The present article supports the synthesis of 1,2,3-triazole attached chalcone functionalized bis-organosilane (6) via aldol-condensation and click chemistry approach. The stimulating effects of triazole coupled bis-organosilane has been analysed on the seedling growth of Vigna radiata and the obtained result revealed a significant growth with 5 mg/L concentration in comparison to control. The triazole coupled bis-organosilane was found to be thermally stable up to 385 degrees C. The interactions between 4PSB and compound 6 were investigated by in-silico study, using molecular docking tool which revealed a binding energy of-5.85 kcal/mol. The compound might be used as a plant growth regulator for Vigna radiata in future.

Thiophene, a prominent heterocyclic compound, exhibits a wide array of medicinal properties. This study presents an in-depth theoretical analysis of one of its derivatives, Thianaphthene-2-carboxylic acid. Key parameters investigated include its optimized geometric structure, electronic properties, nonlinear optical (NLO) characteristics, vibrational modes with corresponding wavenumbers, and other molecular attributes. All calculations were performed using density functional theory (DFT) with the 6-311++G(d,p) basis set. The energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) was computed to elucidate charge transfer mechanisms within the molecule. Molecular electrostatic potential (MEP) surfaces were mapped to evaluate the compound’s reactive sites. The dipole moment, polarizability, and first-order hyperpolarizability were also determined using the finite-field method to predict NLO behavior. Spectroscopic analyses, including FT-IR, UV–Vis, and Raman spectra, were conducted using multiple computational approaches and validated against experimental data. Furthermore, theoretical nuclear magnetic resonance (NMR) spectra were simulated using the gauge-invariant atomic orbital (GIAO) method and exhibited strong agreement with experimental NMR results, underscoring the accuracy of the theoretical models employed.

The research aimed to develop of a thiabendazole-derived dual metal sensing probe (TBZT) for the selective detection of metal ions and to explore its metal complexes in reducing environmental pollutants like nitro-phenol and dyes. Absorption and emission based studies predicted the selectivity and sensitivity of TBZT towards Ni(II) and Co(II) ions which was further validated by 1 HNMR, Mass, FT-IR, DFT, Docking, electrochemical, TGA studies and vibrating sample magnetometer analysis techniques. Limit of detection (LOD) values were calculated as 2 x 10-10 M and 4.17 x 10- 8 M for Ni(II) metal ion in emission and absorption based techniques respectively and 2.8 x 10-9 M and 4.5 x 10-6 M for Co(II). EDTA based Reversible binding behaviour suggested its potential for constructing molecular logic gates. Catalytic studies of metal complexes of TBZT with these metals demonstrated TBZT-Co(II) superior activity in reducing nitro-phenol, rhodamine B and methyl red. Real sample analysis validated its capability for the environmental monitoring of these metal ions. This emphasized its potential application in metal ion detection and catalysis.

This article presents the synthesis of chalcone allied 1,2,3-triazole via an aldol-click reaction. The newly synthesized compound chalcogenyl based 1,2,3-triazole (7) selectively detects Co (II) ion over other metal cations by UV-visible photophysical study with the limit of detection value of 1.24 x 10-8 M. Job's plot confirms that compound (7) and the Co (II) metal ion have 1:1 binding stoichiometry. The binding mechanism between Co (II) and sensor was confirmed by using 1 H NMR spectroscopy, mass spectrometry and DFT studies. The reversible behaviour of 7 towards Co (II) was used to construct a molecular logic gate. The compound (7) demonstrated good antioxidant activity with an IC50 value of 3.04 mu M in comparison to 1.31 mu M of DPPH center dot. Further, to explore the antioxidant effect of ligand 7 , the molecular docking analysis was performed with xanthine oxidase protein and the obtained binding energy was-11.08 kcal/mol.

Phytic acid (PA), an anti-nutritional factor hampers the nutritional value of maize-based food by reducing the bioavailability of zinc and iron. Low phytate maize is key for addressing poor micronutrient bioavailability. Here, we developed low phytic acid double mutants (lpa1/lpa2) in maize by crossing lpa1 and lpa2-based near-isogenic lines (NILs) in seven genetic backgrounds. Genotypic selections for lpa1 and lpa2 genes in the F-2 population revealed segregation ratios of 9:3:3:1 for double mutants and 3:1 for single mutants. Newly developed double mutants along with single mutants and wild types, were field-evaluated for two seasons. Wide genetic variation was observed for PA, inorganic phosphorus (Pi), grain yield, and agro-morphological traits, with negligible GxE interactions. PA concentration of lpa1/lpa2 (1.73 mg/g) was significantly (P <0.05) lower than wild types (2.92 mg/g), lpa1 (1.86 mg/g), and lpa2 (2.05 mg/g) lines. The double mutants revealed more prominent PA reduction (41 %) than single mutants, lpa1 (36 %) and lpa2 (30 %) compared to wild types. Additionally, the double mutants recorded comparable performance to wild types for grain yield and other agro-morphological traits. This study illustrated the potential of double mutants over lpa-based single mutants in lowering the anti-nutritional effects and enhancing the nutritional value of maize grains.

