Wheat (Triticum aestivum L.), a vital staple crop, faces mounting challenges in ensuring global food security. This study aimed to develop solid stemmed wheat varieties fortified with multiple disease-resistance genes to combat disease and lodging challenges. Solid stem trait from select donors was transferred into contemporary Indian bread wheat cultivars. Additionally, through marker assisted backcrossing (MABC) techniques, resistant genes targeting leaf, stem, yellow rust, and powdery mildew were also incorporated into those backgrounds. Molecular markers confirmed the presence of solid stem and targeted resistance genes, ensuring the reliability of newly developed lines. These lines were assessed for solid stem characteristics to evaluate their performance across diverse regions. Field assessments conducted for disease screening in Wellington identified wheat varieties that exhibit resistance to both rusts and powdery mildew. Phenotypic screening for lodging and thermo tolerance highlighted the resilience of wheat lines with solid pith, emphasizing their potential role in mitigating climate change impacts. The study underscores the efficacy of backcross breeding and molecular tools in developing lodging resistant and thermo tolerant wheat varieties with enhanced rust-resistance, contributing to sustainable wheat production systems.

A quick and low-temperature chemical reduction approach was used to synthesis trimanganese tetroxide nanoparticles (Mn3O4 NPs) in the zinc chloride: urea: acetamide deep eutectic solvent (ZUA-DES). Additionally, their efficiency in suppressing free radicals, preventing bacterial growth, and detecting 2,4,6-Trinitrophenol (TNP) was assessed. Utilizing XRD, HRTEM, UV-Vis, DTA/TG, XPS, FTIR, and FL spectroscopy, the Mn3O4 NPs were investigated and characterized. According to observations of powder X-ray diffraction, the Hausmannite Mn3O4 NPs form in a tetragonal system with an average crystallite size of 28 nm. The self-assembled, randomly dispersed, spherical Mn3O4 NPs from HRTEM observations ranged in size from 5 to 60 nm. The fluorescence spectrum results validated the produced NPs' sensitivity for TNP detection in an aqueous medium. The antimicrobial property of the Mn3O4 NPs was estimated against certain bacterial strains, including E. coli, K. pneumonia, S. aureus, E. coli, and M. luteus. The Mn3O4 NPs resisted the growth of E. coli with an inhibition zone of 12 mm at a concentration of 1000 mu g/disc. They scavenged 75.97 % of the DPPH and 73.50 % of the DMPD free radicals at a concentration of 800 mu g/mL. In conclusion, Mn3O4 NPs may be a useful material for the development of sensors for the detection of TNP.

A nonlinear optical material, characterized by delocalized pi-pi* orbital electrons, was successfully synthesized from a mixture of C8H8O3 and C3H7NO2 [D-alanine and d-mandelic acid (DADM)] using the slow evaporation solution growth technique at ambient temperature with water as the solvent. Single crystal X-ray diffraction confirmed the structure of the resulting amino acid salts. FTIR spectroscopic studies initially identified the presence of expected functional groups. Evaluated the optical band gap and assessed the optical quality through a UV-visible spectral study. Recorded the fluorescence emission spectrum and calculated the lifetime. The second order and third-order nonlinear optical response of DADM was confirmed by Kurtz-Perry and Z-scan technique. Theoretical characterization of DADM, including geometrical parameters, vibrational aspects, electronic properties, and chemical shifts, was conducted using Density Functional Theory (DFT) with the B3LYP/6-311++G(d, p) basis set. The impact of different solvents on electronic properties was explored. Time-Dependent Density Functional Theory (TD-DFT) methods were employed to analyze electronic spectra in various solvents, such as polar ones (ethanol, dimethyl sulfoxide (DMSO), and water) and nonpolar-solvents (chloroform, cyclohexane, and toluene), as well as in the gas phase. Besides, Hirshfeld surface and Molecular Electrostatic Potential (MEP) surface analysis was utilized to gain insights into the reactive sites within the molecular structures of DADM. Topological studies using the Multiwfn software further elucidated binding sites and weak interactions in DADM. In addition, a molecular docking analysis was performed to assess potential biological activity against the SARSnCoV-2 Mpro protein, supporting the antiviral effectiveness of these compounds.

