Increasing Se Content Research Articles

Multifunctional Dyeing of Wool Fabrics Using Selenium Nanoparticles.

This work aims to utilize selenium nanoparticles (Se-NPs) as a novel dyestuff, which endows wool fibers with an orange color because of their localized surface plasmon resonance. The color characteristics of dyed fibers were evaluated and analyzed. The color depth of the dyed fabrics under study was increased with the increase in Se content and dyeing temperature. The colored wool fabrics were characterized using scanning electron microscopy (SEM), energy dispersive spectroscopy (EDX) and an X-ray diffraction (XRD) analysis. The results indicated that spherical Se-NPs with a spherical shape were consistently deposited onto the surface of wool fibers with good distribution. In addition, the influence of high temperature on the color characteristics and imparted functionalities of the dyed fabrics were also investigated. The obtained results showed that the proposed dyeing process is highly durable to washing after 10 cycles of washes, and the acquired functionalities, mainly antimicrobial activity and UV-blocking properties, were only marginally affected, maintaining an excellent fastness property.

The Art of Positronics in Contemporary Nanomaterials Science: A Case Study of Sub-Nanometer Scaled Glassy Arsenoselenides.

The possibilities surrounding positronics, a versatile noninvasive tool employing annihilating positrons to probe atomic-deficient sub-nanometric imperfections in a condensed matter, are analyzed in application to glassy arsenoselenides g-AsxSe100−x (0 < x < 65), subjected to dry and wet (in 0.5% PVP water solution) nanomilling. A preliminary analysis was performed within a modified two-state simple trapping model (STM), assuming slight contributions from bound positron–electron (Ps, positronium) states. Positron trapping in g-AsxSe100−x/PVP nanocomposites was modified by an enriched population of Ps-decay sites in PVP. This was proven within a three-state STM, assuming two additive inputs in an overall trapping arising from distinct positron and Ps-related states. Formalism of x3-x2-CDA (coupling decomposition algorithm), describing the conversion of Ps-decay sites into positron traps, was applied to identify volumetric nanostructurization in wet-milled g-As-Se, with respect to dry-milled ones. Under wet nanomilling, the Ps-decay sites stabilized in inter-particle triple junctions filled with PVP replaced positron traps in dry-milled substances, the latter corresponding to multi-atomic vacancies in mostly negative environments of Se atoms. With increased Se content, these traps were agglomerated due to an abundant amount of Se-Se bonds. Three-component lifetime spectra with nanostructurally- and compositionally-tuned Ps-decay inputs and average lifetimes serve as a basis to correctly understand the specific “rainbow” effects observed in the row from pelletized PVP to wet-milled, dry-milled, and unmilled samples.

Direct evaluation of hole effective mass of SnS-SnSe solid solutions with ARPES measurement.

Valence band dispersions of single-crystalline SnS1-xSex solid solutions were observed by angle-resolved photoemission spectroscopy (ARPES). The hole effective masses, crucial factors in determining thermoelectric properties, were directly evaluated. They decrease slightly with increasing Se content in the low Se composition range but sharply in the high Se composition range.

Selenium bioconcentration in Canadian oat (Avena sativa) from soils treated with nanoscale elemental selenium

Development of selenium (Se)-enriched agricultural products can increase human daily dietary Se intake in Se-deficient areas. Canadian oat (Avena sativa L. cv. Saddle) is one of the common cereal grains in the world. Previous studies have shown that Se accumulation in oat can be significantly affected by soil Se, but few have dealt with different chemical forms of Se, including emerging nanoscale elemental Se particles (SeNPs). Because SeNPs have unique chemical and physical properties in comparing with bulk elemental Se, this laboratory study determined the effects of soil SeNP treatments of 0, 1, 5, and 10 mg/kg on Se bioconcentration in oat grain, compared with bulk elemental Se or selenate (Na2SeO4). The results showed that the soil SeNP treatments significantly increased Se concentrations in oat grain with an increase in the treatment level from 1 to 10 mg/kg (P &lt; 0.05). The distribution of Se accumulated in oat tissues followed a descending order of root and grain &gt; husk &gt; stem and leaf. While the grain yield was reduced with the higher soil selenate treatments of 5–10 mg/kg, the soil SeNP treatment of 1–10 mg/kg significantly enhanced the oat grain yield, compared with the control. Concentrations of Se in oat grains in the soil SeNP treatments were approximately 7–20-fold higher than were the concentrations of those in the soil bulk elemental Se treatments, but were about 7–26% of the concentrations in oat grains in the soil selenate treatments. This study demonstrated that nanoscale elemental Se particles could be used for development of soil Se-amended fertilisers for Se-biofortified oat.

