Selenium Substitution Research Articles

An investigation into the implications of partial substitution of selenium with lead on the thermal properties for S60Se40-XPbX Chalcogenide Compound

Abstract This study includes the manufacture of four ternary alloys represented S60Se40-XPbX with weight ratios x = 0, 10, 20, and 30 by the melting point method. The components of each alloy were mixed separately, then placed in quartz ampoules and vacuumed out with a vacuum of roger that 10−4 Torr. The ampule was heated in two stages to avoid sudden dissipation and precipitation of selenium on the inner mass of the quartz tube. The ampoule was gradually heated and kept at 450°C for approximately 4 hours followed by 950°C for 10 hours.at a rate of 10 degrees Celsius, the temperature of the electric furnace was increased, and then the ampoule was subjected to rapid cooling with cold water to reach a state of solidity glass-like. The research aims to investigate the effect of adding lead to selenium on the properties of thermal conductivity and heat flux density. It has been noted that the partial replacement of selenium with lead affected these properties significantly.

Physicochemical properties, structural characterization, and antidiabetic activity of selenylated low molecular weight apple pectin in HFD/STZ-induced type 2 diabetic mice

A novel selenylated low molecular weight apple pectin (Se-LMWAP) was prepared through enzymatic modification combined with selenylation. The physicochemical properties, the structural characterization of Se-LMWAP were evaluated by FT-IR, NMR and SEM. Moreover, the antidiabetic activity and potential mechanism of Se-LMWAP were investigated using high-fat diet (HFD)/streptozotocin (STZ)-induced type 2 diabetic mice. The results revealed that the physicochemical properties of Se-LMWAP were distinctly improved after modifications, and the primary structure was not altered significantly compared to apple pectin and low molecular weight apple pectin. Se-LMWAP had a relative molecular weight of 8.91 × 103 Da (accounted for 61.3 %) and total selenium content of 148.3 ± 2.0 μgselenium/gsample. It consisted of Rha, Ara, Gal, Glc, Xyl and GalA at a molar ratio of 0.093:0.014:0.132:0.020:0.118:0.622, with the selenium substitution occurred at the C-6 position. Se-LMWAP was able to significantly reduce weight loss, hyperglycemia, oxidative stress and liver, kidney and pancreas damage. Additionally, improved glucose tolerance, relieved lipid metabolism disorders, elevated hepatic glycogen content and ameliorated insulin resistance were observed in the Se-LMWAP group. Overall, Se-LMWAP can be used as a promising dietary selenium supplement to exert -antidiabetic effect through modulating hepatic glucose metabolism and liver insulin-signaling transduction and oxidative stress.

Near-Infrared Emissive π-Conjugated Oligomer Nanoparticles for Three- and Four-Photon Deep-Brain Microscopic Imaging Beyond 1700 nm Excitation.

High-resolution visualization of the deep brain is still a challenging and very significant issue. Multiphoton microscopy (MPM) holds great promise for high-spatiotemporal deep-tissue imaging under NIR-III and NIR-IV excitation. However, thus far, their applications have been seriously restricted by the scarcity of efficient organic probes. Herein, we designed and synthesized two donor-acceptor-donor-type conjugated small molecules (TNT and TNS) for in vivo mouse deep-brain imaging with three- and four-photon microscopy under 1700 and 2200 nm excitation. With a selenium (Se) substitution, we synthesized two conjugated small molecules to promote their emission into the deep near-infrared region with high quantum yields of 55% and 20% in THF solvent, respectively, and their water-dispersive nanoparticles have relatively large absorption cross-sections in the 1700 and 2200 nm windows, respectively, with good biosafety. With these superiorities, these organic NPs achieve high-resolution deep-brain imaging via three-photon and four-photon microscopy with excitation at 1700 and 2200 nm windows, and 1620 μm deep in the brain vasculature can be visualized in vivo. This study demonstrates the efficiency of NIR-emissive conjugated small molecules for high-performance MPM imaging in the NIR-III and NIR-IV window and provides a route for the future design of organic MPM probes.