Amylose and resistant starch (RS) possess numerous industrial applications and health benefits. However, maize grains possess low amylose (<35%) and RS (<5%). To date, no information is available on the genetic variability of amylose and RS in subtropical maize. Here, 21 hybrids developed using half-diallel mating design are evaluated for starch parameters at three locations. Analysis of variance (ANOVA) revealed a minor contribution for environments for amylose and RS. Amylose (22.2%-49.1%) and RS (1.02%-23.9%) showed wide variation among the hybrids. The experimental hybrids possessed significantly higher amylose (38.1%) and RS (20.9%) over the check hybrids (amylose: 29.1%, RS: 2.3%). PUSA-AML-H12, PUSA-AML-H18, and PUSA-AML-H16 are observed to be the most promising hybrids. Amylose and RS are positively correlated (r = 0.45), while total starch (TS) is negatively correlated with RS (r = -0.53). PMI-AML-147, PMI-AML-149, and PMI-AML-146 are the best general combiners for amylose and RS. Pusa-AML-H1, Pusa-AML-H12, and Pusa-AML-H5 emerged as the best specific combiners for amylose and RS. Both additive and nonadditive variances are important for amylose and RS. This is the first study of amylose and RS in a subtropical maize background, which could be significant in improving amylose and RS.

Sweet corn is one of the most popular vegetables worldwide. However, traditional shrunken2 (sh2 )-based sweet corn varieties are poor in nutritional quality. Here, we analysed the effect of (1) β-carotene hydroxylase1 (crtRB1 ), (2) opaque2 (o2 ) and (3) o2+crtRB1 genes on nutritional quality, germination, seed vigour and physico-biochemical traits in a set of 27 biofortified sh2 -based sweet corn inbreds. The biofortified sweet corn inbreds recorded significantly higher concentrations of proA (16.47μg g-1 ), lysine (0.36%) and tryptophan (0.09%) over original inbreds (proA: 3.14μg g-1 , lysine: 0.18%, tryptophan: 0.04%). The crtRB1 -based inbreds had the lowest electrical conductivity (EC), whereas o2 -based inbreds possessed the highest EC. The o2 +crtRB1 -based inbreds showed similar EC to the original inbreds. Interestingly, o2 -based inbreds also had the lowest germination and seed vigour compared to original inbreds, whereas crtRB1 and o2 +crtRB1 introgressed sweet corn inbreds showed similar germination and seed vigour traits to their original versions. This suggested that the negative effect of o2 on germination, seed vigour and EC is nullified by crtRB1 in the double mutant sweet corn. Overall, o2 +crtRB1 -based sweet corn inbreds were found the most desirable over crtRB1 - and o2 -based inbreds alone.

Cerium tartrate(CeTar),produced in this study by precipitating cerium nitrate with potassium sodium tartrate(KNaTar),was examined as a corrosion inhibitor.Weight loss tests show inhibition efficiency of 71.7％with Ce(NO3)3 and 88.7％with CeTar inhibitor for one-month exposure to mild steel in 7 g/L NaCl solution.The inhibition efficiency drops to 28.6％with the former and remains around 87％with the latter inhibitor after six months of exposure.Similar results from electrochemical testing indicate that the inhibition efficiency decreases by adding cerium nitrate.Still,the cerium tartrate inhibitor demonstrates a nearly constant inhibition efficiency for up to 30 d,i.e.,≈ 90％.Electrochemical impedance spectroscopy(EIS)performed in these cases shows the following results:(ⅰ)with cerium nitrate,a film of iron and cerium oxide,which on prolonged exposure diminishes,and(ⅱ)with cerium tartrate,the formation of a bimetallic film(Fe-tartrate-Ce)and a mixture of cerium hydroxide and iron oxide that protects steel for a longer duration.These inferences are based on the analyses of scanning electron microscopy/energy-dispersive X-ray analysis(SEM/EDAX),X-ray diffraction(XRD),Fourier transform infrared spectroscopy(FTIR),X-ray photoelectron(XPS),and Raman spectroscopy results.

The current article emphasizes the synthesis of 1,2,3-triazole functionalized organosilanes, 6(a-b) via CuAAC reaction. The organosilane 6a has been utilized for the colorimetric detection of Zr (IV). The absorption properties of 6a have been studied and it has shown selectivity towards Zr (IV), with a limit of detection value of 1.23 x 10- 8 M. The Job's plot analysis has confirmed a 1:1 binding stoichiometry ratio of 6a with Zr (IV). The potential binding site of 6a for Zr (IV) has been confirmed using 1H NMR spectra of the metal-ligand complex. The real sample analysis has been performed with wheat flour. The DPPH and ABTS assay have revealed the antioxidant potential of compound 6a, with an IC50 value of 2.251 mu M and 1.797 mu M, respectively. Additionally, the molecular docking study of ligand 6a with tyrosinase has been performed, which demonstrates the antioxidant activity of the ligand, with a binding energy of -8.71 kcal mol- 1.