Response of Crustacean Zooplankton and Benthic Macroinvertebrate Communities to Selenium Additions in a Boreal Lake.

Selenium (Se) is a contaminant of concern in Canada mainly due to its teratogenic effects on fish and birds. However, few studies have assessed the effects of Se on invertebrates in a field setting. The objective of this experiment was to assess potential community-level impacts of Se additions on zooplankton and benthic macroinvertebrates in a boreal lake ecosystem. From June to August 2018, Se (as selenite) was added to six limnocorrals in Lake 239 at the International Institute for Sustainable Development-Experimental Lakes Area, Northwestern Ontario, Canada, to achieve mean measured aqueous concentrations of 0.4, 0.8, 1.6, 3.4, 5.6 and 7.9 µg Se/L, with three untreated limnocorrals serving as controls (background Se = 0.08-0.09 µg/L). Periphyton, phytoplankton, and invertebrates (zooplankton and benthos) were monitored for 63 days. Zooplankton community composition shifted as a function of Se exposure, with Cladocera biomass and density decreasing with increasing Se concentrations. Similarly, cumulative abundance and biomass of Heptageniidae decreased with increasing Se treatment throughout the experimental period. The present study demonstrated that Se can have impacts on aquatic invertebrates at environmentally relevant exposure levels, and that future ecological risk assessments should consider the impacts of Se on both vertebrates and invertebrates. Environ Toxicol Chem 2022;41:95-107. © 2021 SETAC.

Se-O Bond Is Unique to High Se Enriched Sweet Potato Stem Protein with Better Antioxidant Ability.

Sweet potato plants were treated with selenium (Se). Spraying Se on the sweet potato leaves was an effective Se enrichment method and proteins were extracted from the sweet potato stem. The structural characteristics of the protein were investigated. Fourier transform infrared spectroscopy (FT-IR) detected more signals from the Se-enriched sweet potato stem protein (SSP), and the number of forms of Se chemical bonds gradually increased with increasing Se content, such as the Se-O bond in high Se-enriched SSP, indicating altered secondary structures.Scanning electron microscopy-energy dispersive spectrometry (SEM-EDS) indicated more Se atoms in the Se-enriched SSPs (SSSPs). The DSC results revealed that Se enrichment enhanced the thermal stability of the samples. Moreover, selenomethionine (SeMet), selenocystine (SeCys2), and methylselenocysteine (MeSeCys) were determined to be the main Se forms in the SSSPs. Furthermore, the SSSPs showed relatively higher superoxide anion radical and DPPH radical scavenging activities than the blank, which indicates that SSSPs can be used as antioxidants. By recovering the proteins, the agricultural by-product—sweet potato stem can be further utilized, and the obtained Se-enriched proteins may contribute to human health.

Fabrication of closed-space sublimation Sb2(S1-xSex)3 thin-film based on a single mixed powder source for photovoltaic application

Because of favourable stability, facile fabrication, non-toxicity, tunable bandgap and high extinction coefficient, Sb 2 (S 1-x Se x ) 3 combined the advantages of Sb 2 S 3 and Sb 2 Se 3 have attracted extensive attention. Unlike previous studies using a preformed target or source of a single composition, our study offered a high‐throughput closed-space sublimation method based on a single mixed powder source of Sb 2 S 3 and Sb 2 Se 3 . We fabricated single-phase and highly crystalline Sb 2 (S 1-x Se x ) 3 films with strong (221) orientation, which is beneficial for the rapid transmission of photon-generated carriers. The bandgap of films evolved from 1.79 eV to 1.38 eV that accompany the varying x value of Se content from 0.14 to 0.85. The corresponding solar cells with the structure of FTO/CdS/Sb 2 (S 1-x Se x ) 3 /Au were fabricated, and then the relationship between performance, source temperature and alloy composition were investigated. The open-circuit voltage and short circuit current density showed opposite trends with increased Se content. Finally, the champion device with a PCE of 2.70% was obtained employing Sb 2 (S 0.25 Se 0.75 ) 3 absorber, which had optimal grain orientation, favourable surface morphology. The bandgap is 1.45 eV, which falls into the ideal bandgap in the Shockley–Queisser limit. A low reverse saturation current density (2.35 × 10 −5 mA/cm 2 ) and the relevant diode ideality factor (1.38) were obtained, which implies favourable junction quality. The CSS technique is expected to improve production efficiency and promote Sb 2 (S 1-x Se x ) 3 solar cell commercial applications, worth further optimization.

