Moving toward sustainable goals 7 and 13: An inclusive mechanism to achieve environmental sustainability through digitalization and energy transition in OECD countries.

In line with Sustainable Development Goals (SDGs) 7 and 13, this study proposes a policy framework while considering digitalization as a critical tool in shaping the energy transition process to attain environmental suitability in OECD countries. The study employed multifaceted empirical techniques, including Method of Moment Quantile Regression (MMQR), Fully Modified Ordinary Least Squares (FMOLS), and Dumitrescu and Hurlin (D-H), augmented with robustness tests over the period 2000 to 2021. The results indicate that digitalization augments energy transition and green finance to attain environmental sustainability. However, moving toward higher quantiles (4th, 6th, and 8th), the total impact of energy transition and digitalization is diminished. Besides that, a bidirectional causal relationship was reported running from green finance and digitalization to greenhouse gas (GHG) emissions. This study offers a detailed policy framework while considering SDGs 7 and 13.

Carbohydrate-based block copolymers with sub-10 nm face-centered cubic nanostructures for low-power-consuming and ultraviolet light-triggered synaptic phototransistors.

Addressing environmental concerns and producing sustainable and environmentally friendly electronic devices with low power consumption poses a significant challenge. This study introduces phototransistor devices employing morphologically controlled block copolymers based on maltotriose, maltoheptaose, and ß-cyclodextrin as polymer electrets. Ordered self-assembled morphologies can be achieved by utilizing microwave radiation for rapid annealing (within 5 s) with optimized annealing conditions. Herein, face-centered cubic (FCC), vertical, and mixed cylindrical nanostructures are reported. The resulting well-defined morphologies play a pivotal role in enhancing the electron-trapping capability of the block copolymers and facilitating charge carrier transport between the electret and semiconducting layers. Consequently, the phototransistor memory manifests exceptional performance, featuring stability and endurance. Intriguingly, the cavity of ß-cyclodextrin provides a stable environment for the trapped charges, leading to a larger memory window than other block copolymers. On the other hand, a device consisting of MT-b-PS exhibited superior current contrast exceeding 106 even under a low drain voltage of -1 V, attributed to sub-10 nm FCC nanostructures. Furthermore, this phototransistor device successfully emulated the synaptic functions of sensing, learning, and short- and long-term memory in the human brain, along with a low energy consumption of 0.312 fJ. Hence, this report opens the pathways for developing promising bio-based electronic devices.

Impact of CeO2 modified cathode and PANI modified anode on tannery wastewater fed microbial fuel cell performance.

Microbial fuel cell (MFC) technology is getting acceptance as an emphatic, sustainable and energy efficient alternative of conventional wastewater treatment strategies. MFCs utilize exoelectrogens as biocatalysts to degrade the complex organic substances present in wastewater with simultaneous power generation. The present study was aimed at investigating the impact of MFC electrode's modification with CeO2 nanoparticles and polyaniline (PANI) on its performance characteristics. The hydrothermal approach was employed for the synthesis of CeO2 nanoparticles followed by their deposition on carbon cloth (CC) as MFC cathode, whereas MFC's anode i.e., CF/NF was modified by in-situe deposition of PANI. The synthesized material was characterized with FTIR, XRD, SEM, EDX and BET analysis. The experiments were performed using dual chambered MFC fed with leather tannery wastewater using modified and unmodified electrodes. The highest outcomes of power density and corresponding current density were observed with PANI@NF composite anode and CeO2@CC as cathode i.e., 279.3 mW/m2 corresponding to the current density of 581.8 mA/m2. The same MFC electrode configuration resulted in highest COD reduction, i.e., 80 % and coulombic efficiency of 19.86 %. On the other hand, MFC equipped with PANI@CF anode and CeO2@CC cathode also displayed comparable results. It was ascertained that modification of NF/CF anode with PANI (conductive polymer) and CC cathode with CeO2 nanoparticles have significantly improved the overall MFC operational performance regarding tannery wastewater treatment and bioelectricity generation.

Unlocking the potential of biofilm-forming plant growth-promoting rhizobacteria for growth and yield enhancement in wheat (Triticum aestivum L.).