N, S, Se-Codoped dual carbon encapsulation and Se substitution in pyrite-type FeS2 for high-rate and long-life sodium-ion batteries

The use of metal sulfides as anodes in sodium-ion batteries (SIBs) faces significant challenges due to slow reaction kinetics and extensive shuttling of sodium polysulfides (NaPSs). In response, a selenium-substituted iron disulfide encapsulated in a nitrogen-sulfur-selenium-codoped dual carbon framework (Se-FeS2@NSSC) has been engineered for high-performance SIBs. Selenium substitution within the FeS2 lattice improves electrical conductivity, facilitates favorable redox kinetics that reducing the possibility of NaPSs generation. Moreover, the dual NSSC encapsulation promotes Na+/electron transport and efficiently manages volume expansion during electrochemical processes. Strong interfacial interaction (Fe-S-C bonding) between Se-FeS2 and NSSC further suppress NaPSs shuttling, significantly alleviating the cell failure and thus prolonging its lifespan. Consequently, Se-FeS2@NSSC demonstrates a top-notch performance, achieving a notable capacity of 725 mAh g-1 at 0.5 A g-1, unparalleled rate capability (355.1 mAh g-1 at 30 A g-1), and sustained cyclic stability (89.6 % capacity is retained after 1250 cycles). Theoretical analyses underscore the critical role of selenium in diminishing bulk stress–strain energies, lowering energy barriers for Na+ diffusion, and decreasing Gibbs free energy for conversion reactions, thereby markedly bolstering electrochemical kinetics and overall performance of Se-FeS2@NSSC. The insights gleaned from this research foster advancements in developing next-generation anodes with high capacity and durability, representing a promising response to the existing hurdles in SIBs technology.

A mechanistic investigation of non-covalent interactions induced by selenium and alkoxy substitution in the structural and photoelectric properties of non-fused ring electron acceptors

The pivotal role of non-covalent interactions has been increasingly acknowledged by researchers in the intricate design and advancement of non-fused ring electron acceptors (NFREAs). This surge in attention arises from their profound influence on the facilely twisted molecular geometries and critical photoelectric attributes inherent to organic solar cells (OSCs). In this study, various selenium atoms and alkoxy groups were strategically introduced into the well-performing NFREA A4T-16, leading to the creation of molecules denoted as Se-1 to Se-9 and O1 to O9. Utilizing density functional theory (DFT) and time-dependent density functional theory (TD-DFT), a comprehensive analysis of these molecules was conducted, encompassing factors such as intramolecular non-covalent interactions, the fill factor (FF), and the open-circuit voltage (VOC). The electronic structures and photovoltaic characteristics of these molecules underwent a thorough investigation to elucidate the intricate mechanisms governing non-covalent interactions within NFREAs, thereby clarifying their functional significance. The findings disclose that acceptor molecules featuring selenium substitution display notably augmented Se∙∙∙O and S∙∙∙O non-covalent interactions, exceeding the strength observed in their alkoxy-substituted derivatives. This results in the selenium-substituted derivatives boasting superior overall planarity, narrower energy gaps, reduced excitation energies, and broader absorption bandwidths, thereby enhancing their charge transfer characteristics compared to A4T-16. Conversely, the alkoxy-substituted acceptor molecules display higher fill factor (FF) and superior open-circuit voltage (VOC) relative to the selenium-substituted derivatives. Notably, the innermost substitutions at O6, O7, and O9 show the most promising outcomes, potentially indicating optimal power conversion efficiency (PCE).

