were systematically investigated. The research indicates that three types of point vacancy defects (VB, VC and VBC) cause varying degrees of upward shift in the Fermi level of Penta-B2C4, ultimately leading to its transformation from p-type semiconductor to n-type semiconductor. The VB defect disrupts the mechanical stability of Penta-B2C4 while VC and VBC defects still maintain excellent mechanical properties, exhibiting flexibility even superior to graphene. The three vacancy defects also improve the visible optical absorption properties of Penta-B2C4, but the reflectance and refractive index in the same environment decrease. The research findings provide theoretical support for the application of Penta-B2C4 in flexible devices, mechanical engineering, and optoelectronic devices.

Do Photopletysmographic Parameters of Arterial Stiffness Differ Depending on the Presence of Arterial Hypertension and/or Atherosclerosis?

Hypertension and atherosclerotic cardiovascular diseases (ASCVD) increase cardiovascular risk and worsen patients' prognoses. One early predictor of increased risk is a change in arterial stiffness. This study aimed to evaluate arterial stiffness parameters using the non-invasive photoplethysmography (PPG) method in Polish patients with arterial hypertension (AH) and/or atherosclerosis (AS). The study group consisted of 333 patients (Caucasians, both sexes, aged 30-85 years old). Patients were analyzed in four groups depending on AH and AS (Group I: patients without AH or AS, Group II: AH patients, Group III: AS patients, and Group IV: AH/AS patients) and, in addition, according to sex and history of SARS-CoV-2 infection. Arterial stiffness parameters, i.e., reflection index (RI), peak-to-peak time (PPT), and stiffness index (SI) were automatically calculated with PPG based on the analysis of the pulse wave contour. Mean values of RI and SI were higher in men than women (p < 0.001 each). Diastolic blood pressure (DBP) also differed between sexes (p = 0.010). Mean SI values differed between the study groups (p = 0.038) with the highest SI found in AS/AH patients and the lowest-in patients without AH or AS. The mean SI values were significantly lower in women compared to men in both Group I and Group II (p = 0.006 and p < 0.001, respectively). The mean values of RI were also greater in men than in women in Group I and Group II (p < 0.001 for each group). Regarding COVID-19 history, only HR values differed between patients with and without COVID-19 in AH patients (p = 0.012). In AH patients, men had higher values of RI and SI compared to women (p < 0.001 and p < 0.001). On the other hand, AS women with COVID-19 had significantly greater mean values of SI (9.66 m/s ± 1.61) than men with COVID-19 (7.98 m/s ± 1.09) (p = 0.045). The present study confirmed that sex had a significant impact on arterial stiffness parameters. Both AH and AS affected arterial stiffness. Heart rate was greater in hypertensive patients after COVID-19 compared to hypertensive patients without COVID-19.

Exploring the Cs[formula omitted]LiLuCl[formula omitted] elpasolite scintillator for thermal-neutron detection: A comprehensive DFT and TD-DFT studies

In this study, we investigate the halide perovskite material Cs2LiLuCl6 using both density functional theory (DFT) and time-dependent density functional theory (TD-DFT) approaches. Our analysis focuses on the structural, electronic, and optical properties of the material, conducted with the Quantum Espresso code. In order to confirm the structural stability of the material, we performed various tests including analysis of elastic constants, formation energy, tolerance factor, and phonon dispersion. Employing the generalized gradient approximation (GGA) and GGA+U, we determine that the material behaves as an insulator with a direct band gap of 5.3042 eV and 5.4245 eV, respectively. Additionally, DFT+U calculations were performed to study the dielectric function, reflectivity, absorption coefficient, and refractive index, revealing a high transmittance rate exceeding 90%. Under ideal conditions, the upper light yield (LYsc) is estimated to be 75411 ph/MeV and 73739 ph/MeV for the DFT and DFT+U methods, respectively. These results, along with the presence of lithium in Cs2LiLuCl6, highlight its potential for use in scintillation-based thermal-neutron detection applications.

