Extinction Coefficient Values Research Articles

Enhancing instrumental sustainability: a spectrophotometric approach for quantifying iodate in nutritionally significant salts through the adaptation of the classical iodometry method

With the primary objective of transitioning from the classical iodometric method to an instrumental approach, preserving precision in the analytical process, this study presents the development of a spectrophotometric method for quantifying iodate (iodine equivalent) in nutritionally significant salts. Therefore, the wavelengths of maximum absorption of the I3- (350.8 nm) and I3-starch (574.1 nm) complexes were determined. The complexes demonstrated stability, as indicated by the respective molar extinction coefficient values (ε) obtained over the course of the reaction time (measured up to 1h, at 5-minute intervals, and at 28°C), for concentrations ranging from 7.81×10-6 to 1.25×10-4 mols/L of KIO3. A linear correlation between concentration and absorbance was established within the specified concentration range, with detection and quantification limits defined as 0.09 and 0.29 mg/L (350.8 nm) and 0.13 and 0.39 mg/L (574.1 nm), respectively, and calculated recovery of 102.9%. The reproducibility of the method was assessed by varying the analyst, the equipment, and the analysis day. Using the developed method, it became feasible to quantify the elemental iodine equivalent in three commercially available salts commonly employed for food purposes. When compared to the classical/traditional iodometric method, the spectrophotometric method for quantifying iodate in salts showcases sustainability with minimized solvent and reagent usage, reduced waste generation, shorter analysis time, and lower sample requirements, aligning with environmentally conscious analytical practices.

Determination of Optical Properties of Commercial Thin Film Polymers Used for Solar Protection Applications

A procedure is proposed to determine the optical properties of commercial polymeric films used as solar control for building skins. The spectral variation (190-1100 nm) of the refractive index and extinction coefficient of the samples was obtained through the simulation of the experimental transmittance spectra of the samples. Polyvinyl chloride (PVC) and polyethylene terephthalate (PET) films were analyzed. Refractive index values between 1.1 and 2.5 at λ = 500 nm and extinction coefficient values of 104 cm-1 in the ultraviolet (UV) region were found. All these results show a good fit with those given in the literature for similar thin films. A new concept for the illumination and temperature control of buildings by the use of polymeric thin films as a transparent solar protection material is presented.

The radiative impact of biomass burning aerosols on dust emissions over Namibia and the long-range transport of smoke observed during the Aerosols, Radiation and Clouds in southern Africa (AEROCLO-sA) campaign

Abstract. The radiative effects of biomass burning aerosols (BBAs) on low-level atmospheric circulation over southern Africa are investigated on 5 September 2017 during the Aerosols, Radiation and Clouds in southern Africa (AEROCLO-sA) field campaign. This is conducted using a variety of in situ and remote sensing observations, as well as two 5 d ensemble simulations made with the Meso-NH mesoscale model, one including the direct and semi-direct radiative effects of aerosols and one in which these effects are not included. We show that the radiative impact of BBA building up over a period of 5 d in the Meso-NH simulations can lead to significantly different circulations at low and middle levels, thereby affecting dust emissions over southern Namibia and northwestern South Africa as well as the transport of BBA in a so-called “river of smoke”. While most of the regional-scale dynamics, thermodynamics and composition features are convincingly represented in the simulation with BBA radiative effects, neglecting the radiative impact of BBA leads to unrealistic representations of (i) the low-level jet (LLJ) over the plateau, which is the main low-level dynamic feature fostering dust emission, and (ii) the mid-level dynamics pertaining to the transport of BBA from the fire-prone regions in the tropics to the mid-latitudes. For instance, when the BBA radiative impacts are not included, the LLJ is too weak and not well established over night, and the developing convective planetary boundary layer (PBL) is too deep compared to observations. The deeper convective PBL over Etosha and surrounding areas is related to the enhanced anomalous upward motion caused by the eastern displacement of the river of smoke. This eastern displacement is, in turn, related to the weaker southerly African easterly jet. Both ensemble simulations provide clear evidence that the enhanced near-surface extinction coefficient values detected from observations over Etosha are related to the downward mixing of BBA in the developing convective boundary layer rather than dust being emitted as a result of the LLJ breakdown after sunrise. This study suggests that the radiative effect of BBAs needs to be taken into account to properly forecast dust emissions in Namibia.