The selenium substitution of solvent additive enables efficient polymer solar cells with efficiency of 19.4 %

Solvent additives, which are widely used as versatile tools for refining active layer morphology, have been considered as important role in enhancing the power conversion efficiency (PCE) of polymer solar cells (PSCs). Herein, innovative solvent additive 2,5-dibromoselenophene (BrS), is devised and synthesized by substituting the sulfur atom in 2,5-dibromothiophene (BrT) with selenium atom. The facile polarization properties of selenium atoms enable selenophene to participate in intermolecular interactions with oxygen or sulfur atoms. Therefore, incorporating BrS into the blend solution leads to refined intermolecular interactions and molecular packing, and crystallinity, resulting in a refined bulk heterojunction (BHJ) morphology compared to using the solvent additives 1-chloronaphthalene (CN) and BrT. Consequently, the BrS outperform their BrT and CN in improving photon absorption, exciton dissociation, and charge collection properties of PSCs, yielding an enhanced PCE of 18.0 % in PM6:Y6 BHJ devices. Moreover, the BrS solvent additive exhibit general applicability in both non-fullerene small molecules PSCs and all-polymer PSCs. High efficiency of 18.8 %, 19.4 % and 18.1 % are obtained in PM6:L8-BO, D18:L8-BO, and PM6:PY-IT BHJ solar cells, respectively, which is rankable among the paramount performance reported to date. Our results highlight the potential of selenophene-based solvent additives as an observable pathway for nanomorphology of active layer and effective enhancement of PCE in PSCs.

Promotion of Fast and Efficient Singlet Fission Process of PDI Dimers by Selenium Substitution.

Singlet fission (SF) is a triplet generation mechanism capable of turning a singlet exciton into two triplet excitons. It has the potential to enhance the power conversion efficiency of single-junction solar cells. Perylene diimides (PDIs) are a class of dye molecules with photovoltaic properties and are beginning to receive more and more attention due to their potential for SF. Here, we report a selenium-substituted PDI dimer, Se-PDI-II, and we studied its SF mechanism by using steady-state, transient absorption, and time-resolved photoluminescence spectroscopy. Compared with the unsubstituted dimer PDI-II, we found that the introduction of selenium atoms can suppress excimer emission during the SF process, showing much higher SF efficiency and triplet yield.

Thio and Seleno-Psoralens as Efficient Triplet Harvesting Photosensitizers for Photodynamic Therapy.

The Psoralen (Pso) molecule finds extensive applications in photo-chemotherapy, courtesy of its triplet state forming ability. Sulfur and selenium replacement of exocyclic carbonyl oxygen of organic chromophores foster efficient triplet harvesting with near unity triplet quantum yield. These triplet-forming photosensitizers are useful in Photodynamic Therapy (PDT) applications for selective apoptosis of cancer cells. In this work, we have critically assessed the effect of the sulfur and selenium substitution at the exocyclic carbonyl (TPso and SePso, respectively) and endocyclic oxygen positions of Psoralen. It resulted in a significant redshifted absorption spectrum to access the PDT therapeutic window with increased oscillator strength. The reduction in singlet-triplet energy gap and enhancement in the spin-orbit coupling values increase the number of intersystem crossing (ISC) pathways to the triplet manifold, which shortens the ISC lifetime from 10-5 s for Pso to 10-8 s for TPso and 10-9 s for SePso. The intramolecular photo-induced electron transfer process, a competitive pathway to ISC, is also considerably curbed by exocyclic functionalizations. In addition, a maximum of 115 GM of two-photon absorption (2PA) with IR absorption (660-1050 nm) confirms that the Psoralen skeleton can be effectively tweaked via single chalcogen atom replacement to design a suitable PDT photosensitizer.