Plant growth-promoting rhizobacteria (PGPR) boost crop yields and reduce environmental pressures through biofilm formation in natural climates. Recently, biofilm-based root colonization by these microorganisms has emerged as a promising strategy for agricultural enhancement. The current work aims to characterize biofilm-forming rhizobacteria for wheat growth and yield enhancement. For this, native rhizobacteria were isolated from the wheat rhizosphere and ten isolates were characterized for plant growth promoting traits and biofilm production under axenic conditions. Among these ten isolates, five were identified as potential biofilm-producing PGPR based on in vitro assays for plant growth-promoting traits. These were further evaluated under controlled and field conditions for their impact on wheat growth and yield attributes. Surface-enhanced Raman spectroscopy analysis further indicated that the biochemical composition of the biofilm produced by the selected bacterial strains includes proteins, carbohydrates, lipids, amino acids, and nucleic acids (DNA/RNA). Inoculated plants in growth chamber resulted in larger roots, shoots, and increase in fresh biomass than controls. Similarly, significant increases in plant height (13.3, 16.7%), grain yield (29.6, 17.5%), number of tillers (18.7, 34.8%), nitrogen content (58.8, 48.1%), and phosphorus content (63.0, 51.0%) in grains were observed in both pot and field trials, respectively. The two most promising biofilm-producing isolates were identified through 16 s rRNA partial gene sequencing as Brucella sp. (BF10), Lysinibacillus macroides (BF15). Moreover, leaf pigmentation and relative water contents were significantly increased in all treated plants. Taken together, our results revealed that biofilm forming PGPR can boost crop productivity by enhancing growth and physiological responses and thus aid in sustainable agriculture.

An analysis of E-governance in Pakistan from the lens of the Chinese governance model.

In this era of digitalization, the role of information and communication technology (ICT) has significantly increased. The integration of ICT into the government system has improved efficiency and working processes. Some countries such as China have successfully integrated ICT into their governance system. However, many other countries especially the developing world are yet to effectively utilize the role of ICT in their governance structure and these countries are struggling to produce a better governance system. It is, therefore, imperative for the developing world to learn from successful nations and devise their governance systems so that ICT can be fully utilized and produce good governance. However, such comparative analyses are not done as such to bring strengths and weaknesses in the integration of ICT into the governance system especially in developing countries' governance systems. This study contributes by conducting a comparative study on the China-Pakistan e-government progress. China has widely implemented e-government, which has helped the country to ensure good governance. Pakistan, on the other hand, is also moving towards digitalization and making efforts to implement e-government. This research examines the United Nations' E-Government Development Index (EGDI) reports and rankings. The findings of our research show that China has significantly improved its ranking, whereas Pakistan's ranking has indicated a gradual decline except for the year 2008. This happened because of a lack of investment in infrastructure, scarcity of financial resources, weak institutional capabilities, and limited access to advanced technologies. Moreover, there is a big gap between public policy and public implementation in Pakistani scenarios. However, it has been dug out in this study that employing the Chinese model and seeking cooperation with China can improve e-governance ranking and overall governance in Pakistan. The study advances the understanding of e-governance and its challenges in Pakistan and the findings of the study will assist researchers, policymakers, and officials in the implementation and development of e-projects in Pakistan.

What factors cause ocean CO2? A panel data analysis.

Over the past three decades, industrial innovations and technological advancements have changed business dynamics, adversely devastating the overall environment. As a result, our oceans have been severely affected due to climate change and global warming. To address this issue, this study investigates the factors that cause ocean CO2 using a sample of 44 countries over 2012-2021 and explores a dynamic and causal relationship between economic growth, ocean carbon dioxide emissions, energy consumption, and control variables relating to the ocean industry. This study finds that increasing economic activity tends to increase ocean carbon emissions. The results support the evidence of the environmental Kuznets curve (EKC) hypothesis suggesting an inverted U-shaped association between ocean emissions and real income for the sample countries. Moreover, this study reports that ocean health index, maritime container transport, trade of fishery and ocean species, aquaculture production and marine species, and employment rate in the fishery processing sector are the significant factors of ocean CO2. Region-wise analyses suggest that real income positively influences ocean emissions and confirm the evidence of the EKC hypothesis in European sample countries but these relationships have an insignificant effect in Asia and the Pacific and the American regions. Furthermore, a short-run unidirectional panel causality flows from the production of aquaculture and other species to RD&D, from OHI and GDP to trade of fishery and other species, and from OHI to employment rate in the fishery sector. Likewise, bidirectional causality runs from energy consumption and maritime transport to ocean CO2 in the long term. Regarding the long-run causal association, the results determine that all of the estimated coefficients of the lagged error correction terms are statistically significant which explains that they are crucial in the adjustment process as they deviate from the long-run equilibrium.