Linear and non-linear optical and dielectric properties of transition metals complexes films derived from Azo-Schiff base for photovoltaic applications

A novel azo-Schiff base, which incorporates a heterocyclic triazole nucleus known as 1H-1,2,4-triazol-5-yl)imino)methyl)-5-((2-nitrophenyl)diazenyl)phenol (H2ASB, 1), was formulated and synthesized. Furthermore, a series of Cu2+ complexes, derived from this azo-Schiff base, were prepared by a simple method with a molar ratio of 1 M Cu2+ to 1 M H2ASB. The synthesized compounds were thoroughly characterized using alternative analytical and spectral techniques. The obtained results confirmed that H2ASB bonded with the Cu2+ ions in a uni-negative/neutral bidentate manner, via the phenolic hydroxyl oxygen and azomethine nitrogen atom, thereby resulting in tetrahedral or octahedral geometries. Additionally, theoretical studies employing DFT/B3LYP/LanL2DZ were conducted, which included the assessment of global reactivity descriptors, dipole moment, molecular electrostatic potential image (MEP), optimized geometry, and the LUMO-HOMO energy gap to support the geometrical structure of the synthesized compounds. On the other side, the optical constants of H2ASB and its complexes have been studied over 300–1500 nm spectral range. The optical band gap (Eg) values of the present film's changes from 1.92 eV for H2ASB to 1.45 eV for CuHASB(5) film whereas the static index of refraction (n) takes a different behavior. The obtained values of n and Eg are the same as those recorded for many semiconductor materials. This means that, compared to the cost and ease of preparation, these films under study could replace many other semiconductors, such as CdTe with (Eg = 1.5 eV) which is the same value of CuHASB(4) film. With the help of n and extinction coefficient (k) values, the dielectric and non-linear optical parameters have been estimated and well discussed. Finally, the sheet resistance (Rs) and thermal emissivity (εth) changes due to the incident photon energy have been investigated. It was observed that, the change of Rs and εth with E is opposite to the change of other parameters such as the absorbance and optical conductivity.

Analysing the suitability of CaTiO3/Ca1–xSrxTiO3/SrTiO3 perovskite for fabrication of optoelectronic devices using QuantumATK tool: a study for electronic and optical properties

Calcium Titanate (CaTiO3) as a material has been researched for various applications like those in capacitors, piezoelectric devices and ceramic applications. Same has been possible owing to the exhibition of various characteristics of this material like high melting point (1,625 °C) and dielectric properties. However, only limited studies have been conducted to understand the impact of Strontium (Sr) doping and possibility of adopting this material into any kind of optoelectronic applications. This paper carries on an in-depth analysis on CaTiO3 and study effect of Sr as a dopant on its properties. Analysis has been carried out using Quantum ATK tool based on DFT approximations. CaTiO3 perovskite properties were studied by using the GGA (Generalized Gradient Approximation) and PBE (Perdew–Burke–Ernzerhof) functionals, which are used with the LCAO calculator. As a result of the inclusion of Sr at the Ca site, the electronic band structure of CaTiO3 was changed by the introduction of a gamma point. Bandgap of CaTiO3 was analysed to be dependent on the Sr site concentration and increased from 2.3 eV (Direct bandgap) to 2.3612 eV (Indirect bandgap), when Sr and Ca site concentration were equal, but it decreased with further increase in Sr site concentration to 1.7155 eV. Pure CaTiO3’s projected density of states changed after doping, providing evidence for the effects of the dopant on the system. As a result of an examination of the optical properties of both systems, it is found that CaTiO3 at 380 nm (close to infrared) exhibits an effective extinction coefficient (k) value of 0.78, whereas at 600 nm, the attenuation of light decreases to zero. This makes Sr doping in CaTiO3 another attractive candidate for optical devices in addition to its ability to change optical properties.

Investigations on Chemically Synthesized Pure and Doped Manganese Dioxide Nanoparticles for Dye Removal and Photocatalytic Applications.