Selenium substitution for dielectric constant improvement and hole-transfer acceleration in non-fullerene organic solar cells

Dielectric constant of non-fullerene acceptors plays a critical role in organic solar cells in terms of exciton dissociation and charge recombination. Current acceptors feature a dielectric constant of 3-4, correlating to relatively high recombination loss. We demonstrate that selenium substitution on acceptor central core can effectively modify molecule dielectric constant. The corresponding blend film presents faster hole-transfer of ~5 ps compared to the sulfur-based derivative (~10 ps). However, the blends with Se-acceptor also show faster charge recombination after 100 ps upon optical pumping, which is explained by the relatively disordered stacking of the Se-acceptor. Encouragingly, dispersing the Se-acceptor in an optimized organic solar cell system can interrupt the disordered aggregation while still retain high dielectric constant. With the improved dielectric constant and optimized fibril morphology, the ternary device exhibits an obvious reduction of non-radiative recombination to 0.221 eV and high efficiency of 19.0%. This work unveils heteroatom-substitution induced dielectric constant improvement, and the associated exciton dynamics and morphology manipulation, which finally contributes to better material/device design and improved device performance.

Unveiling the Double‐Edged Behavior of Controlled Selenium Substitution in Cobalt Sulfide for Balanced Na‐Storage Capacity and Rate Capability

AbstractTransition metal sulfide‐based anodes usually suffer from huge volumetric change and sluggish reaction kinetics, hindering their application for long‐term and high‐power/energy sodium‐ion batteries. Herein, a new design of CoS2‐xSex (0≤x≤2) nanocrystals with highly controllable selenium substitution and S, Se‐codoped graphene immobilization (CoS2‐xSex@SG) is proposed to tune the reaction kinetics and structural stability. The nanocrystal‐on‐graphene structure and robust C─S &C─Se bonding rivets between CoS2‐xSex and SG greatly improve the structural stability of the CoS2‐xSex@SG. Electrochemical performance, kinetic analysis, and theoretical calculation reveal that Se substitution plays a double‐edged role in sodium storage: the increase of Se substitution content enhances the Na+ diffusion kinetics but decreases the Na‐storage capacity. When the Se substitution content is 0.4, the CoS1.6Se0.4@SG electrode demonstrates the best performance: high initial Coulombic efficiency (95.5%), ultrahigh rate capability (412.8 mAh g−1 at 30 A g−1), and ultra‐stable cycling performance (97.6% capacity retention after 1000 cycles). In situ/ex situ measurements further unveil that the conversion reaction between Co0 and Na2S/Na2Se generates the micro‐scaled CoSe2–CoS2 heterostructure, synergistically improving the Na‐storage active sites and reaction kinetics. This work provides a controllable anion substitution strategy to balance the Na+ storage active sites and kinetics with potential applications for high‐power/energy sodium‐ion batteries.

Matched analysis of circulating selenium with the breast cancer selenotranscriptome: a multicentre prospective study

IntroductionLow serum selenium and altered tumour RNA expression of certain selenoproteins are associated with a poor breast cancer prognosis. Selenoprotein expression stringently depends on selenium availability, hence circulating selenium may interact with tumour selenoprotein expression. However, there is no matched analysis to date.MethodsThis study included 1453 patients with newly diagnosed breast cancer from the multicentric prospective Sweden Cancerome Analysis Network – Breast study. Total serum selenium, selenoprotein P and glutathione peroxidase 3 were analysed at time of diagnosis. Bulk RNA-sequencing was conducted in matched tumour tissues. Fully adjusted Cox regression models with an interaction term were employed to detect dose-dependent interactions of circulating selenium with the associations of tumour selenoprotein mRNA expression and mortality.Results237 deaths were recorded within ~ 9 years follow-up. All three serum selenium biomarkers correlated positively (p < 0.001). All selenoproteins except for GPX6 were expressed in tumour tissues. Single cell RNA-sequencing revealed a heterogeneous expression pattern in the tumour microenvironment. Circulating selenium correlated positively with tumour SELENOW and SELENON expression (p < 0.001). In fully adjusted models, the associations of DIO1, DIO3 and SELENOM with mortality were dose-dependently modified by serum selenium (p < 0.001, p = 0.020, p = 0.038, respectively). With increasing selenium, DIO1 and SELENOM associated with lower, whereas DIO3 expression associated with higher mortality. Association of DIO1 with lower mortality was only apparent in patients with high selenium [above median (70.36 µg/L)], and the HR (95%CI) for one-unit increase in log(FPKM + 1) was 0.70 (0.50–0.98).ConclusionsThis first unbiased analysis of serum selenium with the breast cancer selenotranscriptome identified an effect-modification of selenium on the associations of DIO1, SELENOM, and DIO3 with prognosis. Selenium substitution in patients with DIO1-expressing tumours merits consideration to improve survival.

