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The crystal of 4 Bromo − 4' Chloro Benzylidene Aniline-BCBA is synthesized and crystallized in the orthorhombic with Pccn space group. The lattice constants are a = 24.995 Å, b = 6.286 Å, c = 7.326 Å. The bond parameters are reported with statistics for the comparison purpose. The computational structural analyses about Vander Waal’s, 3D representation are portrayed; Raman spectroscopy provides the functional groups of BCBA. Mass spectrometer data reveal the molecular mass of BCBA as 295.5797; the Vander Waal’s type of interactions presented in the title compound, a systematic study of Super-cell, Laue’s model and Clinographic view of BCBA and device displays are carried out computationally. Hirshfeld surface analysis is used to envisage the many intermolecular interactions for the configuration of supramolecular structural design of BCBA. Dielectric properties are studied in the ambience of the room temperature for identifying the existence of all polarizations and in bio-medicinal use too as a better agent against diabetic macro level as IC50 of 48.76 and 52.12 for alpha-amylase and alpha-glucosidase as in-vitro case; the wear and tear of BCBA-macro is better scaled up for tribological study with frictional coefficient as 3*10−3.

The single crystals of diethyl-2-(3-oxoiso-1,3-dihydrobenzofuran-1-ylidene) malonate (D23DYM) were grown successfully and efficiently by the standard slow evaporation method. The lattice cell parameters by XRD analysis also confirmed that the crystal system is Triclinic with the space group of Pī. The FTIR spectrum portrays the presence of major and active functional groups in D23DYM. The thermal studies explained the two major weight losses between 107 and 153 °C and 153 and 800 °C for D23DYM have been observed. It is very clear that the hardness profile of D23DYM increases with increase in load which confirms reverse indentation size effect (RISE), and the work-hardening coefficient 'n' was observed as 2.936. The negative photoconductive nature as the predominant property and the dielectric constant and dielectric loss are perfectly and accurately measured and properly reported. The structural properties by theoretical manner confirm the elucidation as well as the confirmation for XRD data and the computational way of identifying the lattice bond length and bond angles using software. Diabetes mellitus is the commonly occurring disease associated with lifestyle and feeding behavior of D23DYM—organic crystals are tested by the use of molecular docking. The binding affinity values for the standard inhibitor A74DME and investigational compound D23DYM were − 8.1 kJ/mole and − 8.3 kJ/mole, respectively, and in future may get proceeded for in vivo animal analysis as well as anti-cancer work as the benzofuran is present in the crystal and is better diabetic- and cancer-opposing agent.

The single crystalline diethyl 3,3[Formula: see text]-[(2,4-dichlorophenyl)methylidene]bis(1H-indole-2-carboxylate) (D32DMBC) samples are fully grown-up in a proper and in a successful manner by the prevailing slowly evaporating methodology. The lattice cell frameworks by XRD modus operandi also corroborated that the D32DMBC crystal system is monoclinic in nature. The structural properties by a conceptual way authenticate the elucidation and also the proper vindication for bond parameters. The nano influx is 3.2768 micron and the film-coated influx of 2.9977 microns as a mid-value between the macro as well as the nano assessment is suitable for electronic filters by D32DMBC crystals, and also used for tribological-coated utility as well as in frequency multipliers. Diabetes mellitus is the repetitive disease in the way of life and sustaining approach of D32DMBC — organic crystals are properly, accurately experimented by the use of the software pertaining to the D32DMBC by docking effect. The affinity inhibitory activity of A74DME and exploratory molecule of D32DMBC are [Formula: see text]8.1[Formula: see text]kJ/mole and [Formula: see text]8.4[Formula: see text]kJ/mole correspondingly. The computational effect of Hirshfeld portrays the internal/external fields as well as the electron higher/lower profile in the shape index proviso for optical utility identification and proper electronic utility.