Aerial Remote Sensing Archaeology—A Short Review and Applications

Aerial and remote sensing archaeology are tools for identifying marks on images of archaeological remains covered by soil. In other words, they are archaeological prospection tools that fall into the category of non-destructive research methods. In this paper, a short review of these valuable research tools is carried out, presenting the way marks appear, and also the categories of aerial and remote sensing archaeology, depending on the medium of storage of images and the type of platform of transfer of sensors. The timing of the emergence of each category is determined and examples of relevant surveys are presented. Focusing on the use of an Unmanned Aircraft System (UAS) with a multispectral sensor (aerial remote sensing archaeology), their partial utilization is revealed for collecting images in areas outside of the visible spectrum, aiming at the identification of covered archaeological remains. To this end, examples of the use of UAS with different sensors are presented and indexes that have been used so far in respective applications are gathered. Aerial remote sensing archaeology took place in two areas of particular interest in Northern Greece. UAS WingtraOne GEN II was used to collect multispectral images. In both study areas, soil and vegetation or crop marks were detected, possibly covered archaeological remains, initially in RGB orthophotomosaics and then more clearly in the index maps, such as the normalized difference vegetation index, simple ratio, brightness index, second brightness index, and anthocyanin reflectance index 2b.

Unveiling the electronic, optical, thermoelectric, and magnetic properties of novel Ba2GdMO6 (M = Pa, Ta) via DFT calculation

The optoelectronic, thermoelectric, and magnetic properties of novel Ba2GdMO6 (M = Pa, Ta) double perovskites have been computed with the spin-polarized density functional investigation. The calculations are performed using the FP-LAPW method in Wein2K code, by employing the GGA + U approximations. The band structures and density of states analysis show that Ba2GdPaO6 is an indirect band gap semiconductor with band gap values of 3.0 eV and 3.1 eV in the up and down spin channels, respectively. The Ba2GdTaO6 is also predicted as a semiconducting material with a direct band gap of 2.9 eV and 3.0 eV in up and down spin channels. The optical characteristics of the materials, such as the dielectric constants, absorption coefficient, reflectivity, loss function, and refractive index are computed. The optical results reflect that the materials are excellent choices for high-energy absorbent. The Seebeck coefficient increases beyond the temperature of 300 K for Ba2GdPaO6 and 400 K for Ba2GdTaO6. The increase in the Seebeck coefficient values suggests that these materials are p-type semiconducting. The ferromagnetic nature of the materials has been confirmed by predicting the ferromagnetic phase to be the most stable state. The total magnetic moments of the materials are found equal to 7 µB.

Monitoring soil moisture content in the root zone of winter wheat with multi-angle multispectral imagery

ABSTRACT Exploring the impact of different monitoring angles from unmanned aerial vehicle (UAV) on the monitoring accuracy of soil moisture content (SMC) is crucial for precision irrigation. To this end, experiment was conducted to monitor the SMC of winter wheat at different growth stages under different irrigation treatments in Yangling, Shaanxi, China. At a solar zenith angle of 45°, multispectral remote sensing data from a UAV were collected at thirteen different monitoring zenith angles. Simultaneously, the SMC in the wheat root zone was measured. From the UAV multispectral images, spectral reflectance was extracted for the construction of vegetation indices. Then the correlation between the vegetation indices and the measured SMC was analyzed. With the vegetation indices as input variables, SMC monitoring models were constructed using Extreme Learning Machine (ELM), Random Forest (RF), and Back Propagation Neural Network (BPNN). The study also examined the effect of specific angles (hotspot and dark spot angles) on the estimation accuracy of the SMC at the nadir angle. The results indicated that different monitoring angles significantly impact the SMC estimation accuracy. Band reflectance and vegetation indices exhibited significant peak values and angular effects at the monitoring zenith angle of 45°. The models achieved the optimal inversion accuracy at the hotspot angle (at a monitoring zenith angle of 45° in the solar principal plane), and the accuracy was ranked as follows: BPNN (R2 = 0.71; RMSE = 1.69) > ELM (R2 = 0.52; RMSE = 1.94) > RF (R2 = 0.48; RMSE = 2.10). By eliminating shadows at the nadir angle through the threshold of dark spot, inversion accuracy similar to the hotspot direction is achieved. This study provides a basis for appropriate selection of UAV flight angles for the monitoring of SMC in the root zone of winter wheat.