Pure and Mg2+, Ni2+, Cd2+ doped MnO2 nanoparticles were synthesized by chemical co-precipitation method. These samples were characterised by PXRD, SEM, EDX, FTIR, UV-Vis-NIR, PL, Antibacterial, Cyclic Voltammetry, Dye Degradation and Photocatalytic studies. From the powder XRD studies, the crystallite size of the particle was calculated using Scherer formula and found that the synthesized nanoparticles were in the range from 10 to 12nm. The morphology of all the synthesized samples was viewed from SEM micrograph. The composition and purity of the samples were identified from EDX studies. In FTIR spectra metal-oxygen stretching and bending modes of vibrations were observed. From the absorption spectra of UV-Vis optical analysis values of absorption coefficient, extinction coefficient, refractive index, real and imaginary part of optical dielectric constant and optical conductivity were compared. The band gap energy obtained from Tauc's plot varies from 1.21 to 1.51eV exhibits semiconducting behaviour of all the synthesized samples. Investigations on photoluminecsence spectrum reveals blue shift in wavelength for doped nanooxides compared to pure MnO2. Antimicrobial activity of synthesised samples against gram positive and gram negative bacteria was determined. The obtained results reveal very high bacterial resistance in Cd2+ doped MnO2 nanoparticles with higher activity towards bacterial resistance compared to standard drug. The specific capacitance values were determined from Cyclic Voltammetry studies. Using the batch method of dye removing technique the percentage of malachite green dye removal was calculated. Also the photocatalytic efficiency of all the synthesized MnO2 samples in removing malachite green dye was studied by exposing to sunlight for different dosage and contact time. Ni2+ doped MnO2 shows relatively higher % of dye degradation capacity about 93% for 0.1g of dosage of photocatalysts.

Photochemical Povarov-type Reactions: Electron Donor-Acceptor Photoactivation by Visible Light.

This report investigates the mechanism of photochemical Povarov-type reactions of N,N-dialkylanilines and maleimides in polar solvents (DMF or dioxane) in the presence of light. Fundamental aspects of the electron donor-acceptor (EDA) photoactivation pathway proposed to underpin this chemistry are examined through integrated experimental and computational studies. This approach provided evidence supporting the involvement of an EDA complex in facilitating this chemistry via a reaction mechanism that does not involve a triplet manifold. Most notably, our findings indicate that relying solely on UV-vis absorption spectroscopic data to either account for or predict reactivity in synthetic experiments may not always provide the complete picture. More specifically, this relates to considering UV-vis absorption spectroscopic data, calculated values for association constants (KEDA) and molar extinction coefficients (ε), with the reactivity observed in associated synthetic reactions in practice.

Enhanced Optical and Thermal Properties of a Novel Yellow Quinophthalone Derivative for Color Filter Colorants in Image Sensors

Herein, the design and synthesis of novel yellow quinophthalone derivatives, 4,5,6,7‐tetrachloro‐2‐(6‐chloro‐2‐(3‐hydroxy‐1‐oxo‐1H‐cyclopenta[b]naphthalen‐2‐yl)quinolin‐4‐yl)isoindoline‐1,3‐dione (pC‐QP) and 4,5,6,7‐tetrachloro‐2‐(7‐chloro‐2‐(3‐hydroxy‐1‐oxo‐1H‐cyclopenta[b]naphthalen‐2‐yl)quinolin‐4‐yl)isoindoline‐1,3‐dione (mC‐QP), are used for use as yellow colorants in image sensors. The synthesized compounds are designed to modulate the optical properties based on the substituted positions of the chloride group within the quinophthalone structure. The solubility of pC‐QP and mC‐QP in propylene glycol monomethyl ether acetate solvent is found to be 0.08 and 0.15 wt%, respectively. The molar extinction coefficient values of pC‐QP and mC‐QP in solution are determined to be 3.14 × 104 and 3.62 × 105 L mol−1 cm−1, respectively. The transmittance of mC‐QP meets commercial requirements, exhibiting less than 0.3% between 412 and 475 nm and over 91% above 530 nm. Both pC‐QP and mC‐QP demonstrate high thermal stability with decomposition temperatures of 464 and 393 °C, respectively. As a result, mC‐QP emerges as an excellent candidate material for use as a yellow colorant in image sensors due to its outstanding properties.