2′-Chloro-4-methoxy-3-nitrobenzil (CMNB) crystals are grown by solution growth method, and organic crystalline materials are utilized due to their enhanced applications as frequency multipliers, phase matched equipments, etc. CMNB is utilized in electronic and mechanical sectors based on the filter, fluorescence (FL), tribological and also by NLO studies. The single crystal X-ray diffraction (XRD) of CMNB shows the formula as C15H10ClNO5 and the lattice parameters are a = 7.8560 A, b = 8.1005 A, c = 12.4964 A, α = 74.90°, β = 74.81°, γ = 68.59°, crystalline system is triclinic, space group as Pī. Here, the crystals are analyzed with XRD, CHNSO, fluorescence (FL), filter influx, NLO, hardness and photoconductivity nature and also for fabricated device stress analysis methods by surface interaction tool as a mechano utility in instrumental industries.

Spherical nanoparticles of zinc oxide (ZnO NPs) have been successfully synthesized through domestic microwave oven-supported solvothermal method by using Allium cepa (Onion) and Raphanus sativus (White Radish) extracts as reducing and capping agent. X-ray powder diffraction confirms the formation of single-nanocrystalline wurtzite-type structure. SEM observations reveal spherical-shaped particles at the nanoscale, while the purity and chemical composition have been confirmed by EDAX analysis. The dielectric study confirms that the dielectric constant and dielectric loss of ZnO nanoparticles decrease with the increase in frequency while increase with the rise in temperature, signifying that the space charge contribution plays a key role in the charge transport process and polarizability. Interestingly, magnetic measurements indicate that the diamagnetic bulk ZnO undergoes magnetic transition into paramagnetic with the presence of a weak ferromagnetic component associated with oxygen vacancies.

Diethyl 3,3′-[(2,4-dichlorophenyl) methylidene]bis(1H-indole-2-carboxylate)-(D32DMBC) crystals are grown by slow evaporation method; the good optical quality colorless single-crystalline materials of the title compound were acquired with 93% yield. The crystals are subjected to XRD, NLO-SHG, UV–Vis, FTIR, thermal, dielectric and also the computational studies, respectively. The XRD study confirms the monoclinic nature of the specimen, the FTIR spectrum gives the functional groups in the D32BMBC crystals and the cut-off wavelength as observed from the absorption spectrum is 340 nm; the bandgap is found to be 3.65 eV for D32DMBC from the Tauc’s plot and also is 1.15 times of SHG effectiveness than that of KDP. The D32DMBC crystal can retain quality up to 145 °C and can be designed for NLO applications. The very high value of er of D32BMBC at lower frequencies is due to the space charge polarization and also computational representation of the sample is studied and reported.

The present investigation is focused on the macro and nanocrystals of 4-(4-chlorophenyl)-7,7-dimethyl-7,8-dihydro-4H-1-benzopyran-2,5(3H,6H)-dione (CPDMDHHBPHHD), its synthesis, and the various characterization and comparative studies performed to assess its applications. Nanocrystals were prepared by milling procedure and its evaluation and utility than macro-sized entitled crystals were thoroughly discussed. The single crystal XRD study reveals the macro-crystalline lattice parameters with the empirical formula as C17H17ClO3 and a = 11.9005 A, b = 5.7971 A, c = 22.608 A and β = 93.97°. The crystal system is monoclinic with space group P21/n. The nanoform of entitled crystals specimen are of 16 nm of size. Characterization studies for macro- and nano-scaling such as dielectric, fluorescence (FL), photoconductivity, tribological study, and nano influx for filters were performed and reported. From the present study, it could be concluded that CPDMDHHBPHHD crystals are known to be best for electronic filters, frequency doubling circuits, second harmonic generation (SHG) efficiency, and nano level influx value which is useful for opto-electronic applications.