Mineral Solubilizing Rhizobacterial Strains Mediated Biostimulation of Rhodes Grass Seedlings.

Minerals play a dynamic role in plant growth and development. However, most of these mineral nutrients are unavailable to plants due to their presence in fixed forms, which causes significant losses in crop production. An effective strategy to overcome this challenge is using mineral solubilizing bacteria, which can convert insoluble forms of minerals into soluble ones that plants can quickly assimilate, thus enhancing their availability in nutrient-depleted soils. The main objective of the present study was to isolate and characterize mineral solubilizing rhizobacteria and to assess their plant growth-promoting potential for Rhodes grass. Twenty-five rhizobacterial strains were isolated on a nutrient agar medium. They were characterized for solubilization of insoluble minerals (phosphate, potassium, zinc, and manganese), indole acetic acid production, enzymatic activities, and various morphological traits. The selected strains were also evaluated for their potential to promote the growth of Rhodes grass seedlings. Among tested strains, eight strains demonstrated strong qualitative and quantitative solubilization of insoluble phosphate. Strain MS2 reported the highest phosphate solubilization index, phosphate solubilization efficiency, available phosphorus concentration, and reduction in medium pH. Among tested strains, 75% were positive for zinc and manganese solubilization, and 37.5% were positive for potassium solubilization. Strain MS2 demonstrated the highest quantitative manganese solubilization, while strains MS7 and SM4 reported the highest solubilization of zinc and potassium through acidifying their respective media. The strain SM4 demonstrated the most increased IAA production in the presence and absence of L-tryptophan. The majority of strains were positive for various enzymes, including urease, catalase protease, and amylase activities. However, these strains were negative for coagulase activity except strains SM7 and MS7. Based on 16S rRNA gene sequencing, six strains, namely, SM2, SM4, SM5, MS1, MS2, and MS4, were identified as Bacillus cereus, while strains SM7 and MS7 were identified as Staphylococcus saprophyticus and Staphylococcus haemolyticus. These strains significantly improved growth attributes of Rhodes grass, such as root length, shoot length, and root and shoot fresh and dry biomasses compared to the uninoculated control group. The present study highlights the significance of mineral solubilizing and enzyme-producing rhizobacterial strains as potential bioinoculants to enhance Rhodes grass growth under mineral-deficient conditions sustainably.

Predictive ability of physiochemical properties of benzene derivatives using Ve-degree of end vertices-based entropy.

Topological indices relate chemical structure to chemical reactivity, physical properties, and biological activity. Quantitative structure-activity relationships (QSPR) are mathematical models proposed for the correlation of various types of chemical reactivity, biological activity, and physical properties with topological indices/entropies. In this article, we have proposed the QSPR between the ve-degree of end vertices of edge based entropies and the physiochemical properties of benzene derivatives. We have designed a Maple-based algorithm for the computation of entropies. The relationship was analyzed using SPSS. We have shown that the physiochemical properties such as critical pressure, Henry's law, critical temperature, Gibb's energy, logP, critical volume, and molar refractivity can be predicted by entropies. All the results were highly positive and significant. The Randic, Balaban, and redefined third Zagreb entropies showed the best relations with physiochemical properties.Communicated by Ramaswamy H. Sarma.

Microalbuminuria as the Tip of Iceberg in Type 2 Diabetes Mellitus: Prevalence, Risk Factors, and Associated Diabetic Complications.

