High Interaction Research Articles

Light Regulated CoWRKY15 Acts on CoSQS Promoter to Promote Squalene Synthesis in Camellia oleifera Seeds.

Squalene synthase (SQS) is the most direct key enzyme regulating squalene synthesis. To better understand the regulatory mechanisms of squalene biosynthesis, a 1423-bp long promoter region of the CoSQS gene was isolated from Camellia oleifera. Plant CARE and PLACE analysis affirmed the existence of the core promoter elements such as TATA and CAAT boxes and transcription factor binding sites like W-box and MYB in the isolated sequence. Exogenous factors regulating the CoSQS promoter were obtained by using Yeast one-hybrid screening, and the key transcription factor CoWRKY15 was found. AOS (Antibody Optimization System) analysis showed that CoWRKY15 had the highest interactions with a confidence level of 0.9026. Bioinformatics analysis showed that CoWRKY15 belonged to class 2 of the WRKY gene family. The results of subcellular localization showed that CoWRKY15 functioned in the nucleus. The results of CoWRKY15 promoter analysis showed that 8 out of 14 cis-elements with annotatable functions were related to the light response. The region of the CoSQS promoter that interacts with CoWRKY15 is -186 bp~-536 bp. The histochemical assay and squalene content suggested that the CoSQS promoter could drive the expression of GUS gene and specific promotion of CoSQS expression. It was found that CoWRKY15 could act on the -186 bp~-536 bp CoSQS promoter to regulate the expression of CoSQS and the content of squalene in C. oleifera seed kernels.

The Impact of Polydimethylsiloxane as a Herbicide Adjuvant for Weed Control in the Lime Citrus × aurantifolia (Christm.) Swingle Plot

The objective of this research was to evaluate the effect of polydimethylsiloxane (PDMS) CH3[Si(CH3)2O]nSi(CH3)3 as an adjuvant in bioherbicides and synthetic herbicides (chemicals) for weed (Johnson grass S. halepense and star grass Cynodon sp.) management in the lime plot. A total of 20 treatments were conducted, which included bioherbicides and synthetic herbicides, each with three replications, the dose was 50% more polydimethylsiloxane and 100% according to the product label. The experimental design was a randomized block design, with a factorial arrangement with three factors: A (products) with 10 levels, B (adjuvants) with 2 levels and C (evaluation dates) with 5 levels, each block consisted of an area of 5 m by 4 m. The assessment was carried out periodically, every week (5 evaluations), the scale proposed by EWRS was used. The results were in percentages and a 3-factor factor analysis was performed, where A (products) = 10 levels, B (adjuvants) = 2 levels and C (evaluation dates) = 5 levels, and the mean comparison test with Tukey (α ≤ 0.05), using SAS software. According to the results obtained, a significant difference is only presented between factors A (products) and B (adjuvants) (P < .0001). In factor A, the highest levels in weed control were glyphosate, diuron + carfentrazone and ammonium glufosinate with an average of 80.8, 74.0 and 70.8%, respectively. Regarding the interaction between the factors, only the A*B factors were present (P < .0001), only in the glyphosate, BH2 and diuron were the treatments with the highest interaction when using the 50% dose + polydimethylsiloxane as an adjuvant at a dose of 2 ml per 1 L of water with 76.2, 72.93 and 71.33%, respectively. The date when the treatments had the highest weed control effect was at the second and third week. These results underline the effect of polydimethylsiloxane to optimize the use of herbicides, not only in combination with chemical herbicides, but also with bioherbicides, offering an efficient and economic alternative for weed management (Johnson grass S. halepense and star grass Cynodon sp.).