An Insight into the Impact of Nano CuCo2O4 Doping on the Optical and Dielectric Performance of PMMA/Carbon Nanoparticles

In the present study, novel functional properties were achieved for polymethyl methacrylate (PMMA) through loading with carbon nanoparticles (CNPs) as well as varying quantities of CuCo2O4 nanoparticles. The blends obtained were subjected to different characterization techniques. Extensive investigations of different optical properties were carried out, covering linear and nonlinear optical properties. After the incorporation of CNPs/CuCo2O4 in the host polymer matrix, the absorbance, reflectance and refractive index exhibited improvements, while continuous reductions in both direct and indirect optical band gap energies were observed. Significant improvements in the linear and nonlinear optical parameters were observed with increasing CuCo2O4 doping levels. Dielectric measurements provided insights into the impact of CuCo2O4 content on the ac conductivity, energy density, dielectric properties, and electric modulus across all blends. The sample doped with 1.5 wt% exhibited the highest dielectric constant. In conclusion, the optical and dielectric properties of the PMMA/CNPs/x wt% CuCo2O4 blends make them promising candidates in optoelectronics and photocatalysis applications.

Multitemporal airborne imaging spectrometry and fluorometry reveal contrasting photoprotective responses of trees

The Photochemical Reflectance Index (PRI) and solar induced fluorescence (SIF) provide information on plant photosynthetic activity. PRI and SIF are both strongly influenced by irradiance, but uncertainties related to the interpretation of these light responses at large spatial scales remain, partly due to a shortage of suitable data from aircraft or satellite platforms. The goal of this study was to explore interpretations of the PRI- and SIF-light responses of trees owing to species, functional types (evergreen and deciduous) and season. Using airborne hyperspectral and ultraspectral imagery in a North American urban forest, we derived PRI, SIF, and albedo (an indicator of illumination) at the 1-m pixel level. We then quantified crown-level PRI and SIF light responses of ten different tree species at three time points from late-summer to autumnal senescence using hierarchical models. Our results confirmed that both PRI and SIF were strongly influenced by illumination with PRI decreasing and SIF increasing with illumination. Both slope and intercept of the PRI-albedo relationship changed with season, but the pattern varied among species and functional types. SIF values decreased during autumnal senescence for all species, but evergreen species exhibited less seasonal decline in the slope of SIF-albedo relationship compared to deciduous species. The PRI and SIF light responses derived from the airborne imagery offer complementary information on dynamic photosynthesis responses presumably due to varying canopy structure, pigmentation and photoprotection among species and functional types. From airborne platforms, PRI- and SIF-light responses can be used to explore the contrasting physiological responses of individual tree crowns, providing a spatially and temporally explicit view of dynamic plant traits related to photoregulation and a novel view of functional diversity for entire landscapes.

Structural And Functional State Of Various Zones Of Skin Microcirculation In Men With Isolated Diastolic Hypertension

The objective of our study was to assess the structural and functional characteristics of various skin microcirculation zones in men with newly diagnosed isolated diastolic hypertension (IDH). Material and Methods — Our study sample included 275 men (aged 30 to 60 years) subjected to the comprehensive medical examination, which included blood tests, videocapillaroscopy (VCS) on the left ring finger, laser Doppler flowmetry (LDF) in the skin of the middle finger tip and forearm at rest, functional tests and photoplethysmography (PPG) on the left forefinger, determination of flow-mediated vasodilation of the brachial artery, echocardiography, ultrasound imaging of extracranial and femoral arteries, and also 24-hour ambulatory blood pressure monitoring (ABPM). According to the ABPM data, an isolated increase in diastolic blood pressure (BP) was noted in 83 subjects who formed the IDH group. The control group (CG) consisted of 90 men with normal BP. Results — VCS and LDF revealed no significant differences between the groups at the scale of capillaries and precapillary arterioles. According to PPG, IDH subjects had significantly higher values of reflection index vs. the CG (35.6% vs. 30.4%, p=0.0013) and lower values of ejection duration (310.5 ms and 319.5 ms, p=0.0159), respectively. Conclusion — The greatest contribution to peripheral vascular resistance in men with IDH most likely comes from large muscle arterioles, in which neurogenic regulation of vascular tone prevails.