Influence of arbuscular mycorrhizal fungi on selenium uptake by winter wheat depends on the level of selenate spiked in soil

Selenium (Se) deficiency has been a public health concern for years. Arbuscular mycorrhizal fungi (AMF) play an essential role in improving Se uptake in crops, but related mechanisms still remain unclear. To explore the influence of AMF on uptake of Se in winter wheat, a pot experiment was conducted to inoculate wheat with Funneliformis mosseae (F.m) or not under different levels of selenate in soil. The present results indicated that inoculation of F.m significantly (p < 0.05) increased Se concentration in shoots and roots of wheat under low level of selenate (≤5.0 mg kg−1) treatments, while the contrary pattern was recorded under high level of selenate (15 and 20 mg kg−1) treatments. Moreover, inoculation of F.m significantly increased concentration of available Se in soil by 4.68–34.05%. Under selenate ≤5 mg kg−1 treatments, the expression of TaeSultr1;1 and TaeSultr1;3 in roots of mycorrhizal wheat was significantly up-regulated by 3.06–5.53 and 0.63–5.12 times, while reached saturation under selenate >5 mg kg−1 treatments. In addition, partial least squares path modeling (PLS-PM) showed that inoculation of AMF directly affected the expression of sulfate transporter and that both sulfate transporter and soil Se fractions played a significant positive effect on plant Se content. The present study indicated that AMF on Se concentration in winter wheat depends on the level of selenate spiked in soil and added to our understanding of the functions and applications of AMF on crop Se absorption.

(Invited) Electrochemical Selenium Remediation: Direct Reduction Pathways and System Optimization

Selenium (Se) is a naturally occurring metalloid in the earth's crust that is released through weathering processes. Anthropogenic activities have significantly accelerated geogenic release, increasing Se concentrations in aquatic environments far beyond the ppb levels required for biologic function. Meanwhile, existing biological and physicochemical Se remediation processes are energy-, resource-, and cost-intensive, driving new Se separation processes to consistently meet the WHO and EPA guidelines. Se direct electrochemical reduction (SeDER) is a chemical-free and thermodynamically favorable approach for aquatic Se separation, but evaluating the feasibility of SeDER in application requires a comprehensive understanding of reduction pathways and system-level performance in complex water matrices. This study focuses on the thermodynamic and kinetic performance of SeDER and competing ion behavior in the aquatic environment. Our results indicate that anion structure reorganization hinders process kinetics in electrochemical Se(VI) reduction. However, Se(IV) can be electrochemically separated from the aqueous phase through either a four- or six-electron pathway, with the former generating Se(0) directly attached to the electrode surface and the latter producing Se(-II) that is subsequently converted to Se(0). We demonstrate that raising the solution temperature to 80 C deposits Se(0) in a conductive crystalline form and enables continuous reduction on the electrode surface. We further investigate cathodic and anodic competing ion behavior in both electrochemical pathways. The results suggest that sulfate promotes electrochemical Se(IV) removal efficiency by 11-23%, but nitrate hinders Se(IV) removal (2-11% decrease) by occupying cathodic reaction sites. The anodic competing ions, especially chloride, decrease Se(IV) separation efficiency by generating strong oxidants and disrupting Se(IV) reduction pathways. Eventually, we evaluate a series of metal- and carbon-based electrode materials to ensure enhanced Faradaic efficiency, consistent Se removal, and lower material costs. The results from this study will inform energy-efficient and cost-effective electrochemical approaches for Se remediation in various water and wastewater matrices.