Synthesis, Characterization, Biological Activity, Computational Evaluation and Molecular Docking Simulation of Dimeric Cu(II) Carboxylate Complexes

Copper(II) carboxylate complexes are important in biological fields. In this study, five new dinuclear Cu(II) complexes having the general formulae [Cu2(Cl-PAA)2(DMSO)2] (1), [Cu2(Cl-PAA)2(phen)2] (2), [Cu2(Cl-PAA)2(bipy)2] (3), [Cu2(Cl-PAA)2(py)2] (4), [Cu2(Cl-PAA)2(Cl-Py)2] (5) were synthesized and characterized by FTIR and UV-Vis spectrophotometry. FTIR study supported the monodentate nature of the carboxylate in complexes 2 and 3 while bidentate bridging behavior of carboxylate was observed in complexes 1, 4 and 5. UV-Vis study revealed the presence of d-d transition in visible region, while charge transfer band was observed in ultraviolet region. Antimicrobial activities of complexes 1-5 were studied among which complexes 1, 2 and 4 showed good activities. The results of antioxidant assay demonstrated that free radical scavenging activity by Cu(II) complex containing 1,10-phenanthroline was higher compared to other complexes. All the synthesized complexes were optimized by DFT-D-based DMol3 module in Material Studio. After that, the quantum chemical parameters containing hardness, softness, and electrophilicity were calculated. Based on value of (ω), complex 2 showed the best biological activity that supported experimental studies. All complexes were investigated by molecular docking with cytochrome P450 14 alpha-sterol demethylase (1ea1), the docking findings demonstrated that complex 2 had the highest interaction with cytochrome P450 due to the biggest interaction energy of complex 2 as compared with other complexes. In addition, according to corrosion studies, complex 2 showed highest coating on the iron (110) surface protecting the iron from corrosion due to high adsorption value.

The use of social networks Facebook and Instagram in the digital communication strategy of educational institutions

This paper focuses on the analysis of educational institutions’ communication on social media, with an emphasis on the individual type of content used by these institutions to increase engagement and interaction with current and potential students. The authors examine how educational institutions tailor their communication content on Facebook and Instagram to meet the expectations and needs of their target audience. The analysis includes content evaluation, frequency of posts, user interaction, and integration of multimedia elements. In our research we focused on private school segment from kindergartens, through primary to secondary schools. The paper also presents an analysis of the differences of communication on different platforms (Facebook and Instagram) and their impact on the digital communication strategy of private schools. The results suggest that despite the increasing popularity of Instagram and higher interaction, educational institutions are communicating more on Facebook.

Interpretable machine learning for understanding compositional and testing condition effects on refractive index, density, dielectric constant, and loss tangent of inorganic melts and glasses

Artificial intelligence (AI) and machine learning (ML) have enabled property-targeted design of glasses. Several machine learning models and open-source tools in the literature allow researchers to predict the optical, physical, mechanical, and electrical properties of glasses as a function of their chemical compositions. However, these properties also depend on testing conditions. In this paper, we train machine learning models by considering composition and wavelength, temperature, and frequency to predict the refractive index, density, and the two electrical properties, i.e., dielectric constant and loss tangent of glasses, respectively. The predictions of trained models are explained using SHAP analysis, revealing that testing conditions, such as wavelength and temperature, interact majorly with network formers while predicting refractive index and density. In the case of electrical properties, network formers and frequency have the highest interactions, followed by network modifiers and intermediates, and hence govern predictions of dielectric constant and loss tangent. Overall, AI/ML models that can predict the properties of glasses as a function of their composition and testing conditions, coupled with SHAP plots, provide a practical tool to develop a range of glasses for application under varying conditions.