Centro-symmetric 4AP4CB crystal with monoclinic crystal system analyzed by powder X-ray diffraction. The finger print plots of Hirshfeld surface analysis indicate that the crystal packing is dominated by H–H hydrogen bonds and Fourier transform infrared spectroscopy confirms the presence of active functional group. From UV–visible analysis, optical constants of 4AP4CB crystal such as absorption coefficient (α), energy band gap (Eg = 4.38 V), extinction coefficient (K), reflectance (R), refractive index (n = 1.4599), electrical conductivity (σelectrical) and optical conductivity (σoptical) were determined for suitability of NLO applications. The emission band gap determined as 3.07 eV from Photo luminescence spectroscopy. The electro chemical band gap calculated as 3.39 eV from cyclic voltammeter. At 308 K, the dielectric investigation identified the electric field response for the grown 4AP4CB crystal. Absorption, emission and electrochemical band gap of 4AP4CB were determined. Vickers’s micro hardness test indicates that the 4AP4CB crystal is a soft material. The thermal stability of the grown crystal is 62 °C studied from thermo gravimetric and differential thermal analysis for optoelectronic applications. The second harmonic generation test using the Kurtz-power technique revealed that the polarization led to 2.2 times the SHG efficiency of standard KDP.

Rust diseases, caused by fungal pathogens, are a significant threat to global wheat production, including in India. The 2NvS translocation from Aegilops ventricosa, carrying the Lr37 + Sr38 + Yr17 gene cluster, has been crucial in developing rust-resistant wheat varieties. In this study, conventional backcross breeding was initially employed to integrate this gene cluster into ten Indian bread wheat cultivars, leading to the development of BC7F8 near-isogenic lines (NILs) with rust resistance. Comprehensive phenotyping at both juvenile and mature plant stages was done to select for desirable traits. However, this method was time-consuming and dependent on consistent disease pressure. The development of NIL’s took almost a decade and by the time the recurrent parents chosen were no longer in cultivation. To overcome these challenges, marker-assisted backcross breeding was subsequently employed, utilizing the VENTRIUP/LN2 molecular marker to verify the presence of the gene cluster which is more efficient and reliable in selecting desired traits. This approach enabled the efficient introgression of desirable traits into modern wheat varieties such as HD 2733, PBW 343, DBW 39, HD 2967, and HW 2045, specifically targeting the North Eastern Plain Zone of India. By shifting from conventional to marker-assisted backcross breeding using the VENTRIUP/LN2 marker, this study introduced a novel method that accelerated the development of rust-resistant lines, enhancing wheat production in rust-prone regions.

Highly capable nonlinear optical brucinium di-hydrogen citrate tri-hydrate (BDHCTH) single crystal under organic material category has been grown-up successfully by slow evaporation method. Optical, electrical, and thermal investigations were made on title crystal to discover the suitability of fabrication of an optical as well as electrical device for the first time. Crystal structure analysis confirms that, the BDHCTH crystal belongs to triclinic crystal system with non-centro symmetric space group P1. The SLDT value of BDHCTH crystal was found to be 4.22 GW/cm2. Second harmonic generation efficiency of the BDHCTH compound is 1.08 times superior to the reference sample KDP. An attribution of single and sharp peak with lesser full width half maximum value confirms the presence of very fewer defects in the grown crystal. An electric response of the title compound shows the normal dielectric behavior. The piezoelectric charge co-efficient (d33) was found to be 4.5 p C/N. Photo luminescence study confirms that the synthesized sample possess violet, blue and red emission behaviors. Presences of various functional groups in the title sample were identified by FT-IR study. Thermal stability of the compound BDHCTH was found to be 135 °C. Kinetic parameters such as activation energy, Arrhenius factor, standard entropy of activation, standard enthalpy of activation, standard Gibb's energy of activation (ΔG*) and induction time of the grown sample were found to be 161.6396 k J mol−1, 7.4854 s−1, -230.8278 J K mol−1, 154.854 k J mol−1, 249.0314 k J mol−1 and 52 days respectively. At the end of an optical, electrical and thermal analysis, we concluded that the grown crystal is an optimistic tool for microelectronics, OPO and OLED applications due to existence of good SHG value, lesser defect and red emission behavior.

Gamma spectrometry was employed to determine activity concentration of naturally occurring radionuclides 238U, 232Th and 40K in sediment samples collected from Vellanathuruthu to Thumpoly of Kerala Coast using NaI(Tl) detector and to evaluate the radiation hazards. The levels and distribution of radionuclides in sediments from this coastal area have been determined. The activities ranges and mean (in bracket) values for 238U, 232Th, and 40K are 78.92 to 1493 Bq kg-1 (552.63), 94.76 to 2856.46 (851.24) Bq kg-1 and 30 to 2399.20 (678.61) Bq kg-1 respectively. The mean activity of 238U, 232Th, and 40K are higher than the global average values (35 Bq kg-1 for 238U, 400 Bq kg-1 for 40K, and 30 Bq kg-1 for 232Th) of these radionuclides in the sediment and it may be due the presence of rich deposits of black sands. The radium equivalent activity was estimated to range from 216.74 to 5762.48 Bq kg-1 (1822.17). The average absorbed dose rate was determined to vary from 94.96 to 2515.83 nGyh-1 (797.97) and the annual effective dose was estimated to range from 0.12 to 3.09 mSvy-1 (0.98). Additionally, it was estimated that the average external hazard index was 4.92 and the average internal hazard index was 6.41 respectively. The computed radiation indices for all samples were compared to internationally accepted standards, showing that they are above the recommended limits. The results of the present investigation indicate that the radioactivity in the region is slightly above the global average values.