Controllable phase modulation and electronic structures of monolayer MoSe2xTe2(1−x) alloys grown via molecular beam epitaxy

Controllable phase modulation and electronic structure are essential factors in the study of two-dimensional transition metal dichalcogenides due to their impact on intriguing physical properties and versatile optoelectronic applications. Here, we report the phase-controlled growth of ternary monolayer MoSe2xTe2(1−x) (0 ≤ x ≤ 1) alloys induced through in situ doping and composition tuning via molecular beam epitaxy. Our approach leverages the substitution of selenium for tellurium to lower the energy barrier of the semi-conducting 2H and semi-metallic 1T′ phase transition. The alloys’ lattice constants, Mo-3d binding energy and electronic bandgap were demonstrated to be tunable by varying the selenium composition (x), respectively. First-principles calculations agree well with our experimental results, revealing that the valence band bowing effect of the monolayer alloys is attributed to the difference in coupling between anions and cations. This work provides a new pathway for phase modulation growth and controllable electronic structure of ternary monolayer transition metal dichalcogenide alloys, which is of great significance for ohmic contact and band engineering in developing transistor device applications using two-dimensional semiconductors.

Selenium‐Substitution Asymmetric Acceptor Enables Efficient Binary Organic Solar Cells over 18.3% via Regulating Molecular Stacking and Phase Separation

AbstractSubstantial efforts of A–DA′D–A type non‐fullerene acceptors (NFAs) molecular design have impelled power conversion efficiency (PCE) of single junction organic solar cells (OSCs) to exceed 19%. Asymmetric geometry strategy, selenium‐substitution, and end‐group engineering are proven to be effective modification methods. Here, two novel selenium substitution asymmetric NFAs, AsymSSe‐2F, and AsymSSe‐2Cl, are synthesized to investigate the synergistic modification effects on device performance compared with symmetric Y6. When blending AsymSSe‐2F with the wide‐bandgap and high crystallinity polymer D18, a remarkable PCE of 18.31% is yielded, and an excellent fill factor of 79.46% is achieved, which is attributed to the broadened absorption, enhanced π–π stacking, balanced carrier mobilities, and fine phase‐separation morphology. Notably, among the reported selenium‐substituted asymmetric NFAs based OSCs, especially combined with the seldom‐reported D18, this PCE is top‐ranked in binary bulk heterojunction organic solar cells. This work indicates that the combined modification of asymmetric geometry and selenium substitution in NFAs is a promising strategy for fabricating high performance OSCs.

A-DA′D-A Type Acceptor with a Benzoselenadiazole A′-Unit Enables Efficient Organic Solar Cells

A new A-DA′D-A structured narrow bandgap small molecular acceptor (SMA) Se46 was designed and synthesized by using benzoselenadiazole as the A′ unit and branched 2-butyloctyl as upper side chains in its DA′D central fused ring. It was found that Se46 shows red-shifted absorption compared to that of L8-BO with a benzothiadiazole A′ unit and an up-shifted lowest unoccupied molecular orbital energy level compared to that of Y6 with a benzothiadiazole A′ unit and linear n-C11H23 upper side chains. The organic solar cells (OSCs) based on PM6:Se46 demonstrate a high power conversion efficiency over 18% with an increased short circuit current density compared to that of the L8-BO-based devices and a higher open circuit voltage than that of the Y6-based devices. The results indicate that the synergetic modification of selenium substitution in the A′ unit and branched alkyl upper side chain is an effective strategy to further promote photovoltaic performance for the narrow bandgap A-DA′D-A type acceptors.