Efficient adsorption of methyl red, methyl orange and bromothymol blue by polyamine resin: Role of linearity and size of carboxylate in enhanced encapsulation and molecular matching

Dyes constitute the major contribution to the environmental organic pollutants. Besides being hazardous to aquatic life, dyes are highly toxic and injurious to human health. Herein, we disclose the synthesis of a novel hyper cross-linked, dubbed as BPA-PEA, for the adsorptive removal of methyl red (MR), methyl orange (MO) and bromothymol blue (BTB). BPA-PEA displayed maximum adsorption capacities (qmax) for the adsorptive removal of these ionic dyes as 230.6 mg/g, 117.7 mg/g, and 80.42 mg/g for MR, MO and BTB, respectively. Density Functional Theory (DFT) simulations indicate a spontaneous binding process, with binding order closely aligns with the experimentally observed order (MR > MO > BTB). Moreover, the higher interaction in the resin-MR complex was believed due to the linearity and smaller size of the carboxylate group in the MR. Response Surface Methodology (RSM) optimization shows excellent suitability from their statistical parameter as well as low SSE value with the experimental values. The kinetic and isothermal data suggest that the adsorption process followed a chemisorption pathway and adsorption equilibrium was achieved within 2, 6, and 18 h for BTB, MR, and MO, respectively. A significant influence of pH was also observed in the adsorption of MO (5.5), MR (6.1), and BTB (5.3). The BPA-PEA was found to be thermally stable (Td = 348 °C) and mesoporous in nature, having a high surface area (78.3 m2 g−1). The adsorption mechanism is mainly governed by electrostatic interaction between the dyes and adsorbent, however, other adsorptive mechanism such as H-bonding interactions, hydrophobic interactions or π-π interactions were also involved. In addition, the adsorption efficiency of BPA-PEA was maintained for consecutive 5 cycles, with slightly decline (less than 5 mg/g for MR, MO, and BTB) in the adsorption capacity. Given the high adsorption capacity, short adsorption time, and reusability, BPA-PEA can serve as a promising adsorbent for the removal of anionic dyes from wastewater.

4+2]‐Cycloaddition Reactions to Corannulene Accelerated by η6‐Coordination of Ruthenium Complexes

The influence of different (LRu)nII (L = Cp– (n = 1, 2); C6H6) moieties η6‐coordinated to corannulene (CpRu+, (Benzene)Ru2+, and (CpRu)22+ has been explored by using the Activation Strain Model (ASM) of reactivity together with the Energy Decomposition Analysis (EDA) scheme. The results obtained have been compared with those obtained for the non‐coordinated corannulene counterpart. It has been observed that the presence of the ruthenium moiety favors, both kinetically and thermodynamically, the [4+2]‐cycloaddition reaction with cyclopentadiene. The factors governing these differences depend on the nature of the [Ru] complex. Whereas the interaction energy is solely responsible for the lower activation energy for the monocationic system (CpRu+), not only the higher interaction but also the lower strain energy explain the much higher reactivity observed for the dicationic systems ((C6H6)Ru2+ and (CpRu)22+). In this latter case, the Pauli repulsion energy term is the factor controlling the differences in the interaction energies, following the so‐called Pauli repulsion‐lowering concept. Finally, when η6‐coordinating mono‐ or dicationic ruthenium complexes, although although the [4+2]‐cycloaddition reaction in the external rim bonds remains thermodynamically and kinetically more favourable, the cycloaddition becomes also thermodynamically feasible in some internal bonds.

Ultrasonication: An Efficient Alternative for the Physical Modification of Starches, Flours and Grains.

Ultrasonic (USC) treatments have been applied to starches, flours and grains to modify their physicochemical properties and improve their industrial applicability. The extent of the modification caused by USC treatment depends on the treatment conditions and the natural characteristics of the treated matter. Cavitation leads to structural damage and fragmentation and partial depolymerization of starch components. The amorphous regions are more susceptible to being disrupted by ultrasonication, while the crystalline regions require extended USC exposure to be affected. The increased surface area in USC-treated samples has a higher interaction with water, resulting in modification of the swelling power, solubility, apparent viscosity, pasting properties and gel rheological and textural properties. Starch digestibility has been reported to be modified by ultrasonication to different extents depending on the power applied. The most important treatment variables leading to more pronounced modifications in USC treatments are the botanical origin of the treated matter, USC power, time, concentration and temperature. The interaction between these factors also has a significant impact on the damage caused by the treatment. The molecular rearrangement and destruction of starch structures occur simultaneously during the USC treatment and the final properties of the modified matrix will depend on the array of treatment parameters. This review summarizes the known effects of ultrasonic treatments in modifying starches, flours and grains.