The invention discloses a preparation method for nickel (II) nitrate hexahydrate boric acid and the growth of single crystals by the slow evaporation solution growth technique. Single crystal x-ray diffraction (XRD) analysis shows N2NHB crystallize in triclinic P crystal system with lattice parameters of a = 6.61 Å, b = 7.05 Å, c = 7.07 Å, α = 119.61°, β = 92.25°, γ = 101.11° and volume = 278 Å3. The chemical composition and the corresponding functional groups of the grown crystal have been identified by EDAX and FTIR analyses. Scanning electron microscope (SEM) pictograph indicated that the particles were closely spherical in shape with slight agglomeration. UV–Visible studies shows N2NHB crystal exhibit lower cut-off wavelength of 314 nm, wide optical window (320 – 800 nm) and wide band gap of 4.16 eV. According to the fluorescence spectrum, the emission occurs at a wavelength of 533 nm. Different temperatures were used to study the Grown crystalc dielectric behaviour. A positive photocurrent is found in the Grown crystal, as shown by the photoconductivity analysis. The second harmonic generation (SHG) capability was demonstrated by the standard Kurtz and Perry powder method. Open aperture Z-scan technique reveals that the material exhibits two-photon absorption phenomenon with nonlinear absorption coefficient of 0.75 × 10−11 m/W. The material displays optical limiting behaviour with an onset limiting threshold of 4.72 × 1012 W/m2. Altogether the grown N2NHB crystal can be utilized wide variety of optoelectronic applications of which optical limiting activity for laser safety devices is notable.

In this study, the benzaldehyde derivative 5-chloro-2-hydroxy-3-methoxybenzaldehyde (5C2H3MB) was characterized using spectroscopic techniques. Geometric parameters and complete fundamental vibrational assignments were simulated using DFT/B3LYP/6-311++G(d,p). The 1H and 13C chemical shifts, computed using the GIAO method, were in agreement with the experimental findings. The electronic properties of 5C2H3MB were analyzed using time-dependent density functional theory (TD-DFT) to determine various electronic parameters, including HOMO-LUMO energies. NBO analysis was performed to determine the numerous hyper-conjugative interactions responsible for the stability of the compound. In addition, Mulliken population analysis and Molecular Electrostatic Potential Surfaces (MESP) analysis were conducted to identify electron-rich, electron-poor, reactive sites, and bonding characteristics of the titled compound. The topological analyses ELF, LOL, NCI, QTAIM, and RDG were performed using Multiwfn software, and global reactivity parameters and Fukui functions were also predicted. Molecular docking studies were conducted to confirm the biological activity by simulating the binding orientation and affinity of 5C2H3MB against transferase inhibitor and human phosphorylated IRE1 alpha, showing a binding energy of -5.1, -5.3 and -5.9 kcal/mol, indicating its potential as an antagonist.

In a two-step reduction process, Ni-based alloy nanocatalysts (Ni-ANCs) made of nickel-iron-cobalt with a carbon support (Ni-Fe-Co/C) were produced in various molar proportions. A comprehensive structural characterization of the morphology and composition of Ni-ANCs was evaluated using XRD, TEM and EDX analyses. The XRD results from Ni-ANCs indicated a diffraction pattern that was caused by only one face-centered cubic (FCC) phase, indicating that the ternary metals Instead of a phase-separated structure, a well-mixed solid solution structure was created. TEM images showed that Ni-ANCs have a particle size of between 13 and 30 nm uniform dispersivity on the carbon support. At the same time, the electrochemical activities of Ni-ANCs were evaluated by means of CV, LSV and CA investigate for the Induction of electrooxidation in ethylene glycol at room temperature. Experimental results reveal that Ni60Co40/C and Ni60Fe30Co10/C are substantially more potent than Ni60Fe40/C and Ni100/C respectively, when using Co-containing alloy nanocatalysts. Specifically, the ternary Ni60Fe30Co10/C catalyst has a higher electrochemical activity than its binary counterpart, which can be attributed to the conductivity and deformation effects. This is noteworthy because it demonstrates that Co accelerates the oxidation of Ni to a more active NiOOH at a lower overpotential level, enabling otherwise inactive Fe sites within the Ni (OH)2 phase to become active.