Background Microalbuminuria (MA) is an important clinical marker for the early detection of kidney damage in patients with type 2 diabetes (T2DM). Urine albumin-to-creatinine ratio (ACR), also known as urine microalbumin, is a sign of diabetic nephropathy (DN), which is a prevalent complication of diabetes and can result in end-stage renal disease (ESRD) if not managed. The prevalence of MA in T2DM has been steadily increasing worldwide, making it a significant public health concern. The goal of this study was to estimate the prevalence of MA and its relationship to hypertension and other diabetic complications among people with T2DM. Methodology This descriptive cross-sectional study was conducted from February 5, 2022, to February 10, 2023, to analyse data from T2DM patients who visited the outpatient diabetic clinic of Sheikh Zayed Medical College and Hospital, Rahim Yar Khan, Pakistan. This study included a total of 640 patients, aged 35-60 years, who had been diagnosed with T2DM for at least five years and fulfilled the inclusion criteria. Data on demographic and clinical characteristics, blood pressure (BP) measurements, and laboratory investigations were collected. MA was assessed based on the ACR in a spot urine sample of more than 30 mg/l. Blood pressure greater than 140/90 or already taking anti-hypertensives was taken to constitute hypertension. Factors associated with MA like hypertension, gender, mode of diabetes treatment, duration of diabetes, glycosylated haemoglobin (HbA1c), dyslipidemia, and other diabetic complications such as retinopathy and neuropathy were also recorded. Results The prevalence of MA in this study of T2DM patients study was 39.1%. The mean age of the participants with MA was 53.9 with a standard deviation (SD) of 6.1 years, and the mean duration of diabetes was 10.1 years (SD 6.2 years); 101 (33.4%) males (n=302) and 103 (30.5%) females (n=338) had MA.  There was a statistically significant correlation between MA > 30mg/d and hypertension (p = <0.001), diabetes duration since diagnosis (p=0.04), HbA1C level (p = <0.001), dyslipidemia (p=0.001), therapy type (p = <0.001), triglyceridemia (p = 0.03), history of diabetes retinopathy (p= <0.002), and peripheral neuropathy (p= <0.001). However, there was no statistically significant correlation between MA and age (p = 0.56), female gender (p = 0.08), low- and high-density lipids, or statin use (p = 0.06). Conclusion The prevalence of microalbuminuria among T2DM patients is significantly high (39.1%) and is positively correlated with various factors such as male gender, hypertension, suboptimal control of diabetes mellitus, high HbA1c levels, longer disease duration, dyslipidemia with high triglycerides, treatment modalities of T2DM, and other diabetic complications like neuropathy and retinopathy. As diabetes is very prevalent in our country, the number of patients with diabetic kidney disease will rise significantly in the near future, leading to ESRD and other diabetic complications, and immediate intervention is needed to prevent this. Further research is warranted to explore potential interventions and evaluate their impact on patient outcomes.

Experimental and Theoretical Biological Probing of Schiff Bases as Esterase Inhibitors: Structural, Spectral and Molecular Insights.

The present study was designed to evaluate the in vitro and in silico potential of the Schiff bases (Z)-4-ethoxy-N-((5-nitrothiophen-2-yl)methylene)benzenamine (1) and (Z)-2,4-diiodo-6-((2-methyl-3-nitrophenylimino)methyl)phenol (2). These Schiff bases were synthesized according to a reported method using ethanol as a solvent, and each reaction was monitored on a TLC until completion of the reaction. The structures of both compounds were elucidated using spectroscopic techniques such as UV-Vis, FTIR, 1H NMR and 13C NMR. Molecular structure was determined using single-crystal XRD, which revealed that compounds 1 and 2 were monoclinic and triclinic, respectively. Hirshfeld surface analysis (HS) and 2D fingerprint plots were used to determine the intermolecular interactions along the contact contribution in the crystalline molecules. The structures of both compounds were optimized through a hybrid functional method B3LYP using the 6-31G(d,p) basis set, and various structural parameters were studied. The experimental and theoretical parameters (bond angle and bond length) of the compounds were compared with each other and are in close agreement. The in vitro esterase potential of the synthesized compounds was checked using a spectrophotometric model, while in silico molecular docking studies were performed with AutoDock against two enzymes of the esterase family. The docking studies and the in vitro assessment predicted that such molecules could be used as enzyme inhibitors against the tested enzymes: acetylcholine esterase (AChE) and butyrylcholine esterase (BChE).

The creation of autotetraploid provides insights into critical features of DNA methylome changes after genome doubling in water spinach (Ipomoea aquatica Forsk).