Piperazine functionalized Schiff bases 4(a-c) were synthesized by a condensation reaction which were thoroughly characterized by using various spectroscopic techniques like 1H NMR, 13C NMR, IR and mass spectrometry. X-ray crystallography was used to analyse synthesized compound 4b. The sensing capability of 4b was investigated towards the tetravalent form of the zirconium ion among other metal ions. The limit of detection and the association constant, were calculated to be 56.4 × 10-8 M and 5.36 × 105 M-1 respectively. The inclusion of additional metal ions had no effect on the selectivity of sensor 4b. The binding mechanism was clarified using 1HNMR spectroscopy, which was further verified computationally, using DFT. Also, the seed germination experiments were performed and effect of compound 4b was analyzed on the seedlings of Zea Mays. An investigation into molecular docking study using (5HQX) protein revealed that it had inhibitory effects on cytokinin oxidase. The protein and ligand effectively associate, as indicated by the lower binding energy of -9.69 kcal/mol. Therefore, compound 4b can act as a good, powerful inhibitor against cytokinin oxidase.

In this study, a rapid-sensing material featuring azomethine functionalized Schiff base has been developed to address the pressing need for zirconium detection. The sensor demonstrates remarkable selectivity for zirconium (IV) ions, surpassing its performance with respect to other relevant metal ions. The elucidation of compound structures was accomplished through X-ray crystallography, unveiling a new approach to zirconium (IV) ion detection with a high binding constant of 8.01 x 104 M-1 and an exceptionally low limit of detection (LOD) of 31.5 nM. Moreover, the binding stoichiometry between Probe 4a and Zr(IV) was determined to be 1:1, as confirmed by both Job's plot analysis and spectroscopy analysis. Successful Zr(IV) ion detection in real samples was achieved using synthesized compound 4a. Furthermore, compound 4a exhibits notable antibacterial and antioxidant properties. Molecular docking analysis with the TLR-4 receptor protein supports the antibacterial efficacy of compound 4a, revealing a robust binding energy of-8.23 kcal mol-1.

In this review we have tried to present our view on the synergy between nature and chemists’ toolbox toward discovery of new reactions. Toward the search for new chemical reactivity, not only chemists learn from nature but nature’s evolutionary pathway perhaps has footprints of chemist’s innovative discoveries and beyond. Taking CO2 as a representative example of an abundant energy rich small molecule resource, we have tried to explore the probable strategies of activating the molecule using first row transition metal catalysts for sustainable organic transformation. Our study has tried to unfold nature’s strategy of CO2 activation and recycling which eventually motivated chemists toward discovery of new chemical reactions and further inspired to expand their toolbox for discovering new reactivities beyond the natural enzyme repertoire. The basic chemical CO2 activation strategy which have been focused in this review are using CO2 as a C1 building block in organic synthesis; catalytic reductive formylation and methylation of amines; carboxylation reactions via CO2 insertion. Additionally, carbonylation reactions with CO2 as CO surrogate has also been discussed. The focus of this review is to correlate nature’s chemical strategies with chemist’s approach to understand the concept involved in the chemical activation and utilization process of CO2 for unlocking new reaction paradigm, both for chemists’ and for nature’s catalytic repertoire.

Nowadays, pharmaceutical industries occupy a central position in accommodating the wastewater effluents. These wastewater effluents are frequently impossible to remove using traditional wastewater treatment approaches due to their complex chemical composition, size, concentration of organic contaminants, volume load, salinity, and biological toxicity. Pharmaceutical active compounds (PhACs) remain unchanged and accentuate wastewater effluents, which is a limitation in the traditional wastewater treatment approaches. Nanotechnologies have emerged as the preferred way to treat the wastewater for different purposes, including industrial, agricultural, and domestic applications. Membrane technologies, including ultrafiltration (UF), nanofiltration (NF), and reverse osmosis (ROs), are few promising approaches in the wastewater treatment. Although NF proceeds on the spire, it consumes less energy and demonstrate a higher rejection rate as compared to RO and UF, respectively. Some of the important the membrane features, like feed characteristics, and operating conditions completely underlie the efficiency of these filtration technologies. Present book chapter covers the trending membrane-based approaches, their applications, and recommendations for further investigations pertaining to their efficacy utility and future improvements.