143 Effect of Supplementary Selenium Source on Dairy Cow Performance, Antioxidant Status, and Apparent Absorption and Retention

Abstract The objective of this experiment was to determine how source of selenium (Se) affects dairy cow performance, antioxidant status, and apparent absorption and retention. Multiparous Holstein cows (n = 24; 597 ± 49 kg BW) were blocked by days in milk (161 ± 18) and randomly assigned to receive 0.3 mg/kg of either: 1) organic Se (selenized yeast; ORG; Sel-Plex-Alltech); or, 2) inorganic Se (sodium selenite; INO) premix, top dressed and mixed into a ration daily. After an 11-week adaptation period (blood and milk sampled monthly), cows received an intraruminal dose of Se77 (either Se77 yeast or NaSe77O3) followed by a 4-day period of blood and rumen fluid sampling, and total collection of feces, urine, and milk. Data were analyzed using PROC GLIMMIX in SAS with fixed effects of treatment, time, and their interaction, and random effect of block. Daily DMI (23 ± 0.6 kg), milk yield (35 ± 1.2 kg), plasma glutathione peroxidase (64 ± 4.2 U), and serum Se (0.11 ± 0.003 µg/g) were not different between treatments during the adaptation period. Serum Se77 maximum concentration and area under the curve (AUC) were not different between treatments for 72 hours following infusion, but rumen fluid Se77 AUC was higher (P = 0.02) for ORG cows. Apparent absorption (64 ± 1.3%) and retention (44 ± 1.5%) of the Se77 dose did not differ between treatments. The ORG cows had lower urinary excretion (13 vs. 17 ± 0.6%; P &amp;lt; 0.01), higher milk excretion (6 vs. 2 ± 0.3%; P &amp;lt; 0.01), and similar fecal excretion (36 ± 1.3%; P = 0.9) of Se77 compared to INO cows. These results indicate that ORG Se increased Se content of milk and decreased Se excretion in urine, but did not alter performance, antioxidant status, and apparent absorption and retention of Se in mid-lactation cows.

Anomalous charge density wave state evolution and dome-like superconductivity in CuIr2Te4−x Se x chalcogenides

We report the anomalous charge density wave (CDW) state evolution and dome-like superconductivity in CuIr2Te4−x Se x (0 ⩽ x ⩽ 0.5) series. Room temperature powder x-ray diffraction (XRD) results indicate that CuIr2Te4−x Se x (0 ⩽ x ⩽ 0.5) compounds retain the same structure as the host CuIr2Te4 and the unit cell constants a and c manifest a linear decline with increasing Se content. Magnetization, resistivity and heat capacity results suggest that superconducting transition temperature (T c) exhibits a weak dome-like variation as substituting Te by Se with the maximum T c = 2.83 K for x = 0.1 followed by suppression in T c and simultaneous decrease of the superconducting volume fraction. Unexpectedly, the CDW-like transition (T CDW) is suppressed with lower Se doping (0.025 ⩽ x ⩽ 0.2) but re-emerges at higher doping (0.25 ⩽ x ⩽ 0.5). Meanwhile, the temperature-dependent XRD measurements show that the trigonal structure is stable at 20 K, 100 K and 300 K for the host sample and the doping composition with x = 0.5, thus we propose that the behavior CDW-like transition arises from the disorder effect created by chemical doping and is not related to structural transition. The lower and the upper critical fields of these compounds are also addressed.

Association of maternal prenatal selenium concentration and preterm birth: a multicountry meta-analysis

BackgroundSelenium (Se), an essential trace mineral, has been implicated in preterm birth (PTB). We aimed to determine the association of maternal Se concentrations during pregnancy with PTB risk and gestational...

Asymmetric misfit nanotubes: Chemical affinity outwits the entropy at high-temperature solid-state reactions

Asymmetric two-dimensional (2D) structures (often named Janus), like SeMoS and their nanotubes, have tremendous scope in material chemistry, nanophotonics, and nanoelectronics due to a lack of inversion symmetry and time-reversal symmetry. The synthesis of these structures is fundamentally difficult owing to the entropy-driven randomized distribution of chalcogens. Indeed, no Janus nanotubes were experimentally prepared, so far. Serendipitously, a family of asymmetric misfit layer superstructures (tubes and flakes), including LaX-TaX2 (where X = S/Se), were synthesized by high-temperature chemical vapor transport reaction in which the Se binds exclusively to the Ta atoms and La binds to S atoms rather than the anticipated random distribution. With increasing Se concentration, the LaS-TaX2 misfit structure gradually transformed into a new LaS-TaSe2-TaSe2 superstructure. No misfit structures were found for xSe = 1. These counterintuitive results shed light on the chemical selectivity and stability of misfit compounds and 2D alloys, in general. The lack of inversion symmetry in these asymmetric compounds induces very large local electrical dipoles. The loss of inversion and time-reversal symmetries in the chiral nanotubes offers intriguing physical observations and applications.