Long-term annual estimation of forest above ground biomass, canopy cover, and height from airborne and spaceborne sensors synergies in the Iberian Peninsula

The Mediterranean Basin has experienced substantial land use changes as traditional agriculture decreased and population migrated from rural to urban areas, which have resulted in a large forest cover increase. The combination of Landsat time series, providing spectral information, with lidar, offering three-dimensional insights, has emerged as a viable option for the large-scale cartography of forest structural attributes across large time spans. Here we develop and test a comprehensive framework to map forest above ground biomass, canopy cover and forest height in two regions spanning the most representative biomes in the peninsular Spain, Mediterranean (Madrid region) and temperate (Basque Country). As reference, we used lidar-based direct estimates of stand height and forest canopy cover. The reference biomass and volume were predicted from lidar metrics. Landsat time series predictors included annual temporal profiles of band reflectance and vegetation indices for the 1985–2023 period. Additional predictor variables including synthetic aperture radar, disturbance history, topography and forest type were also evaluated to optimize forest structural attributes retrieval. The estimates were independently validated at two temporal scales, i) the year of model calibration and ii) the year of the second lidar survey. The final models used as predictor variables only Landsat based metrics and topographic information, as the available SAR time-series were relatively short (1991–2011) and disturbance information did not decrease the estimation error. Model accuracies were higher in the Mediterranean forests when compared to the temperate forests (R2 = 0.6–0.8 vs. 0.4–0.5). Between the first (1985–1989) and the last (2020–2023) decades of the monitoring period the average forest cover increased from 21 ± 2% to 32 ± 1%, mean height increased from 6.6 ± 0.43 m to 7.9 ± 0.18 m and the mean biomass from 31.9 ± 3.6 t ha−1 to 50.4 ± 1 t ha−1 for the Mediterranean forests. In temperate forests, the average canopy cover increased from 55 ± 4% to 59 ± 3%, mean height increased from 15.8 ± 0.77 m to 17.3 ± 0.21m, while the growing stock volume increased from 137.8 ± 8.2 to 151.5 ± 3.8 m3 ha−1. Our results suggest that multispectral data can be successfully linked with lidar to provide continuous information on forest height, cover, and biomass trends.

Structural, electronic, and optical properties of ferroelectric hybrid (Me[formula omitted]NH[formula omitted])[NaFe(CN)[formula omitted](NO)] crystal: Density functional theory simulation

Utilizing density functional theory (DFT), we embarked on a comprehensive investigation of the structural, electronic, and optical properties characteristic of the ferroelectric hybrid (Me2NH2)[NaFe(CN)5(NO)] crystal. The geometry of the crystal structure in the Pna21 phase was optimized. We simulated the electronic band structure within the first Brillouin zone. The calculated band gap for the indirect U-X transition is 2.401 eV, indicative of a wide band gap semiconductors. We also simulated the density of electronic states across the Brillouin zone. The simulation of the electronic structure revealed that the crystal comprises both ionic and covalent bonds. We accurately predicted various optical parameters including the dielectric function, conductivity, reflectivity, loss function, absorption, and refractive index. The reflectivity of the crystal does not exceed 21 percent. All calculated optical properties of the (Me2NH2)[NaFe(CN)5(NO)] crystal are anisotropic.

Tailoring structural and optical properties of ZnO system through elemental Mn Doping through First-principles calculations

In this study, band structure and optical properties of Manganese (Mn) doped ZnO are investigated adopting first-principles study calculations. It is observed that, by addition of Mn in ZnO crystal, the electrical properties like conductivity and dielectric function of material have been improved. The elastic constants for the elements are also calculated which shows that the element is stable after addition of dopant. The computational study is done on CASTEP and Material Studio. The ZnO system is simulated and atoms of Mn has been added replacing Zn atoms. The properties that studied are band structure and optics including conductivity, reflectivity, dielectric function, absorption and refractive index. Furthermore, this study also includes calculation of Elastic constants, XRD Spectra, Phonon dispersion and Temperature profile of doped ZnO systems. The computational study produced promising results and experimental approach can be adopted to reinforce the outcomes of this study.

UV light and adaptive divergence of leaf physiology, anatomy, and ultrastructure drive heat stress tolerance in genetically distant grapevines.