Identification of ASMTL-AS1 and LINC02604 lncRNAs as novel biomarkers for diagnosis of colorectal cancer

PurposeColorectal cancer is one of the major leading causes of death worldwide, and available treatments for advanced colorectal cancer are not successful. Therefore, early detection of colorectal cancer is essential to improve patient survival, and biomarkers are potential tools to achieve this goal. Considering the key role of lncRNAs in cancers, the aim of this study is to identify lncRNAs involved in colorectal cancer as new potential prognosis biomarkers for CRC.MethodsIn this observational study, gene expression data obtained from the TCGA database were analyzed, Identification of differentially expressed mRNAs, miRNAs, and lncRNAs was performed, and ceRNA network was drawn. Also, survival analysis of patients was performed in order to identify potential biomarkers related to the diagnosis and prognosis of colon cancer. After confirming the results using the GSE39582 dataset, the expression of target lncRNAs in colorectal tumor tissues was also investigated to confirm the bioinformatic data.ResultsAnalysis of the TCGA data showed that the expression of three lncRNAs—SNHG7, ASMTL-AS1, and LINC02604—that had the highest interaction with other miRNAs and mRNAs identified based on the ceRNA network was increased in colorectal cancer. Also, based on the ceRNA network, three microRNAs, hsa-let-7d-5p, hsa-mir-92a-3p, and hsa-mir-423-5p, and eight mRNAs, including CPA4, MSI2, RRM2, IGF2BP1, ONECUT2, HMGA1, SOX4, and SRM, were associated with all three mentioned lncRNAs, the expression of microRNAs was decreased and the expression of mRNAs was increased. By enrichment analysis, it was found that the target lncRNAs are involved in the processes of cell proliferation, apoptosis, and metastasis, indicating their importance in the development and malignancy of colorectal cancer. Furthermore, Kaplan–Meier analysis showed a significant increase in mortality in patients with higher expression levels of these lncRNAs. Analysis of the GSE39582 dataset, and real-time RT-PCR analysis, confirmed our bioinformatic results. Also, ROC analysis showed that SNHG7 was a relatively good promising biomarker (AUC = 0.73, p value = 0.02), while ASMTL-AS1 (AUC = 0.92, p value < 0.0001) and LINC02604 (AUC = 1.00, p value < 0.0001) emerged as excellent diagnostic biomarkers in colorectal cancer.ConclusionIt seems that increased expression of lncRNAs ASMTL-AS1 and LINC02604 can serve as molecular biomarkers for CRC, possibly through the sponge hsa-let-7d-5p, hsa-mir-92a-3p, and hsa-mir-423 5p, which increases target mRNAs, which are effective in the carcinogenesis process.

Evaluating C18 stationary phases with a positively charged surface for proteomic LC-MS applications using mobile phase acidified with reduced formic acid concentration