Water spinach (Ipomoea aquatica Forsk) is an essential green leafy vegetable in Asia. In this study, we induced autotetraploid water spinach by colchicine. Furthermore, DNA methylation and transcriptome of tetraploid and diploid were compared using Whole Genome Bisulfite Sequencing (WGBS) and RNA-sequencing techniques. Autotetraploid water spinach was created for the first time. Compared with the diploid parent, autotetraploid water spinach had wider leaves, thicker petioles and stems, thicker and shorter adventitious roots, longer stomas, and larger parenchyma cells. The whole genome methylation level of the autotetraploid was slightly higher than that of the diploid. Compared with the diploid, 12281 Differentially Methylated Regions (DMRs)were found in the autotetraploid, including 2356 hypermethylated and 1310 hypomethylated genes, mainly enriched in 'Arginine and Proline metabolism', 'beta - Alanine metabolism', 'Plant homone signal translation', 'Ribome', and 'Plant - pathgen interaction' pathways. Correlation analysis of transcriptome and DNA methylation data showed that 121 differentially expressed genes undergone differential methylation, related to four pathways 'Other types of O-glycan biosynthesis', 'Terpenoid backbone biosynthesis', 'Biosynthesis of secondary metabolites', and 'Metabolic paths'. This work obtained important autotetraploid resources of water spinach and revealed the genomic DNA methylation changes after genome doubling, being helpful for further studying the molecular mechanism of variations caused by polyploids of the Ipomoea genus.

Interface Manipulations Using Cross-Linked Underlayers and Surface-Active Diblock Copolymers to Extend Morphological Diversity in High-χ Diblock Copolymer Thin Films.

Top and bottom interfaces of high-χ cylinder-forming polystyrene-block-maltoheptaose (PS-b-MH) diblock copolymer (BCP) thin films are manipulated using cross-linked copolymer underlayers and a fluorinated phase-preferential surface-active polymer (SAP) additive to direct the self-assembly (both morphology and orientation) of BCP microdomains into sub-10 nm patterns. A series of four photo-cross-linkable statistical copolymers with various contents of styrene, a 4-vinylbenzyl azide cross-linker, and a carbohydrate-based acrylamide are processed into 15 nm-thick cross-linked passivation layers on silicon substrates. A partially fluorinated analogue of the PS-b-MH phase-preferential SAP additive is designed to tune the surface energy of the top interface. The self-assembly of PS-b-MH thin films on top of different cross-linked underlayers and including 0-20 wt % of SAP additive is investigated by atomic force microscopy and synchrotron grazing incidence small-angle X-ray scattering analysis. The precise manipulation of the interfaces of ca. 30 nm thick PS-b-MH films not only allows the control of the in-plane/out-of-plane orientation of hexagonally packed (HEX) cylinders but also promotes epitaxial order-order transitions from HEX cylinders to either face-centered orthorhombic or body-centered cubic spheres without modifying the volume fraction of both blocks. This general approach paves the way for the controlled self-assembly of other high-χ BCP systems.

Melatonin enhanced the heavy metal-stress tolerance of pepper by mitigating the oxidative damage and reducing the heavy metal accumulation.

Heavy metals (HMs), like vanadium (V), chromium (Cr), cadmium (Cd), and nickel (Ni) toxicity due to anthropogenic, impair plant growth and yield, which is a challenging issue for agricultural production. Melatonin (ME) is a stress mitigating molecule, which alleviates HM-induced phytotoxicity, but the possible underlying mechanism of ME functions under HMs' phytotoxicity is still unclear. Current study uncovered key mechanisms for ME-mediated HMs-stress tolerance in pepper. HMs toxicity greatly reduced growth by impeding leaf photosynthesis, root architecture system, and nutrient uptake. Conversely, ME supplementation markedly enhanced growth attributes, mineral nutrient uptake, photosynthetic efficiency, as measured by chlorophyll content, gas exchange elements, chlorophyll photosynthesis genes' upregulation, and reduced HMs accumulation. ME treatment showed a significant decline in the leaf/root V, Cr, Ni, and Cd concentration which was about 38.1/33.2%, 38.5/25.9%, 34.8/24.9%, and 26.6/25.1%, respectively, when compared with respective HM treatment. Furthermore, ME remarkably reduced the ROS (reactive oxygen species) accumulation, and reinstated the integrity of cellular membrane via activating antioxidant enzymes (SOD, superoxide dismutase; CAT, catalase; APX, ascorbate peroxidase; GR, glutathione reductase; POD, peroxidase; GST, glutathione S-transferase; DHAR, dehydroascorbate reductase; MDHAR, monodehydroascorbate reductase) and as well as regulating ascorbate-glutathione (AsA-GSH) cycle. Importantly, oxidative damage showed efficient alleviations through upregulating the genes related to key defense such as SOD, CAT, POD, GR, GST, APX, GPX, DHAR, and MDHAR; along with the genes related to ME biosynthesis. ME supplementation also enhanced the level of proline and secondary metabolites, and their encoding genes expression, which may control excessive H2O2 (hydrogen peroxide) production. Finally, ME supplementation enhanced the HM stress tolerance of pepper seedlings.