In this study, quantum-chemical computational calculations were performed to evaluate the electronic structures of pyrogallol carboxaldehydes, specifically the pyrogallol-4-carboxaldehyde (P4C) and the pyrogallol-5-carboxaldehyde (P5C). To this end, the DFT/ B3LYP/6-311++G(d,p) method and basis set were used. A comprehensive analysis of the structures and their chemical, biological, and various electronic features was done to gain deeper insights into the pyrogallol carboxaldehydes. Moreover, Mulliken population and molecular electrostatic potential surface (MESP) were calculated for comprehensive understanding of the bonding characteristics and reactive sites of the pyrogallol carboxaldehydes. The pharmacokinetic properties, including absorption, distribution, metabolism, and excretion (ADME) were assessed to predict the toxicity of the pyrogallol carboxaldehydes. Furthermore, in silico molecular docking was employed to determine the biological significance of the pyrogallol carboxaldehydes as potential anti-tumour agents. This was done by targeting oncogenic proteins such as Kristen rat sarcoma viral oncogene (K-RAS), Harvey rat sarcoma viral oncogene (H-RASGTP), and H-RASGDP, and the obtained binding energies were-5.46,-5.38, and-5.52 kcal mol-1 for the P4C and-5.53,-5.64, and-5.60 kcal mol-1 for the P5C, respectively.

2-Aminopridinium 5-formylsalicylate (2A5FS) is an organic nonlinear optical single crystal grown by the slow evaporation technique. The peaks in the powder X-ray diffraction patterns are found to be well indexed with the Centrosymmetric monoclinic phase. Hirshfeld surface analysis indicates that contacts involving hydrogen, such as H⋯H, C⋯H, and O⋯H, have a great influence on the molecular properties of 2A5FS. FTIR results indicated function groups present in the synthesized compound. The band energy gap of 3.76 eV calculated from the Tauc’s plot, UV–Vis–NIR spectroscopy shows that the crystal has the maximum transparency in the entire visible region. The fluorescence emission is the spectrum analyzed. The CV curve reveals the good reversibility of charge carriers and electrochemical band gap was determined. Thermal behavior and mechanical stability were studied. The SHG efficiency was found to be 1.4 times that of the reference KDP material.

FTIR, FT-Raman and NMR are studied to explore the functional groups, the vibration modes and its coupling interactions for the grown single crystal piperazine-1,4-diium bis (4-aminobenzenesulfonate) (PABS). The cut-off wavelength at 303 nm of UV–Visible spectrum exhibits great transmittance over the entire visible spectrum. Photoluminescence spectral study revealed the electron excitation notably in blue emission range. The range of susceptibility and nonlinear refractive index was obtained from second and third harmonic generations of PABS crystals. At various temperatures, the thermal stability of the crystal and the crystal dielectric characteristics had been studied in relation to frequency. The hardness of the crystal was obtained by microhardness measurements.

Monopotassium orthophosphate (MPOP) crystals in pure form and monopotassium orthophosphate crystals in doped form with non-essential amino acid L-serine (LSMPOP) are obtained by implementing slow evaporation solution growth techniques. The peaks of powder XRD graphical output, while comparing with the powder XRD pattern of pure MPOP, is found that 2θ values shifted slightly for L-serine-doped MPOP and this suggests that the formation of parent material is slightly disturbed by the dopant L-serine. The lattice constant and other crystal characteristics like volume, space group crystal system were analysed in detail by single crystal X-ray diffraction investigations and it is found that it belongs to I-42d space group and tetragonal structure. The infra-red Fourier transforms’ spectral studies give information about the functional groups present in the pure and L-serine-doped parent material MPOP. The properties like optical energy gap, lower cut-off wavelength and transmittance were given by ultraviolet visible spectral inspections and the cut-off wavelength is found to be 382 nm for MPOP and 385 nm for LSMPOP, the band gap is found to be 2.85 eV for MPOP and 3.03 eV for LSMPOP. The microhardness of the title materials are calculated by Vickers microhardness studies. The electrical behaviours of MPOP and LSMPOP, such as dielectric constant, ac conductivity, impedance spectroscopy, activation energy are diagnosed and calculated by dielectric analysis.