A simple domestic microwave oven-assisted solvothermal method has been used successfully to synthesize spherical nanoparticles of zinc oxide (ZnO NPs) for solar cell fabrication using Azadirachta indica (Neem) leaves extract as both capping and reducing agent. The hexagonal structure of ZnO nanoparticles was confirmed by X-ray powder diffraction analysis. The Fourier-transform infrared spectrum confirms the presence of Zn–O stretching vibrations. High-resolution transmission electron microscopy images have exhibited the spherical morphology of ZnO nanoparticles which has clearly illustrated the average particle size around 4.2 nm. The selected area electron diffraction pattern contains well uniform rings confirming standard orientation. The maximum absorption wavelength for the synthesized ZnO nanoparticles was found to be more than 352 nm. The electrical measurement demonstrated that the values of dielectric constant and dielectric loss gradually decrease with increase in frequency which is described by the basis Maxwell–Wagner model. The ac conductivity of ZnO nanoparticles was also carried out. The solar cell fabrication of ZnO nanoparticles and photovoltaic devices were displayed. It was further confirmed that smaller size of ZnO nanoparticles was synthesized which had shown better cell efficiency.

ZnO nanoparticles are successfully prepared via eco-friendly synthesis using Azadirachta indica leaves extract with microwave assisted solvothermal method using a domestic microwave oven. The structure of green synthesized ZnO NPs and lattice parameters were confirmed using powder X-ray diffraction. Scanning electron microscopy and energy dispersive X-ray analysis exhibit the morphology and elemental analysis of the green synthesized ZnO NPs. The photoconductivity study reveals the positive photoconductive nature of ZnO nanoparticles.

An organic nonlinear optical l-threoninium tartrate (LTT) single crystal was successfully grown by slow evaporation method using de-ionized water as solvent. The orthorhombic structure and non-centrosymmetric space group of P2221 of the grown LTT crystal was confirmed using single crystal X-ray diffraction analysis. The various functional groups and bonding nature of the LTT crystal were realized using FT-IR spectroscopic analysis. The linear optical behavior is examined using UV–Visible spectroscopy revealing the absences of absorbance in the wavelength region of 230–1100 nm. Tauc’s relation is employed to obtain the optical band gap and it is found to be 6.4 eV. The optical parameters like extinction coefficient (K), reflectance (R) and refractive index (n0) are also calculated for the grown LTT crystal. With respect to the frequency and temperature the dielectric constant and dielectric loss were estimated. The Vickers hardness number (Hv), Meyer’s index (n), yield strength (σr), elastic constant (C11), fracture toughness (KC) and Brittle index number (Bi) were calculated using the micro-indentation test. Thermo-gravimetric (TG) and differential thermal (DT) analysis confirm the single stage decomposition and 257 °C melting point of the titular crystal. The exact melting point of the crystal is found to be 268 °C using auto melting point apparatus. The layer growth with 2D nucleation mechanism and less dislocation is confirmed by chemical etching analysis. The surface quality of the titular crystal was studied using laser damage threshold (LDT) measurement and it is found to be 6.57 GW/cm2. Kurtz and Perry method was employed to estimate the second harmonic generation efficiency of the titular crystal and is found to be 2.91 times greater than the KDP crystal. The χ(3), n2 and β of the titular crystal was estimated using Z-scan technique and they are found to be 7.1368 × 10−10 (esu), 0.8466 × 10−12 (cm2W−1) and 3.734 × 10−6 (cmW−1) respectively. Reverse saturable absorption observed in open aperture Z-scan indicates the suitability of titular crystal for optical limiting application. Keywords: Crystal growth, Optical properties, Dielectric, Laser damaged threshold, Third order nonlinear optical studies

A new mono(bis(2-(4-butylphenyl)imino)methyl)phenoxy)zinc(II)dichloride (MBPMP) single crystal was grown by slow evaporation technique in ethanol. Single crystal XRD studies confirm that the MBPMP crystal is mononuclear, with tetragonal coordination geometry and P41212 noncentrosymmetric space group. The FT-IR spectral analysis was used for identifying the functional groups and bonding nature present in the MBPMP crystal. The UV–Visible-NIR studies reveals that the MBPMP single crystal exhibits a very broad transparency window in the near infrared and visible regions between 220 to 1200 nm and the optical transparency of the MBPMP crystal is 99.49% with the lower cut-off wavelength of 220 nm. The optical energy band gap evaluated from the transmission spectrum was found to be 5.63 eV. The Vickers microhardness number [1.8544 P/d2 kg/mm3] and the work hardening coefficient number (n = 2.326) indicates that the MBPMP single crystal is soft natured. TGA/DSC analysis of the title coordination compound indicated that there is no weight loss up to 209 °C indicating that the grown MBPMP crystal is thermally stable up to 209 °C. MBPMP single crystal exhibits lower dielectric constant and lower dielectric loss at higher frequencies indicating good quality optical crystal. The second harmonic generation efficiency of the MBPMP crystal by using Kurtz’s powder technique employing Q-switched Nd: YAG laser found that the intensity of bright green light emission is 1.2 times greater than that of standard KDP crystal. The laser damage threshold value of the MBPMP single crystal was calculated to be 3.86 GW/cm2.