The genetic basis of plant response to light and heat stresses had been unveiled, and different molecular mechanisms of leaf cell homeostasis to keep high physiological performances were recognized in grapevine varieties. However, the ability to develop heat stress tolerance strategies must be further elucidated since the morpho-anatomical and physiological traits involved may vary with genotype × environment combination, stress intensity, and duration. A 3-year experiment was conducted on potted plants of Sardinian red grapevine cultivars Cannonau (syn. Grenache) and Carignano (syn. Carignan), exposed to prolonged heat stress inside a UV-blocking greenhouse, either submitted to low daily UV-B doses of 4.63 kJ m-2 d-1 (+UV) or to 0 kJ m-2 d-1 (-UV), and compared to a control (C) exposed to solar radiation (4.05 kJ m-2 d-1 average UV-B dose). Irrigation was supplied to avoid water stress, and canopy light and thermal microclimate were monitored continuously. Heat stress exceeded one-third of the duration inside the greenhouse and 6% in C. In vivo spectroscopy, including leaf reflectance and fluorescence, allowed for characterizing different patterns of leaf traits and metabolites involved in oxidative stress protection. Cannonau showed lower stomatal conductance under C (200 mmol m-2 s-1) but more than twice the values inside the greenhouse (400 to 900 mmol m-2 s-1), where water use efficiency was reduced similarly in both varieties. Under severe heat stress and -UV, Cannonau showed a sharper decrease in primary photochemical activity and higher leaf pigment reflectance indexes and leaf mass area. UV-B increased the leaf pigments, especially in Carignano, and different leaf cell regulatory traits to prevent oxidative damage were observed in leaf cross-sections. Heat stress induced chloroplast swelling, plastoglobule diffusion, and the accumulation of secretion deposits in both varieties, aggravated in Cannonau -UV by cell vacuolation, membrane dilation, and diffused leaf blade spot swelling. Conversely, in Carignano UV-B, cell wall barriers and calcium oxalate crystals proliferated in mesophyll cells. These responses suggest an adaptive divergence among cultivars to prolonged heat stress and UV-B light. Further research on grapevine biodiversity, heat, and UV-B light interactions may give new insights on the extent of stress tolerance to improve viticulture adaptive strategies in climate change hotspots.

PFOA accumulation in the leaves of basil (Ocimum basilicum L.) and its effects on plant growth, oxidative status, and photosynthetic performance

BackgroundPerfluoroalkyl substances (PFASs) are emerging contaminants of increasing concern due to their presence in the environment, with potential impacts on ecosystems and human health. These substances are considered “forever chemicals” due to their recalcitrance to degradation, and their accumulation in living organisms can lead to varying levels of toxicity based on the compound and species analysed. Furthermore, concerns have been raised about the possible transfer of PFASs to humans through the consumption of edible parts of food plants. In this regard, to evaluate the potential toxic effects and the accumulation of perfluorooctanoic acid (PFOA) in edible plants, a pot experiment in greenhouse using three-week-old basil (Ocimum basilicum L.) plants was performed adding PFOA to growth substrate to reach 0.1, 1, and 10 mg Kg− 1 dw.ResultsAfter three weeks of cultivation, plants grown in PFOA-added substrate accumulated PFOA at different levels, but did not display significant differences from the control group in terms of biomass production, lipid peroxidation levels (TBARS), content of α-tocopherol and activity of ascorbate peroxidase (APX), catalase (CAT) and guaiacol peroxidase (POX) in the leaves. A reduction of total phenolic content (TPC) was instead observed in relation to the increase of PFOA content in the substrate. Furthermore, chlorophyll content and photochemical reflectance index (PRI) did not change in plants exposed to PFAS in comparison to control ones. Chlorophyll fluorescence analysis revealed an initial, rapid photoprotective mechanism triggered by PFOA exposure, with no impact on other parameters (Fv/Fm, ΦPSII and qP). Higher activity of glutathione S-transferase (GST) in plants treated with 1 and 10 mg Kg− 1 PFOA dw (30 and 50% to control, respectively) paralleled the accumulation of PFOA in the leaves of plants exposed to different PFOA concentration in the substrate (51.8 and 413.9 ng g− 1 dw, respectively).ConclusionDespite of the absorption and accumulation of discrete amount of PFOA in the basil plants, the analysed parameters at biometric, physiological and biochemical level in the leaves did not reveal any damage effect, possibly due to the activation of a detoxification pathway likely involving GST.