Enhancing saturable absorption in a Au-decorated MoS2/PEDOT:PSS nanocomposite through plasmon resonance and Pauli blocking.

We have effectively demonstrated a technique for substantial alteration of the nonlinear saturable absorption (SA) properties in nanocomposite films (NCF) composed of poly(3,4-ethylenedioxythiophene) doped with poly(4-styrenesulfonate) (PEDOT:PSS) and molybdenum disulfide (MoS2) decorated with gold nanoparticles (AuNPs). This control is achieved by adjusting the AuNP concentration on the MoS2 surface and varying the input pulse energy of the laser. The simple drop-casting method is used to create the nanocomposite films (NCFs) on a glass substrate with different amounts of Au-decorated MoS2. The Kramers-Kronig equations are employed for determining the refractive index and extinction coefficient values of the resulting NCFs. Nonlinear investigations reveal that adding Au-decorated MoS2 to pure PEDOT:PSS alters its optical nonlinearity. Surface plasmon resonance and Pauli blocking have been observed in Au-decorated MoS2/PEDOT:PSS NCFs. This increases NCF's saturable absorption. An open aperture Z-scan method is utilized to study nonlinear optics, with excitation achieved using a nanosecond (ns) pulsed laser operating at a 532 nm wavelength. The findings reveal the noteworthy saturable absorption characteristics of the NCFs.

Green synthesis of ethyl cinnamates under microwave irradiation: photophysical properties, cytotoxicity, and cell bioimaging.

A simple and green method for the synthesis of six ethyl cinnamates was performed via Horner-Wadsworth-Emmons reaction under microwave irradiation. The photoluminescent properties of all compounds in ethyl acetate solutions were evaluated demonstrating that all compounds exhibit fluorescence. Five compounds exhibited blue emissions in the 369-442 nm range, and another compound exhibited blue-green emission at 504 nm. This last compound showed the largest Stokes shift (134 nm), and the highest quantum yield (17.8%). Two compounds showed extinction coefficient values (ε) higher than 30 000 M-1 cm-1, which are appropriate for cell bioimaging applications. In this sense, cytotoxicity assays were performed using Vero cells at different concentrations; the results showed that these compounds were not cytotoxic at the highest concentration tested (20 μg mL-1). Finally, the analysis by fluorescence microscopy for localization and cellular staining using Vero cells demonstrated that the compounds stained the cytoplasm and the nuclei in a selective way.

Role of Pauli blocking for enhancement of saturable absorption in MoS2/PEDOT:PSS nanocomposite films

We have effectively shown a technique for significantly altering the nonlinear saturable absorption (SA) properties of nanocomposite films (NCFs) based on poly(3,4-ethylenedioxythiophene) doped with poly(4-styrenesulfonate) (PEDOT:PSS) and molybdenum disulfide (MoS2) by regulating MoS2 concentration and input pulse energy of the laser. The NCFs are made using the straightforward drop-cast process on a glass substrate with varying quantities of MoS2. The produced NCFs’ refractive index (n) and extinction coefficient (k) values are determined using the Kramers–Kronig equations. Nonlinear studies show that the optical nonlinearity of pure PEDOT:PSS changes when mixed with MoS2. The Pauli blocking has been observed in MoS2/PEDOT:PSS NCFs. This leads to enhanced SA in NCF. The open-aperture Z-scan approach is used for the nonlinear optical research, and a nanosecond pulsed laser with a wavelength of 532 nm is used for the excitation. The findings obtained show the NCFs’ strong SA qualities.