We have recently demonstrated the ability of a C18 stationary phase with a positively charged surface (PCS-C18) to provide superior chromatographic separation of peptides using mobile phase acidified with a mere 0.01 % formic acid, significantly improving MS sensitivity. Here, we examined three columns packed with different PCS-C18 phases using the MS-favorable mobile phase acidified with low formic acid concentrations to establish the impact of separation performance and better MS sensitivity on peptide identifications. The surface charge interaction was evaluated using the retention of nitrate. The highest interaction was observed for the AdvanceBio Peptide Plus column. A surface charge-dependent shift in the retention time of peptides was confirmed with a change in formic acid concentration in the mobile phase. The separation performance of the columns with MS-favorable mobile phase acidified with low concentrations of formic acid was evaluated using well-characterized peptides. The loading capacity was assessed using a basic peptide with three lysine residues. Good chromatographic peak shapes and high loading capacity were observed for the Acquity Premier CSH C18 column, even when using a mobile phase acidified with 0.01 % formic acid. The extent of improvement in peptide identification when using reduced formic acid concentration was evaluated by analyzing the tryptic digest of trastuzumab and tryptic digest of whole bacteria cell lysate. Each column provided improved MS signal intensity and peptide identification when using the mobile phase with 0.01 % formic acid. The ability of the Acquity Premier CSH C18 column to provide better separation of peptides, even with a reduced formic acid concentration in the mobile phase, boosted MS signal intensity by 65 % and increased the number of identified peptides from the bacterial sample by 19 %. Our study confirms that significant improvement in the proteomic outputs can be achieved without additional costs only by tailoring the chemistry of the stationary phase to the composition of the mobile phase. Our results can help researchers understand the retention mechanism of peptides on the PCS-C18 stationary phases using low-ionic strength mobile phases and, more importantly, select the best-suited stationary phases for their LC-MS proteomic applications.

In silico analysis of genes and molecular pathways involved in the pathogenesis of follicular lymphoma

Background: Follicular lymphoma (FL) is a common form of non-Hodgkin lymphoma, characterized by abnormal B-cell growth within the germinal center. Research has shown the role of genes and molecular pathways in the pathogenesis of FL. However, the main factor of pathogenesis has not been determined. Therefore, in this study, the genes and molecular pathways related to the pathogenesis of FL were evaluated using a systems biology approach. Materials and Methods: In this study (bioinformatics analysis), the GSE32018 database was used for data analysis. This database was extracted from Gene Expression Omnibus (GEO). The sample of this database was 36, which included normal and FL samples. For this purpose, 23 cases were FL and 13 were healthy samples. Protein-protein interaction (PPI) is performed to show the interaction between DEGs. STRING software is used for this purpose. Associations between the hub genes, transcription factors, and microRNAs were assessed using the miRTarBase and TRRUST databases. The criteria used for data analysis included log fold change greater than one and p &lt; 0.05. Results: After evaluating and analyzing the data, the results showed that 866 DEGs were identified between the control and FL samples. Of this population, 231 cases of UP regulation and 635 cases of downregulation were in FL samples compared to control samples. PPI network and hub gene analyses identified 7 hub genes, including RPL37A, MRPS7, RPS14, RPS28, RPL34, RPS20, and RPS3. According to the results, hsa-miR-191-5p has the highest interactions with hub genes among miRNAs, and KDM5A has the most interactions among TFs. Conclusion: Identifying genes and molecular pathways can be effective in designing therapeutic strategies and preventing the proliferation of FL cells, thereby increasing patients’ survival.

BMAL1 and CLOCK proteins exhibit differential association with mitochondrial dynamics, protein synthesis pathways and muscle strength in human muscle.