Mineral-Solubilizing Bacteria-Mediated Enzymatic Regulation and Nutrient Acquisition Benefit Cotton's (Gossypium hirsutum L.) Vegetative and Reproductive Growth.

Many farmers' incomes in developing countries depend on the cultivation of major crops grown in arid and semi-arid regions. The agricultural productivity of arid and semi-arid areas primarily relies on chemical fertilizers. The effectiveness of chemical fertilizers needs to improve by integration with other sources of nutrients. Plant growth-promoting bacteria can solubilize nutrients, increase plant nutrient uptake, and supplement chemical fertilizers. A pot experiment evaluated the promising plant growth-promoting bacterial strain's effectiveness in promoting cotton growth, antioxidant enzymes, yield, and nutrient uptake. Two phosphate solubilizing bacterial strains (Bacillus subtilis IA6 and Paenibacillus polymyxa IA7) and two zinc solubilizing bacterial strains (Bacillus sp. IA7 and Bacillus aryabhattai IA20) were coated on cotton seeds in a single as well as co-inoculation treatments. These treatments were compared with uninoculated controls in the presence and absence of recommended chemical fertilizer doses. The results showed the co-inoculation combination of Paenibacillus polymyxa IA7 and Bacillus aryabhattai IA20 significantly increased the number of bolls, seed cotton yield, lint yield, and antioxidants activities, including superoxide dismutase, guaiacol peroxidase, catalase, and peroxidase. Co-inoculation combination of Bacillus subtilis IA6 and Bacillus sp. IA16 promoted growth attributes, including shoot length, root length, shoot fresh weight, and root fresh weight. This co-inoculation combination also increased soil nutrient content. At the same time, Paenibacillus polymyxa IA7 + Bacillus aryabhattai IA20 increased nutrient uptake by plant shoots and roots compared.

Nickel (Ni) phytotoxicity and detoxification mechanisms: A review.

Scientists studying the environment, physiology, and biology have been particularly interested in nickel (Ni) because of its dual effects (essentiality and toxicity) on terrestrial biota. It has been reported in some studies that without an adequate supply of Ni, plants are unable to finish their life cycle. The safest Ni limit for plants is 1.5 µg g-1, while the limit for soil is between 75 and 150 µg g-1. Ni at lethal levels harms plants by interfering with a variety of physiological functions, including enzyme activity, root development, photosynthesis, and mineral uptake. This review focuses on the occurrence and phytotoxicity of Ni with respect to growth, physiological and biochemical aspects. It also delves into advanced Ni detoxification mechanisms such as cellular modifications, organic acids, and chelation of Ni by plant roots, and emphasizes the role of genes involved in Ni detoxification. The discussion has been carried out on the current state of using soil amendments and plant-microbe interactions to successfully remediate Ni from contaminated sites. This review has identified potential drawbacks and difficulties of various strategies for Ni remediation, discussed the importance of these findings for environmental authorities and decision-makers, and concluded by noting the sustainability concerns and future research needs regarding Ni remediation.

Bioassay-Guided Alkaloids Isolation from Camellia sinensis and Colchicum luteum: In Silico and In Vitro Evaluations for Protease Inhibition.

Bioassay-guided isolation from Camellia sinensis (Theaceae) and Colchicum luteum (Liliaceae) utilizing an in vitro model of protease assay revealed colchicine (1) and caffeine (2) from chloroform fractions, respectively. Their structures were validated using spectral techniques. The purified compounds were further optimized with Gaussian software utilizing the B3LYP functional and 6-31G(d,p) basis set. The result files were utilized to determine several global reactivity characteristics to explain the diverse behavior of the compounds. Colchicine (1) showed a higher inhibition of protease activity (63.7 ± 0.5 %age with IC50 = 0.83 ± 0.07 mM), compared with caffeine (2) (39.2 ± 1.3 %age). In order to determine the type of inhibition, compound 1 was further studied, and, based on Lineweaver-Burk/Dixon plots and their secondary replots, it was depicted that compound 1 was a non-competitive inhibitor of this enzyme, with a Ki value of 0.690 ± 0.09 mM. To elucidate the theoretical features of protease inhibition, molecular docking studies were performed against serine protease (PDB #1S0Q), which demonstrated that compound 1 had a strong interaction with the different amino acid residues located on the active site of this understudied enzyme, with a high docking score of 16.2 kcal/mol.