Selenium application influenced selenium biofortification and physiological traits in water-deficit common bean plants

Agronomic biofortification with selenium (Se) maybe employed to improve the nutritional value of food crops while increasing the plant’s tolerance to water deficit conditions. Although not essential for plants, Se may increase plant tolerance to water stress by boosting plants’ defence system activity. This study aimed to enrich common bean grains with Se and alleviate water deficit effects on common bean by applying Se to plants growing under greenhouse. Selenium was applied to soil at 0, 0.25, 0.5, 1.0, and 2.0 mg kg–1, under irrigated and water-deficit conditions. Antioxidant enzyme activities (SOD, CAT, and APX), H2O2 content, gas exchange, and SPAD index were assessed in plant leaves, and Se and nutrient concentrations were determined in grains. Results showed that water deficit decreased photosynthetic rate, stomatal conductance, transpiration rate, and increased water use efficiency. Selenium did not influence SPAD index in leaves from pod formation to maturity stage but improved the plant defence system by decreasing H2O2 content. Increasing Se rates increased Se concentration in grains and leaves. At lower Se rates, mainly at 0.25 mg Se kg–1, under water deficit, the activities of SOD, CAT, and APX reached their maximum values, and H2O2 content was minimum without reducing biomass production and nutrients accumulation. The highest Se rate (2 mg kg–1) was detrimental, since it decreased biomass production and the plant defence system under water deficit. Conclusively, soil Se addition enriched common bean plants with Se and showed positive responses against water deficit when applied at lower rates.

Se-induced enhancement of the high-temperature thermoelectric performance of n-type Cu0.008Bi2(Te,Se)3 alloys due to suppressed bipolar conduction

Bipolar conduction in Bi-Te-based alloys is a critical barrier to high conversion efficiency in thermoelectric power generation applications. Herein, we investigate the effect of Te/Se ratio control on bipolar conduction in n-type Cu0.008Bi2(Te,Se)3. Based on the two-band model and Callaway model, we found that electronic and thermal transports of minority carriers (holes) were gradually decreased with an increase in Se content. The high-temperature power factor of Se-rich Cu0.008Bi2Te2.1Se0.9 was higher in value compared to reference Cu0.008Bi2Te2.7Se0.3 due to the weighted mobility ratio increase, and its bipolar thermal conductivity was significantly reduced simultaneously. As a result, a peak figure of merit (zT) of 0.92 was obtained at 440 K in Cu0.008Bi2Te2.1Se0.9.

Investigation of the Substituting Effect of Se on the Physical Properties and Performances of Cd〖Se〗_x 〖Te〗_(1-x)and Zn〖Se〗_x 〖Te〗_(1-x) Materials for Semiconductor Radiation Detectors

The structural and electronic properties of and semiconductor detectors at various concentrations x = 0, 0.25, 0.5, 0.75 and 1 of Selenium (Se) were determined by using the full potential-linearized augmented plane wave (FP-LAPW) based on the density functional theory (DFT). The compositional dependence of such properties was analysed and discussed. The concentration dependence of lattice parameter and bulk modulus show nonlinearity. All the investigated alloys have a direct bandgap (Γ-Γ) which decreasesnonlinearly with increase in Se concentration. On the other hand, Geant4 simulations have been performed for studying the absolute and full-energy peak detection efficiencies and energy resolution at 1.5”×1.5” of these alloys as semiconductor detectors in the 511-1332 keV gamma-ray energy range. Ours findings are in a good agreement with the available theoretical and experimental data. We hope that our results serve as are reference for future theoretical and experimental researches.

Selenium Biofortification of Three Wild Species, Rumex acetosa L., Plantago coronopus L., and Portulaca oleracea L., Grown as Microgreens

Microgreens of wild herbs are a source of healthy compounds. Selenium (Se) biofortification of microgreens could help increase the Se content and thus contribute to Se requirements in humans. We evaluated whether three wild herbs, Rumex acetosa L., Plantago coronopus L., and Portulaca oleracea L., were suitable for biofortification in order to obtain products with high nutraceutical value. In the first experiment, the three species were enriched with Na2SeO4 at 0 and 1.5 mg Se L−1, and the effects of Se on the nutraceutical characteristics of microgreens were evaluated. In the second experiment, using P. oleracea enriched with 0, 1.5, 5, and 10 mg Se L−1, we investigated whether there was a relation between the increasing Se concentrations in the nutrient solution and the Se content in microgreens. The Se added was taken up by roots and accumulated in the aerial part. P. coronopus exhibited the highest ability to accumulate selenium, and the Se-enriched microgreens showed the highest chlorophyll and flavonoid content. The strong correlation between the Se concentration in the growth solution and the Se accumulated in P. oleracea may enable the cultivation of microgreens with the targeted Se content. The resulting Se-biofortified microgreens of wild species could represent a new vegetable product with high nutraceutical value also ensuring a sufficient dietary intake of Se.