A novel application of synthesised based squarylium dyes on nylon 6, and silk woven fabrics

Abstract Squarylium dyes were synthesized and characterized by different spectrometric techniques using FT-IR, UV-visible and GC–MS, the dyes gave molar extinction coefficient values greater than 5.2812 × 105 L mol−1 cm−1. Their fastness properties in respect to wash, light, perspiration and hot pressing on nylon 6, and silk fabrics were analyzed, effects of time, temperature, carrier concentration and pH was also investigated and reported. The dyed fabrics showed good to very good wash, light fastness, and perspiration good to very good hot pressing on nylon 6 and good to very good on silk fabric, respectively. The dye-bath exhaustion was found to be between 76 and 92% on nylon 6 and 57 and 85% on silk, respectively. The percentage exhaustion on nylon 6 was found to be very good to excellent but on silk it was found to be good to very good. These studies showed that squarylium dyes can be applied to nylon 6 and silk fabrics, but better performance was found on nylon 6 than silk fabric.

Numerical simulation of duct flow in the presence of participating media radiation with total energy based entropic lattice Boltzmann method

Consideration of the effect of participating media radiation becomes essential for industrial systems due to the increasing use of high temperature materials. Participating media radiation is present in these systems with all other modes of heat transfer. The Lattice Boltzmann method is emerging as a powerful technique to handle the heat flow problems involving participating media radiation. This work proposes a specific method for applying the total energy based formulation of the double population entropic Lattice Boltzmann method for flow problems with participating media. All flow variables are calculated by means of an integrated Lattice Boltzmann solver for mass, momentum, energy and radiative energy propagation. The formulation based on the total energy is modified to account for the effects of the participating media. The modification is verified by the Chapman–Enskog procedure. Reference cases are adopted for validation of the model and formulation. Detailed analyses of the physics involving the flow structure and radiation properties as well as the implementation details of the computation procedure are given. The interactions of the flow field with the participating media in duct flow are investigated varying Reynolds number, single scattering albedo and extinction coefficient values.

Stabilization of organic extra virgin olive oil using maceration and ultrasound-assisted extraction of natural antioxidants from Artemisia absinthium leaves

Olive oil is the most popular product derived from Olea europaea L. due to its organoleptic characteristics and its beneficial effects on human health. Nowadays, there is a growing interest in olive oil enrichment with medicinal plants. In this regard, Artemisia absinthium L. is an edible source of antioxidants. The aim of the present study was to improve the oxidative stability and the nutritional value of Organic Tunisian Chetoui Olive oil by its enrichment with the phenolic compounds in Artemisia absinthium. The enrichment carried out by maceration and ultrasound-assisted extraction did not affect the organic criteria of olive oil. The comparative study, performed during one year of storage, showed that ultrasound-assisted extraction led to the lowest final peroxide and extinction coefficient values. At the end of storage, this method increased oleic acid content and biophenol contents. Furthermore, the anti-radical activities of enriched samples were higher than the control.

Determination of scattering and Urbach absorption contributions to the light extinction in PTFE films by using graphical representation technique and numerical solution of the inverse problem

Ellipsometrically obtained spectral dependences of ordinary αxy and extra-ordinary αz extinction/attenuation coefficients within the spectral range λ = 300…980 nm of uniaxially anisotropic polytetrafluoroethylene (PTFE) films were analyzed. We considered the capabilities and specific features of the graphical representation technique for determining the contribution of Rayleigh scattering and Urbach absorption to light attenuation in the spectral range beyond fundamental absorption. It has been shown that the graphical approach enables to estimate these contributions qualitatively, semi-quantitatively or quantitatively, depending on the situation. The conclusions made using the analysis of graphical representation are confirmed by numerical solution of the inverse problem via simulation of the αxy (λ), αz (λ) experimental dependences within the framework of a best-fit procedure. Being based on both of these approaches, we have ascertained that, in the as-prepared PTFE films, the so-called anomalous light scattering (ALS) with the spectral dependence of scattering coefficient αs ≈ as λ–p (p > 4) takes place. Transformation of scattering from ALS to the Rayleigh one with p ≈ 4 due to annealing is accompanied by an increase of Urbach (subband) absorption. Both of these factors cause narrowing the dynamic range of extinction coefficient values. Both scattering and absorption coefficients are higher for the component of light polarized along the normal to the substrate as compared to the component polarized in parallel to it. The relationship between observed behavior of the scattering and absorption coefficients and the film structure has been discussed.