In this present work, flower-like Copper Oxide (CuO) has been successfully synthesized by facile hydrothermal method. The as-prepared sample has been characterized by using Powder X-ray diffraction (PXRD), Raman spectroscopy, Fourier Transform Infrared spectroscopy (FTIR), UV–Visible absorption spectroscopy and Field Emission Scanning Electron Microscopy (FESEM). PXRD and Raman spectroscopy analysis revealed the pure phase monoclinic structure of CuO. Flower-like morphology of the sample was confirmed by the FESEM analysis. The obtained band gap value from UV–Visible spectrum was found to be 1.4 eV. The results obtained for the photodegradation percentage of the model pollutants such as crystal violet and methylene blue shows 79.08% and 89.09% respectively after 180 min under UV light illumination.

An optically good quality semiorganic single crystal of l-threoninium phosphate (LTP) was grown by solvent evaporation technique at room temperature. Single and powder XRD revealed the orthorhombic crystal structure of LTP with non-centrosymmetric space group Pna21. Linear optical behaviour of the title crystal was realized using UV–visible spectroscopy. The lower cut-off value was found to be 200 nm with broad optical transparency in entire visible region. Functional group and its bonding nature in the titular compound are explored by FTIR spectroscopic analysis. The LTP is thermally stable up to 241 °C and deferent level of decompositions with respect to temperature was analyzed using TG/DTA. Mechanical properties of LTP were studied using Vickers’ microhardness tester. The fracture toughness (Kc), Knoop hardness (Hk), brittleness index (Bi) and elastic stiffness constant (C11) of LTP were calculated using micro-indentation data. Laser damage threshold value of LTP was found to be 4.92 GW/cm2 which is convincingly high to use the crystal in lasing applications. The second harmonic generation efficiency of LTP is 2.1 times greater than the conventional KDP crystal. The nonlinear refractive index (n2), the nonlinear absorption coefficient (β) and third-order nonlinear susceptibility (χ(3)) of the title crystal was found to be 1.19 × 10−15 m3/W, 4.742 × 10−9 m/W and 5.382 × 10−14 m/W (esu) respectively. The single beam Z-Scan unit equipped with 532 nm continues wave laser was used to measure the third-order nonlinear optical parameters of grown crystal.

A sensitive electrochemical sensor has been developed based on reduced graphene oxide/Co3O4 (rGO/Co3O4) nanocomposites (NCs) synthesized by a facile solvothermal method. The developed sensor was used to determine the Dopamine Acid (DA) and Uric Acid (UA). The structure, morphology, band gap and composition of NCs was characterized by powder X-ray diffraction, scanning electron microscope, UV–Vis-Diffuse reflectance, FT-IR, Raman and Energy Dispersive Spectroscopy. rGO/Co3O4 NCs exhibited better electrocatalytic activity for the oxidation of DA and UA in solution with phosphate buffer at pH 7.0. For individual determination, the oxidation peak currents were linearly increased with the concentration of DA and UA in the ranges of 0.5–10 μM and 100 μM–1 mM, respectively. The detection limit of DA and UA was estimated to be 0.176 μM and 1.31 μM, respectively, with (S/N = 3). The fabricated modified electrode displayed an excellent anti-interference ability against 100-fold higher concentration of potential interferent species and metal ions with good stability and reproducibility. Results show that the developed sensor has a potential to determine the target analytes in real samples with satisfactory efficiency.