Murine models lacking CLOCK/BMAL1 proteins in skeletal muscle (SkM) present muscle deterioration and mitochondria abnormalities. It is unclear whether humans with lower levels of these proteins in the SkM have similar alterations. Here we evaluated the association between BMAL1 and CLOCK protein mass with mitochondrial dynamics parameters and molecular and functional SkM quality markers in males. SkM biopsies were taken from the vastus lateralis of 16 male (non-athletes, non-obese and non-diabetic) subjects (8-9 a.m.). The morphology of mitochondria and their interaction with the sarcoplasmic reticulum (mitochondria-SR) were determined using transmission electron microscopy images. Additionally, protein abundance of the OXPHOS complex, mitochondria fusion/fission regulators, mitophagy and signalling proteins related to muscle protein synthesis were measured. To evaluate the quality of SkM, the cross-sectional area and maximal SkM strength were also measured. The results showed that BMAL1 protein mass was positively associated with mitochondria-SR distance, mitochondria size, mitochondria cristae density and mTOR protein mass. On the other hand, CLOCK protein mass was negatively associated with mitochondria-SR interaction, but positively associated with mitochondria complex III, OPA1 and DRP1 protein mass. Furthermore, CLOCK protein mass was positively associated with the protein synthesis signalling pathway (total mTOR, AKT and P70S6K protein mass) and SkM strength. These findings suggest that the BMAL1 and CLOCK proteins play different roles in regulating mitochondrial dynamics and SkM function in males, and that modulation of these proteins could be a potential therapeutic target for treating muscle diseases. KEY POINTS: In murine models, reductions in BMAL1 and CLOCK proteins lead to changes in mitochondria biology and a decline in muscle function. However, this association has not been explored in humans. We found that in human skeletal muscle, a decrease in BMAL1 protein mass is linked to smaller intermyofibrillar mitochondria, lower mitochondria cristae density, higher interaction between mitochondria and sarcoplasmic reticulum, and reduced mTOR protein mass. Additionally, we found that a decrease in CLOCK protein mass is associated with a higher interaction between mitochondria and sarcoplasmic reticulum, lower protein mass of OPA1 and DRP1, which regulates mitochondria fusion and fission, lower protein synthesis signalling pathway (mTOR, AKT and P70S6K protein mass), and decreased skeletal muscle strength. According to our findings in humans, which are supported by previous studies in animals, the mitochondrial dynamics and skeletal muscle function could be regulated differently by BMAL1 and CLOCK proteins. As a result, targeting the modulation of these proteins could be a potential therapeutic approach for treating muscle diseases and metabolic disorders related to muscle.

Non-sealed water hastens the efficiency of microbial electrochemical remediation system

Soil petroleum hydrocarbon contamination has become a global problem and microbial remediation is a friendly technology. The scarcity of electron acceptors and the low activity of functional microbes are limiting factors which are overcome by the soil microbial electrochemical system (MES). Using the petroleum hydrocarbon polluted soils as substrates, soil MESs were constructed with four different water-sealed levels to optimize the system configuration. After 65 days of operation, the accumulated charge of the group with the lowest water level (MES0) was 1282 C, while that of the highest water level group (MES5) was only 151 C. Compared with the original soil (OS), the hydrocarbon removal near the anode and cathode in MES0 were 28%–30%, which were 4%–11% higher than those in MES5. Additionally, the co-occurrence networks analysis revealed dominance in positive than negative links among bacterial, fungal, and archaeal communities in MES0 compared to MES5 and OS. In MES0 bacteria were more densely populated and connected into more closely related groups with higher interactions than those in MES5 as well as in OS. Contrary to bacteria, MES5 favored the growth and connections of fungal and archaeal communities compared to those in MES0. The above changes were ascribed to the dissolved oxygen, redox potential, and reduction of resistance, which shifted the electron acceptors hence contributing to the process of electrons and substrates transfer in soil, suggesting that bacteria synergistically cooperated with fungi, and archaea in the removal mechanisms of hydrocarbons in the MES. Our findings revealed the optimization of low water seal on the MES performance by providing a detailed overview of the synergistic behavioral characteristics of bacterial, fungal, and archaeal in soil MESs.

Improvement in organization of Cu–O coordination and super-electrons in Bi-2212 ceramic matrix with Ag/Sr partial substitution