Self-intercalated two-dimensional magnetic semiconductor V8(S1-xSex)15

The exploration of two-dimensional (2D) magnets has attracted considerable attention due to their potential applications in spintronic devices over the past few years. Recently, a variety of 2D vanadium-based (V-based) chalcogenides have been demonstrated to own fascinating magnetic properties by both the theoretical predication and experimental realization. However, ternary V-based compounds have rarely been studied. Here, we synthesized three kinds of ultrathin ternary self-intercalated V8(S1-xSex)15 sheets with different Se contents by the atmospheric pressure chemical vapor deposition method. The Se content x is 8.7%, 12.1%, and 19.7%. The Raman spectra indicate that these three kinds of self-intercalated V8(S1-xSex)15 nanosheets with a different Se content own the same crystal structure. All self-intercalated V8(S1-xSex)15 nanosheets exhibit a semiconducting behavior, and the conducting type transits from ambipolar to p-type as the Se content increases. The spin Hall magnetoresistance (SMR) signal can be detected in the Pt/V8(S1-xSex)15 bilayer structure, and SMR signals (amplitudes) gradually weaken with the increasing temperature. These results manifest that self-intercalated V8(S1-xSex)15 own both semiconducting and magnetic characteristics.

Agronomic Biofortification of Significant Cereal Crops with Selenium—A Review

Selenium (Se) is an important micronutrient which is essential for most living organisms and occurs in both organic and inorganic forms in the water system, soils, biomass, and the atmosphere. In addition to being essential for humans and animals, Se is beneficial for plants and is mostly involved in antioxidant activity/response, as well as a growth promoter. Se deficiency in the diet is a global problem, and Se levels in soils generally reflect its presence in food and, thus, availability to humans. Se participates in the antioxidant response mechanisms of the organism, heavy-metal detoxification, and regulation of the reproductive and immune system, as well as ensures the proper function of the thyroid gland. Plants are the main dietary source of Se for humans. Biofortification is a key strategy to increase Se in edible parts of plants. Agronomic biofortification provides an effective route to increase Se content in edible crop products via application of Se-enriched fertilizers to soil or by foliar application. The most common cereals in the human diet are wheat, rice, maize, and barley, making them the most suitable targets for agronomic biofortification. This review focuses on summarizing the most efficient form and method of Se application via agronomic biofortification corroborated by a meta-analysis of the literature reports. In the assessed literature, foliar application showed better results compared to application in soil. The selenate form appears to be the more efficient form of Se for biofortification than selenite in the most common cereals in human diet: wheat, rice, maize, and barley.

Impact of anionic system modification on the desired properties for CuGa(S1−xSex)2 solid solutions

One of promising directions of the modern solar cells’ development is related to the use of the ternary chalcopyrite crystals (CuInS2, CuGaS2 etc.) and their solid solutions as efficient light absorbing layers. Unfortunately, so far there is no systematic research linking chemical composition to useful properties allowing their optimization to increase the efficiency of solar cells. Therefore, we report the results of the detailed theoretical studies of the structural, electronic, and optical properties for the series of CuGa(S1−xSex)2 solid solutions (x = 0, 0.25, 0.5, 0.75, 1) in the framework of the density functional theory. For this purpose, crystal structures are analyzed within the second coordination environment approach. Effects of changes of chemical composition on the crystal structure and physical properties are presented. We found, that an increase of Se concentration leads to the decrease of the band gap, which remains to be direct over all the anion concentrations x. Analysis of the calculated dielectric function showed that substitution of S by Se is accompanied by an increase of the refractive indices na and nc and decrease of the optical birefringence. Then, based on the results of the DFT calculations, we derived formulas that allows for the easy estimation of the values of the lattice constants, band gap and the birefringence coefficient depending only on the concentration of S (and Se). The elastic constants and the Debye temperature were calculated for all considered solid solutions. These findings may be of special importance to design smart chalcopyrite materials with desired properties.