Climatology of aerosol types and their vertical distribution over Iran using CALIOP dataset during 2007–2021

The present study uses a Lidar-based aerosol type's extinction coefficient (EC) of the Cloud–Aerosol Lidar with Orthogonal Polarization (CALIOP) on the Cloud–Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) mission to investigate the spatio-temporal changes in the vertical cross section of aerosols from 2007 to 2021 in Iran. Aerosol characteristics i.e., the EC values (levels) and frequency are presented in a seasonal time scale. The trend of aerosol types EC in the vertical profile was estimated using Sen's slope estimator. Moreover a Pearson's correlation was employed to assess the link between climatic factors (temperature, pressure and relative humidity) and aerosol types EC. It is found that smoke followed by polluted continental have the largest EC levels than dust and polluted dust. The highest level and frequency of dust EC were observed in summer at an average altitude of 0.7 and 4.5 km, respectively in southern Iran. The highest level and greatest frequency of polluted continental were detected in summer and winter respectively at an altitude of below 2 km in the southern and northern polluted cities of Iran. The highest level and the greatest frequency of polluted dust EC were recorded in summer in the south of Iran at an average altitude of 4.5 km. Both the maximum smoke EC level and frequency were detected in winter and in the south of Iran at an average altitude of 4 km. A significant decreasing (increasing) trend of dust (polluted continental) EC was observed in spring and summer (summer) at an altitude below 5 (3) km in most regions (northern part) of Iran. Polluted dust showed an increasing trend in spring in most regions at an altitude below 5 km. The correlation between climatic factors and aerosol EC varied according to seasons, altitudes, and aerosol type. The common feature was the positive correlation between aerosol types EC and relative humidity in most regions, seasons and altitudes. In the final step, six polluted cities were analyzed for aerosol's trend and the correlations.

Optical constants of polycrystalline Al0.25Ga0.75P and Al0.9Ga0.1As determined by variable-angle spectroscopic ellipsometry

The optical constants of single-crystal AlxGa1−xP and AlxGa1−xAs have been widely studied at various Al compositions but have not yet been thoroughly investigated as polycrystalline materials. Using variable-angle spectroscopic ellipsometry, we estimate and analyze the optical constants of polycrystalline Al0.25Ga0.75P and Al0.9Ga0.1As that were non-epitaxially deposited at deposition temperatures of either 250 or 420 °C, and with various dopant species, dopant concentrations, and V/III flux ratios. For wavelengths of 350–400 nm, decreasing the V/III ratio increases the refractive index of Be-doped polycrystalline Al0.25Ga0.75P. For wavelengths >500 nm, as the targeted Be dopant concentration increases for polycrystalline Al0.25Ga0.75P, the amount the extinction coefficient increases and the indirect bandgap decreases depends on the V/III ratio. Furthermore, Si-doped polycrystalline Al0.25Ga0.75P has significantly smaller extinction coefficient values than when it is Be-doped, for the same V/III ratio and targeted doping concentration, at wavelengths >500 nm. Based on our findings, we hypothesize that the dopant species, dopant concentration, and the V/III ratio dictate various types of defect concentrations, which then affect the optical constants and indirect bandgap of polycrystalline Al0.25Ga0.75P. Additionally, for wavelengths >500 nm, we find that polycrystalline Al0.25Ga0.75P and Al0.9Ga0.1As have the lowest extinction coefficient values when deposited at 420 °C, as opposed to 250 °C. Thus, we hypothesize that the deposition temperature is the most significant factor in dictating the optical constants of these polycrystalline III-Vs. Ultimately, this work demonstrates alternative methods to tune the optical constants of polycrystalline Al0.25Ga0.75P and Al0.9Ga0.1As, as opposed to tuning the Al composition.