Acetaminophen, commonly known as paracetamol, is a widely used analgesic and antipyretic drug that is frequently found in over-the-counter and prescription medications. Due to its extensive use, precise monitoring of acetaminophen levels is crucial for ensuring patient safety, especially to prevent accidental overdoses which can lead to severe liver damage. In this study, a novel electrochemical sensor based on graphene oxide (GO) functionalized with silatrane was developed for the detection of acetaminophen. The hybrid material was synthesized and electrodeposited on a glassy carbon electrode, providing a highly selective, sensitive, and reproducible platform for acetaminophen detection. The sensor exhibited a linear detection range from 2.5 to 100 mu M with a limit of detection of 84.8 nM. The effectiveness of this GO-based sensing platform was demonstrated through the successful quantification of acetaminophen in pharmaceutical tablets such as Dolo 650, Paracip, and Crocin. The results highlight the potential application of this sensor in quality control and safety monitoring of pharmaceutical formulations, ensuring accurate determination of acetaminophen content.

The development of a sensitive molecular probe for recognition of uric acid is imperative because of diseases caused from change in its normal level. In the present article, new nanocomposites are developed based on graphene oxide (GO) functionalized organosilanes and applied for electrochemical detection of uric acid using GO-Silane/Glassy Carbon Electrode (GCE). Firstly, Isoindolone tethered organosilanes are synthesized by inserting amino phenol into pthallic anhydride followed by azide-alkyne click reaction catalyzed by [CuBr (PPh3)3]. The presence of silane unit helped in the extension of this molecular system in the material field and the prepared organosilanes have been grafted over the graphene oxide surface to get the desired probe for uric acid. The newly synthesized compounds have been well characterized by Infrared Spectroscopy (IR), Nuclear Magnetic Resonance (1H and 13C NMR), X-ray Diffraction (XRD), Field Emission Scanning Electron Microscope (FE-SEM) and mass spectral analysis. Cyclic Voltammetry (CV) and Differential Pulse Voltammetry (DPV) are used to evaluate the electrochemical signal of the prepared GO-Silane/GCE electrode. The results obtained shows excellent selectivity for uric acid against different species with a low detection limit of 65.7 nM in the linear range 2.5 μM to 80.0 μM. Further, the outcome of the work suggests high specificity of the current GO-silane based receptor for uric acid in the presence of different interfering ions. Moreover, the real sample analysis of the present organosilane-based receptor in urine and water pave the way for its practical applicability.

Amylose and resistant starch (RS) possess diverse health benefits besides serving as an important component in the starch industry. This study analyzed 48 subtropically-adapted maize inbreds at multiple locations and characterized for specific starch genes using markers specific to SNPs. Significant variation for amylose (0.3-66.4%), RS (1.8-38.0%), and total starch (65.5-75.1%) is observed. Amylose showed a positive correlation with RS (r = 0.79**). Molecular analysis using 29 markers produced 40 alleles with an average major allele frequency of 0.84. Gene diversity, polymorphism information content (PIC), and genetic dissimilarity are 0.23, 0.19, and 0.33, respectively. The genotypes are categorized into six major clusters based on the markers, and high amylose and RS lines are assigned to cluster-A and cluster-B. The alleles associated with Sbe2b (84 bp Del) and Sbe1a (SNP "A") showed positive correlations with amylose and RS. Additionally, allele "A" linked to the Sucrose transporter6 (Sut6) displayed a positive correlation with RS. Considering Sbe2b, Sbe1a and Sut6 genes, six haplotypes are observed, of these, hap-A possessed the highest amylose and RS. The promising inbreds can be used as donors, while the validated markers for Sbe2b, Sbe1a and Sut6 genes can be effectively utilized for the improvement of amylose and RS through molecular breeding.

High amylose starch has many benefits to human health besides diverse industrial applications. Traditional maize grains possess <35% amylose and <5% resistant starch. Here, 48 subtropically adapted maize inbreds were evaluated at three locations for various starch attributes. Wide genetic variation for total starch (66.8–74.1%), amylose (1.7–66.2%) and resistant starch (1.4–39.4%) was observed. Minor influence (<5% of total variation) of environment and genotype × environment interactions was observed across the traits. PMI-AML-146 and PMI-AML-147 possessed high amylose (66.2% and 64.2%) and resistant starch (39.4% and 38.0%). At the same time, PMI-WX1 and PMI-WX3 possessed low amylose (1.7% and 3.6%) and resistant starch (1.4% and 1.7%). Amylose was positively correlated with resistant starch (RS, r=0.81) except in a few inbreds. Though CML373 possessed comparatively higher amylose (47.7%), it had a low RS (16.8%). On the contrary, PMI-AML-150 had lower amylose (25.5%) but higher RS (21.4%), suggesting that besides amylose, other factors also play a role in constituting RS. The high amylose and RS inbreds identified here would serve as donors in the breeding programme. This is the first report on genetic variation in amylose and resistant starch in subtropically adapted maize.