Prolonged Repellent Activity of Plant Essential Oils against Dengue Vector, Aedes aegypti.

Repellents are effective personal protective means against outdoor biting mosquitoes. Repellent formulations composed of EOs are finding increased popularity among consumers. In this study, after an initial screening of 11 essential oils (EOs) at the concentration of 33 µg/cm2, five of the most repellent EOs, Perovskia atriplicifolia, Citrus reticulata (fruit peels), C. reticulata (leaves), Mentha longifolia, and Dysphania ambrosioides were further investigated for repellent activity against Aedes aegypti mosquitoes in time span bioassays. When tested at the concentrations of 33 µg/cm2, 165 µg/cm2 and 330 µg/cm2, the EO of P. atriplicifolia showed the longest repellent effect up to 75, 90 and 135 min, respectively, which was followed by C. reticulata (peels) for 60, 90 and 120 min, M. longifolia for 45, 60 and 90 min, and C. reticulata (leaves) for 30, 45 and 75 min. Notably, the EO of P. atriplicifolia tested at the dose of 330 µg/cm2 showed complete protection for 60 min which was similar to the commercial mosquito repellent DEET. Gas chromatographic-mass spectrometric analyses of the EOs revealed camphor (19.7%), limonene (92.7%), sabinene (24.9%), carvone (82.6%), and trans-ascaridole (38.8%) as the major constituents of P. atriplicifolia, C. reticulata (peels), C. reticulata (leaves), M. longifolia, and D. ambrosioides, respectively. The results of the present study could help develop plant-based commercial repellents to protect humans from dengue mosquitoes.

NMR-Based Metabolomics: A New Paradigm to Unravel Defense-Related Metabolites in Insect-Resistant Cotton Variety through Different Multivariate Data Analysis Approaches.

Cotton (Gossypium hirsutum) is an economically important crop and is widely cultivated around the globe. However, the major problem of cotton is its high vulnerability to biotic and abiotic stresses. It has been around three decades since the cotton plant was genetically engineered with genes encoding insecticidal proteins (mainly Cry proteins) with an aim to protect it against insect attack. Several studies have been reported on the impact of these genes on cotton production and fiber quality. However, the metabolites responsible for conferring resistance in genetically modified cotton need to be explored. The current work aims to unveil the key metabolites responsible for insect resistance in Bt cotton and also compare the conventional multivariate analysis methods with deep learning approaches to perform clustering analysis. We aim to unveil the marker compounds which are responsible for inducing insect resistance in cotton plants. For this purpose, we employed 1H-NMR spectroscopy to perform metabolite profiling of Bt and non-Bt cotton varieties, and a total of 42 different metabolites were identified in cotton plants. In cluster analysis, deep learning approaches (linear discriminant analysis (LDA) and neural networks) showed better separation among cotton varieties compared to conventional methods (principal component analysis (PCA) and orthogonal partial least square discriminant analysis (OPLSDA)). The key metabolites responsible for inter-class separation were terpinolene, α-ketoglutaric acid, aspartic acid, stigmasterol, fructose, maltose, arabinose, xylulose, cinnamic acid, malic acid, valine, nonanoic acid, citrulline, and shikimic acid. The metabolites which regulated differently with the level of significance p < 0.001 amongst different cotton varieties belonged to the tricarboxylic acid cycle (TCA), Shikimic acid, and phenylpropanoid pathways. Our analyses underscore a biosignature of metabolites that might involve in inducing insect resistance in Bt cotton. Moreover, novel evidence from our study could be used in the metabolic engineering of these biological pathways to improve the resilience of Bt cotton against insect/pest attacks. Lastly, our findings are also in complete support of employing deep machine learning algorithms as a useful tool in metabolomics studies.