Environment-friendly and high-performance azo dye substitutes for enhanced optical characteristics and color fastness: Design and screening, risk assessment and mechanism analysis

Azo Dyes (ADs) are one of the most widely used dyes as they are characterized by high molar extinction coefficient and color fastness. However, it is difficult to remove them from the environment because of their stable structure. One of the bottlenecks in this field is to design environment-friendly and high-performance AD substitutes. Disperse Blue 79, which is commonly used in the dye industry, has been used as a target molecule for designing AD substitutes. A total of 27 substitutes with higher comprehensive effect value of molar extinction coefficient and color fastness (amplification > 20 %) were designed. After the assessment of environmental characteristics, stability and human health risk using the 3D-QSAR, molecular docking, density functional theory (DFT), and toxicokinetic techniques, the Derivative-47 was screened out. The synthetic possibility and characteristic enhancement mechanism of Derivative-47 were calculated using DFT and time-dependent density functional theory (TDDFT). Results showed the designed substitutes could be potentially synthesized in real environment (Gibbs free energy = −122.37 a.u < 0). The change in MO pairs, orbital transition and the electron transfer characteristics between the ground and excited states were the main reasons for the enhancement of molar extinction coefficient. Moreover, the increased color fastness could be primarily related to the reaction intensity of nucleophilic reaction site and the ability of molecules to lose electrons. This study aims to establish a system that integrates design, selection, and evaluation processes, provides new insights for the design of environment-friendly AD substitutes with higher molar extinction coefficient and color fastness.

Synthesis, characterization, and nonlinear optical properties of copper (II) ligand Schiff base complexes derived from 3-Nitrobenzohydrazide and benzyl

A new series of Cu (II) complexes were prepared using Schiff base ligand of N–N′-(1,2-diphenyl ethane-1,2-diylidene)bis(3-Nitrobenzohydrazide). The prepared ligand and Cu (II) complex were characterized using various physicochemical investigations such as X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), and Energy dispersive X-ray analysis (EDX), Fourier Transform Infrared (FT-IR), {}^{13}C Nuclear Magnetic Resonance (NMR), {}^{1}H NMR, Diffuse Reflectance Spectroscopy (DRS), Vibrating Sample Magnetometer (VSM), and Z-Scan technique (Nonlinear optical (NLO) properties). In addition, the prepared samples have been examined for their NLO characteristics with the help of the Density Functional Theory calculations which proved that the Cu (II) Complex is more polarized than Ligand. According to XRD and FESEM results, the nanocrystalline nature of the samples is confirmed. The metal-oxide bond assigned in the functional studies by FTIR. Magnetic studies demonstrate weak ferromagnetic and paramagnetic nature for Cu (II) complex and diamagnetic nature for the ligand, respectively. DRS spectrum exhibited higher reflectance for Cu (II) than the ligand. The band gap energies of the synthesized samples were estimated by employing the Tauc relation and Kubelka–Munk theory on reflectance data and found to be 2.89 eV and 2.67 eV for Cu (II) complex and ligand, respectively. Extinction coefficient and refractive index values were calculated using the Kramers–Kronig method. The z-scan technique was applied to estimate the NLO properties by a 532 nm Nd:YAG laser.

Wheat crop traits conferring high yield potential may also improve yield stability under climate change

Abstract Increasing genetic wheat yield potential is considered by many as critical to increasing global wheat yields and production, baring major changes in consumption patterns. Climate change challenges breeding by making target environments less predictable, altering regional productivity and potentially increasing yield variability. Here we used a crop simulation model solution in the SIMPLACE framework to explore yield sensitivity to select trait characteristics (radiation use efficiency [RUE], fruiting efficiency and light extinction coefficient) across 34 locations representing the world’s wheat-producing environments, determining their relationship to increasing yields, yield variability and cultivar performance. The magnitude of the yield increase was trait-dependent and differed between irrigated and rainfed environments. RUE had the most prominent marginal effect on yield, which increased by about 45 % and 33 % in irrigated and rainfed sites, respectively, between the minimum and maximum value of the trait. Altered values of light extinction coefficient had the least effect on yield levels. Higher yields from improved traits were generally associated with increased inter-annual yield variability (measured by standard deviation), but the relative yield variability (as coefficient of variation) remained largely unchanged between base and improved genotypes. This was true under both current and future climate scenarios. In this context, our study suggests higher wheat yields from these traits would not increase climate risk for farmers and the adoption of cultivars with these traits would not be associated with increased yield variability.