In the present investigation, we report an efficient, direct, one-pot synthesis of mononuclear, mono(bis(2-(4-butylphenyl)imino)methyl)phenoxy)zinc(II)dichloride complex (C34H38Cl2N2O2)Zn in ethanol. The synthesized coordination compound was subjected to crystal growth by repeated recrystallization in ethanol at ambient temperature. The title compound was thoroughly characterized by 1H NMR, 13C NMR, FT-IR and Mass spectral studies. The crystal structure of the Zinc complex was established by single crystal X-ray diffraction studies. The title compound is mononuclear, with tetragonal coordination geometry and P41212 space group stabilised by intermolecular (C H…Cl) and intramolecular hydrogen bonding (N-H…..O). The zinc coordination complex exhibits photoluminescence property with strong emission at 525 nm in the green region. The molecular docking studies by using Gold suite software reveal that the Zinc complex has strong binding affinity towards α-glucosidase enzyme with Goldscore of 83.76 and forms two hydrogen bonds (LEU208, TRY2) with bond length (3.31, 3.73 A) and one electrostatic bond (LYS 208) of bond length (4.51) with the target enzyme. Mono(bis(2-(4-butylphenyl)imino)methyl)phenoxy)zinc(II) dichloride complex exhibited IC50 value of 3.0454 ± 0.010 µM as compared to standard acarbose (IC50 = 0.5414 µM). Thus the title zinc complex is a promising candidate for α-glucosidase inhibition after necessary biological and pharmaceutical investigations.

Reduced graphene oxide (rGO) is synthesized using strong oxidizing agents with the help of chemical reduction method. Structural and physiochemical properties of the prepared sample are studied by ultraviolet-visible spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD) and scanning electron microscopy (SEM). UV-Vis spectra of GO exhibit maximum absorption peak attributable to restoration of sp 2carbon. Electrochemical study performed for bare and rGO modified glassy carbon electrode. Electrochemical sensing of Dopamine (DA) and Uric Acid (UA) was examined by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and square wave voltammetry (SWV) were conducted in phosphate buffer solution (PBS) at pH = 7.0 done for both simultaneous and individual determination of DA and UA in the range of 500nM – 1mM exhibit a wide linear range of detection and having low limit of detection (LOD) of 0.67µM for DA, and 0.69µM for UA estimated for simultaneous determination and in individual determination it was found to be 0.51µM and 0.42µM for DA and UA respectively. Additionally, the modified electrode exhibits good reproducibility, selectivity, sensitivity and stability. The proposed sensor could be applied for the determination of DA and UA in real samples.

Seaweed extracts have been used to synthesize silver nanoparticles (Ag-NPs) as they offer many benefits and utilities. The use of biological materials in nanoparticles synthesis is preferred as they are eco-friendly and compatible for pharmaceutical and other biomedical and therapeutic applications. As the number of applications of NPs increases, assessment of the risks posed by NPs is important and it has developed into an area of research itself. Metallic nanoparticles have different applications such as in electronics, catalysts and photonic applications. Silver metal has toxicity against a wide range of micro organisms especially silver nanoparticles which has promising antimicrobial properties and other bio utilities. Silver nanoparticles are effective as anti-inflammatory, anti-angiognesis, antiviral and anti-platelet activity against cancer cells. The Ag-NPs synthesized were from the aqueous extracts of seaweeds and were characterized by using spectral analysis as a perspective tool. The effect of the synthesized silver nanoparticles on the isolated soil microbes were assessed by different assays such as Calorimetric chowder assay and Agar diffusion assay. The effect of synthesized Ag-NPs on earthworm was also studied by examining its morphology and histology. The toxicity of the combined seaweed-AgNPs against HeLa carcinoma cells has been analyzed. Also the Ag-NPs are studied with Fluorescence—FL activity with band gap in eV.