Amide compounds exhibit tautomerism which is an important property in organic synthesis. Evidence for the occurrence of tautomeric forms for amido-imidols is interpreted via mass spectrometry techniques. The tautomeric equilibrium of pyrimidone moiety was rationalized and the existence of amido-imidol tautomerism in 6-methyl-4-(3-nitro-phenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester (6M3NP) was verified. The proton nuclear magnetic resonance splitting pattern shows the intramolecular hydrogen bonding between the keto-enol forms which evidences through a fluctuation in the integration value of C4 proton. Synthesis proceeds through novel BF3-OEt2 catalysed one-pot, simple, efficient, minimal catalyst usage, compatible, outstanding yield, and rapid protocol for the Tetrahydropyrimidinones via Biginelli reaction is described. The titled compound 6M3NP was characterized by infrared and nuclear magnetic resonance. The compound was screened for antimicrobial activity against 3 microbes which showed a high zone of inhibition when compared to standard streptomycin. The antioxidant activity using 2,2-diphenyl-1-picryl-hydrazyl-hydrate assay gave a promising IC50 value of 14.11 mu M. The more the radical scavenging activity the greater the chance of functioning as an anticancer agent. 6M3NP was tested against breast cancer cells after scrutiny with 60 cell lines. Clonogenicity and soft agar colony formation were significantly reduced in MCF7, MDA-MB-231, and T47D breast cancer cells after treatment with 6M3NP. The in-silico dock score obtained for the title compound was 62.845 which is 40% more than the standard drug Nifedipine. In-vitro cell line analysis results showed that the title compound possesses maximum activity than commercial drug Nifedipine against cardiovascular disease as a calcium channel blocker.

A semi-organic, nonlinear optical single crystal of l-Glutamic acid Cadmium Chloride (LGCC) was grown at room temperature from an aqueous solution by using the slow evaporation method. SXRD studies indicate that it belongs to the orthorhombic system. Powder XRD method is used to study the crystalline nature of the grown LGCC crystal. FTIR spectral analysis was employed to ascertain the functional group existing in the grown crystal. An optical transmission study found that the LGCC crystal had wider transmittance across the complete UV–Vis-NIR spectrum, with a lower cut-off wavelength of 252 nm. Vicker’s microhardness test findings were used to calculate the mechanical strength of the grown crystal. Employing Kurtz’s powder technique, it was estimated that the SHG of crystal was 1.06 times that of KDP. Thermogravimetric and differential thermal analytical studies help us to measure title crystal’s melting point and thermal stability. The photoluminescence characteristics of the LGCC crystal were revealed with PL analysis. To examine the microstructure of the grown crystal, a scanning electron microscope investigation was performed.

The current study focused on the distribution of heavy metals in marine sediments from coastline of Kerala, India using Energy Dispersive X-ray Fluorescence (EDXRF) technique. The concentration of V, Cr, Mn, Cu, Zn, Ba, Rb, Zr, As, Br, Sr, and Pb was determined in the sediment samples. The extent of pollution to sediment was assessed via various pollution indices such as enrichment factor (EF), contamination factor (CF), geo accumulation index (Igeo), metal pollution load index (MPI), degree of contamination (Cd), modified contamination degree (mCd), and potential contamination index (Cp) based on the corresponding background values. The source of origin of heavy metals and the correlation amongst the studied elements was studied using multivariate analysis approach (Pearson correlation matrix, principal component analysis and cluster analysis). The Sediment Quality Guidelines (SQGs) was applied to understand the ecotoxicological significance of heavy metal toxicity. The observed concentration of heavy metals in the studied sediments is due to anthropogenic activity and also from the discharge of municipal wastewater, domestic sewage, fishing harbor activities, industrial and aquaculture pollutants. A regular surveillance and remedial measures for contaminant discharge may reduce the metal content in the study area.

The centro-symmetric single-crystal 2A3C2HP bearing the IUPAC nomenclature of 2-aminopyridin-1-ium 3-carboxy-2-carboxymethyl-2-hydroxypropanoate has been grown by the slow evaporation method, and its molecular structure, crystalline nature, are analyzed by powder X-ray diffraction and FTIR analysis, revealed the existence of functional groups of molecules. UV visible absorption occurs at the lower cut-off wavelength of 265 nm and the optical constants such as absorption coefficient (α), energy band gap (Eg), extinction coefficient (K), refractive index (n = 1.83), the real and imaginary parts of dielectric constants (ε1 and ε2), and dielectric loss were determined from the UV–Vis spectrum. The excitation band gap from the photoluminescence spectrum, the electrochemical band gap from the cyclic voltammeter, and the thermal stability from TG/DTA are determined. The second harmonic generation efficiency is 1.2 times higher than KDP.