Selenium Substitution in Bithiophene Imide Polymer Semiconductors Enables High‐Performance n‐Type Organic Thermoelectric

AbstractDesigning n‐type polymers with high electrical conductivity remains a major challenge for organic thermoelectrics (OTEs). Herein, by devising a novel selenophene‐based electron‐deficient building block, the pronounced advantages of selenium substitution in simultaneously enabling advanced n‐type polymers is demonstrated with high mobility (≈2 orders of magnitude higher versus their sulfur‐based analogues due to both intensified intra‐ and inter‐chain interactions) and much improved n‐doping efficiency (enabled by the largely lowered LUMO level with a ≈0.2 eV margin) of the resulting polymers. Via side chain optimization and donor engineering, the selenium‐substituted polymer, f‐BSeI2TEG‐FT, achieves a highest conductivity of 103.5 S cm−1 and power factor of 70.1 µW m−1 K−2, which are among the highest values reported in literature for n‐type polymers, and f‐BSeI2TEG‐FT greatly outperformed the sulfur‐based analogue polymer by 40% conductivity increase. These results demonstrate that selenium substitution is a very effective strategy for improving n‐type performance and provide important structure‐property correlations for developing high‐performing n‐type OTE materials.

Intrinsic Charge Transport for DTzTI-Based All-Acceptor Homopolymer n-Type Organic Semiconductors: Roles of Conjugation Length and Orbital Delocalization

2,2′-Bithiazolothienyl-4,4′,10,10′-tetracarboxydiimide (DTzTI), a novel imide-functionalized thiazole, is envisioned as a candidate for an excellent building block for constructing all-acceptor homopolymers, and the resulting PDTzTI, which is the polymer of DTzTI, demonstrated unipolar n-type transport with an exceptional electron mobility (μe) of 1.61 cm2 V–1 s–1. Density functional theory (DFT) and the incoherent charge-hopping model at the molecular level are used to design and investigate the model compounds DTzTI and two novel fluorine- or selenium-substituted analogues, DTzTI-2F and DTzTI-4Se, in order to better understand the roles of conjugation length and orbital delocalization for intrinsic charge transport as well as to increase the electron mobility and ambient stability of DTzTI-based polymers. According to the DFT results, increasing the conjugation length (n, number of haploids) of homopolymer molecules could significantly lower the recombination energy, decrease the ELUMO–HOMO, improve the delocalization of the frontier molecular orbitals, and raise the electron’s transfer integral (Ve) between adjacent neighboring homopolymer molecules. This would make it easier to delocalize and transport charge carriers between chains, increasing the electron-transfer efficiency. Additionally, lowering the lowest unoccupied molecular orbital (LUMO) level below −4 eV with the substitution of fluorine or selenium would be very advantageous to ambient stability. 8DTzTI, 8DTzTI-2F, and 8DTzTI-4Se are anticipated to have μe values of 23.87, 19.44, and 29.07 cm2 V–1 s–1, respectively. The performance of all the three analogues is unipolar n-type. The bigger orbital delocalization and larger transfer integral resulting from the face-to-face π–π stacking produce significant electron mobility for DTzTI-4Se, demonstrating that larger delocalization of molecular orbitals will improve intermolecular conjugation and boost charge transport characteristics. A straightforward mathematical model of mobility and conjugation length is discussed, enabling a rapid computation of the theoretical mobilities for specific homopolymers of all-acceptor n-type semiconductor materials. Another method for enhancing the electron mobility and environmental stability of DTzTI-based unipolar n-type polymer semiconductors is selenium substitution.