This study rationalizes the reason for an increase in the electrical conductivity, crystal quality, surface morphology, and superconductive transition temperatures for Bi-2212 superconductors via scientific facts and discussions depending on replacing the optimum Ag/Sr sites in the system for the first time. Every experimental result and related calculations indicate the successful replacement of monovalent Ag+ ions for the divalent Sr2+ ions in the polycrystalline Bi-2212 structure. Moreover, it is observed that the bulk Bi-2212 ceramic prepared with a partial substitution level of x = 0.01 is observed to possess the highest electrical conductivity and superconductive transition temperatures of 84.68 K and 86.26 K for the Tcoffset\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$T_{c}^{offset}$$\\end{document} and Tconset\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$T_{c}^{onset}$$\\end{document}, respectively. Besides, in the case of the optimum replacement level, the Bi-2212 ceramic exhibits the most uniform and smoothest surface appearance, highest interactions between the grains, best microcrystal distributions/orientations, and largest average crystalline distribution along the crystal structure. In this regard, this study becomes a leader in broadening the application spectra including the heavy-industrial technologies, innovative, advanced engineering-related sectors, and large-scale application fields for Bi-2212 superconducting ceramics.

Exploring gene regulatory interaction networks and predicting therapeutic molecules for hypopharyngeal cancer and EGFR-mutated lung adenocarcinoma.

Hypopharyngeal cancer is a disease that is associated with EGFR-mutated lung adenocarcinoma. Here we utilized a bioinformatics approach to identify genetic commonalities between these two diseases. To this end, we examined microarray datasets from GEO (Gene Expression Omnibus) to identify differentially expressed genes, common genes, and hub genes between the selected two diseases. Our analyses identified potential therapeutic molecules for the selected diseases based on 10 hub genes with the highest interactions according to the degree topology method and the maximum clique centrality (MCC). These therapeutic molecules may have the potential for simultaneous treatment of these diseases.

Charge transfer dynamics in graphene quantum dot-porphyrin derivative nanohybrids appraised via experimental and theoretical calculations

This article is designed to unveil the electronic and spectroscopic property changes of electron withdrawing/releasing group substituted porphyrins, in porphyrin-graphene quantum dot nanohybrids via experimental and computational calculations. Herein, amino, methyl, fluoro & nitro derivatives of meso substituted Tetraphenylporphyrin referred as TAPP, TMPP, TFPP & TNPP respectively, are synthesized from the corresponding benzaldehydes. Charge transfer dynamics of their nanohybrid systems with graphene quantum dots are investigated by electronic spectroscopy, steady state fluorescence and lifetime decay analysis. Negative Gibb's free energy change and dynamic quenching constants stipulate a photoinduced electron transfer with dynamic quenching mechanism within the nanohybrids under scrutiny. Further the computational calculations with the aid of optimized geometries, scatter plots and energy decomposition analysis reflect the same experimental observations. Both experimental and computational studies show that the electron withdrawing group substituted porphyrins have higher interaction with GQD than the electron releasing group substituted porphyrins.

YIELD STABILITY OF PURPLE CORN HYBRIDS (Zea mays L.) IN SOUTHERN SONORA, MEXICO

Corn (Zea mays L.) production in Mexico is in deficit despite generating 27 million Mg. In southern Sonora, the planted area has grown significantly over the last four years, from 544 to 680 thousand Mg produced in 2018 and 2021, respectively. Ninety-seven percent of the production corresponds to improved white-colored maize from transnational companies; however, there are no commercial plantings of colored maize. The objective of this research was to estimate grain yield and its agronomic components in improved purple corn hybrids in southern Sonora, Mexico, over three years using the additive main effects and multiplicative interaction method (AMMI). A randomized, complete-block experimental design with three replications was used. The plots were two 4 m long furrows with a stocking density of 100 000 plants ha-1. The variables recorded were: grain yield (RG), thousand-kernel weight (PMG), ear length (LM), grains per row (GH), rows per ear (HM), and hectoliter weight (PH). The results showed statistical differences among years, hybrids, and their interaction (AxH) in all variables. The AMMI model was highly effective, allowing the identification of hybrids 1, 2, 7, and 10 with greater stability in the year 2021 associated with RG, PH, and LM, obtaining outstanding averages in all variables and being more appropriate for the climatic conditions of southern Sonora. On the contrary, the most sensitive hybrid with the highest interaction was 4, associated with GH and HM; hybrids 3, 5, 6, 8, 9, 11, and 12 were stable with negative values in 2019 and 2020.