Substitution effect by selenium and tellurium elements on electronic structures, optical and thermoelectric features of FeS2: DFT + U

The effects of selenium and tellurium substitution on structural, electronic, optical, and thermoelectric properties of FeS2 compound are investigated using the first-principal calculations and Hubbard potential (U). The phonon dispersion of each structure is simulated to examine the feasibility of the synthesis and evaluate the relative stability. FeS2 is an indirect semiconductor with an energy gap of 1.058 eV. The electronic properties can be tuned by substituting sulfur element with chalcogenide. The outcomes suggest that the band gaps are significantly reduced from 1.058 eV to 0.215 eV after substitution. The absorption ability is improved in various wavelength ranges by exceeding 1.10-6 cm−1 for FeTe and FeSTe compounds. Other optical properties such as optical band gap, Urbach energy, and dielectric function in both (xx) and (zz) directions are studied. The thermoelectric features of the studied compounds are strengthened and weakened under the temperature effect. The thermoelectric efficiencies are close to the unity ZT ∼ 1. The findings prove that substituting is an extremely promising technique for expanding the predicted structure applications and boosting their thermoelectric devices.

Intrinsic influence of selenium substitution in thiophene and benzo-2,1,3-thiadiazole on the electronic structure, excited states and photovoltaic performances evaluated using theoretical calculations

The selenium-substituted Y6-type molecule's characteristic parameters and excited state properties were studied using quantum chemistry methods, which provides a theoretical basis for the prediction and screening of efficient NFAs.

Design, synthesis and evaluation of novel Se-alkylated pyrazoles and their cyclized analogs as potential anticancer agents

A simple multicomponent reaction (MCR) was utilized to synthesize a series of 5-alkylated selanyl-1H-pyrazole derivatives 3a-d, 6a-d, and their 4-amino-5-substituted selenolo[2,3-c]pyrazole analogs (4a-d). The methodology is based on the substitution of selenium for the chlorine atom in the chloro pyrazole carbonitrile compound 1via reduction with sodium borohydride in a nitrogen atmosphere, followed by in-situ substitution reactions with various α-halo alkylating agents in the presence of a basic catalyst. The structures of the compounds were confirmed using elemental and spectroscopic techniques (FT-IR, 1H, 13C NMR, and mass spectrometry). The compounds were screened for their anticancer activity which showed promising results and compounds 4c and 6d exhibited the highest cytotoxicity against the HepG2 cell line with pIC50 values of 4.30 and 4.49 respectively, without showing any off-target toxicity. These molecules also, displayed good ADMET features, passed Lipinski's filters, showed good drug-likeness properties, and were predicted to be effective dual EGFR and VEGFR-2 inhibitors, causing downregulation of S100A4 and MMP-9 genes. Together, these results make these molecules as important lead molecules that could be studied further for their anticancer properties.

Se substituted 2D-gC3N4 modified disposable screen-printed carbon electrode substrate: A bifunctional nano-catalyst for electrochemical and absorption study of hazardous fungicide.

The indispensable usage of pesticides for the control and prevention of pests is probable and includes several types based on the problems in the crops. Among them, fungicides, are one problem-solving agent curing fungal developments. the disproportionate use of fungicides will lead to environmental deterioration and several health issues. The assessment of such fungicides is highly motivated to be detected. Under the class of two-dimensional materials, graphitic carbon nitride (GCN) with high surface area and high electrocatalytic activity was chosen as electrode material. The efficiency of GCN was improved with the subsequent substitution of selenium (Se) into the triazine ring as Se-GCN. The structural and surface analysis was done and the layered structure was proved. The electrochemical detection of CBM showed a lower detection limit at 6nM with a linear range 0.099μM-346.9μM while, the absorption studies showed a LOD of 20nM with a linear range of 0.099μM-182.09μM. The orange juice and vegetable extract samples had good recovery with CBM at Se-GCN modified disposable screen-printed electrode. The developed disposable electrode was more sensitive with 6.45μAμM-1cm2 sensitivity and highly reactive with CBM. Moreover, the developed sensor will be more effective in sensing applications to avoid the menace generated by several agents.