Responses Toward Structural, Electrical, Optical, and Mechanical Properties of RbGeF3 Under Pressure: DFT Insights

AbstractDensity functional theory is used in the current study to thoroughly examine the physical properties of perovskites made of halide RbGeF3 under a variety of hydrostatic pressure ranges between 0 and 50 GPa. This research seeks to reduce the electronic bandgap of RbGeF3 under pressure to enhance the optical properties and evaluate the compounds' decency for usage in optoelectronic and electrical uses. The precision of the structural characteristics is relatively high, and they fit well with published earlier research. A higher interaction between atoms is also a result of the large drop in lattice characteristics and link length. Pressurization reveals the ionic and covalent characteristics of the bonds between Rb‐F and Ge‐F, respectively. Both the conductivity and the optical absorbance vary noticeably when hydrostatic pressure is applied. A zero bandgap finally arises via pressure‐induced bandgap shrinkage, improving conductivity and electromagnetic absorption. Based on their optical properties, the materials being studied could be used in a variety of visible and ultraviolet optoelectronic devices. External pressure increases the anisotropy and ductility of the aforementioned perovskites, hence influencing their mechanical behavior. This study describes the changes in physical characteristics brought on by applied stress and offers a thorough examination of those changes.

Ethylene Scavenging Films Based on Ecofriendly Plastic Materials and Nano-TiO2: Preparation, Characterization, and In Vivo Evaluation.

It is known that ethylene plays an important role in the quality characteristics of fruits, especially in storage. To avoid the deterioration of fruits caused by ethylene, titanium dioxide (TiO2) has been used due to its photocatalytic capacity. The aim of this study was to develop films based on two types of biopolymers, Mater-Bi (MB) and poly-lactic acid (PLA), with nanoparticles of TiO2 and to determine their ethylene removal capacity and its application in bananas. First, the films were fabricated through an extrusion process with two different concentrations of TiO2 (5 and 10% w/w). Then, the films were characterized by their structural (FTIR), morphological (SEM), thermal (DSC and TGA), dynamic (DMA), barrier, and mechanical properties. The ethylene removal capacities of the samples were determined via gas chromatography and an in vivo study was also conducted with bananas for 10 days of storage. Regarding the characterization of the films, it was possible to determine that there was a higher interaction between PLA with nano-TiO2 than MB; moreover, TiO2 does not agglomerate and has a larger contact surface in PLA films. Because of this, a higher ethylene removal was also shown by PLA, especially with 5% TiO2. The in vivo study also showed that the 5% TiO2 films maintained their quality characteristics during the days in storage. For these reasons, it is possible to conclude that the films have the capacity to remove ethylene. Therefore, the development of TiO2 films is an excellent alternative for the preservation of fresh fruits.

An FFT based approach to account for elastic interactions in OkMC: Application to dislocation loops in iron

Object kinetic Monte Carlo (OkMC) is a fundamental tool for modeling defect evolution in volumes and times far beyond atomistic models. The elastic interaction between defects is classically considered using a dipolar approximation but this approach is limited to simple cases and can be inaccurate for large and close interacting defects. In this work a novel framework is proposed to include exact elastic interactions between defects in OkMC valid for any type of defect and anisotropic media. In this method, the elastic interaction energy of a defect is computed by volume integration of its elastic strain multiplied by the stress created by all the other defects, being both fields obtained numerically using a FFT solver. The resulting interaction energies reproduce analytical elastic solutions and show the limited accuracy of dipole approaches for close and large defects.The OkMC framework proposed is used to simulate the evolution in space and time of self-interstitial atoms and dislocation loops in iron. It is found that including the anisotropy has a quantitative effect in the evolution of all the type of defects studied. Regarding dislocation loops, it is observed that using the exact interaction energy results in higher interactions than using the dipole approximation for close loops.