Machine learning is making waves in- Energy Industry. The combination of Internet of Things (IOT) and big data leads to large collection of data which can be used for getting some insights and take intelligent decision using machine learning algorithms. Load prediction ensures the higher performance of opera-tion of Smart grid besides providing uninterrupted power supply to the consumer. In this paper Machine Learning algorithms are implemented for accurate load forecasting as it optimizes various deci-sion making to improve the efficiency of operation in smart grid. ML algorithms such as Neural Networks, Radial Basis Function (RBF), Decision Tree Regres-sion (DTR) and Random Forest are implemented in TensorFlow for load forecasting and comparison is made.

Novelty of the present work is to investigate the efficiency of the antireflection property of green mediated synthesized plasmonic nanoparticle coated monocrystalline silicon (Si) solar cell. Green mediated synthesis of plasmonic silver (Ag) nanoparticles (NPs) was carried out using three different leaves extracts (Eucalyptus glopus, Azadirachta indica and Coriandrum sativum) and reported for the first time. The face centred cubic structure, crystalline nature and purity of the synthesized material were confirmed by powder X-ray diffraction studies. Fourier transform infrared spectrum shows the presence of various functional groups in the resultant material. The maximum absorbance observed around 400–460 nm reveal the characteristic absorbance of Ag NPs. The surface morphology of the synthesized Ag NPs was analyzed using atomic force microscopy. Ag NPs were coated as antireflective material on the monocrystalline Si solar cell surface and its performance was evaluated from the corresponding JV characteristics. The obtained photovoltaic performance was compared with bare Si for comparison purpose and it is observed that there is an enhanced performance in the photo-conversion efficiency of the Si solar cells.

In this work, based on the two-step synthesis ZnO/Ag and ZnO/Au core/shell nanocomposites (CSNCs) were developed and reported the structural, optical and electrical properties. The core material of the ZnO nanoparticles (NPs) was prepared by a simple hydrothermal route, where sodium hydroxide (NaOH) acts as reducing agent. In the ZnO/Ag and ZnO/Au CSNCs material, Ag and Au NPs act as the shell material and used for subsequent nucleated growth on the surface of ZnO NPs by using cationic surfactant Cetyl Tri-methyl Ammonium Bromide (CTAB). The FCC structure for Ag and Au material and the hexagonal wurtzite structure for ZnO material were analyzed by Powder X-ray Diffraction (PXRD) analysis. The presence of oxygen vacancies and Zn interstitials were confirmed by FT-Raman analysis and the functional groups were identified by Fourier Transform Infrared Spectroscopy (FTIR) analysis. The structural defects and charge distribution of the ZnO/Ag and ZnO/Au CSNCs was studied by Photoluminescence (PL) spectroscopy. The morphological studies of ZnO/Ag and ZnO/Au CSNCs were determined by using TEM analysis. The low value of dielectric constant and the dielectric loss obtained in both the material shows that the materials can be used for the various electronic device fabrication and also a small amount of activation energy observed for a higher frequency from ac conductivity measurements supports the materials to be used for the various electro-optic applications.

Bulk growth of (010) oriented Sodium Potassium Tartrate Tetrahydrate (SPTT), a Nonlinear Optical single crystal was grown by solution growth technique in uniaxial and conventional methods. Opticall...

In the present work, zinc oxide (ZnO) nanorods (NRs) were prepared by a simple Microwave-assisted hydrothermal synthesis route by using a 100 ml Teflon container. The structural, crystalline nature and purity of the synthesized material was studied by powder X-ray diffraction studies. The optical absorption wavelength observed at 368 nm has been shifted to 377 nm during hydrothermal synthesis of ZnO NRs. The shifting of wavelength reduces the energy band gap from bulk state of 3.52–3.32 eV during the Microwave-assisted hydrothermal process. There is no shift in peak observed in photoluminescence spectrum between ZnO NRs and ZnO nanoparticles (NPs) but increase in temperature increases the Deep Level Emission (DLE) intensity due to the loss of oxygen during the hydrothermal process. The FTIR analysis confirms the presence of various functional groups in the ZnO NRs and NPs. The elemental, shape and surface morphology of the ZnO NRs and NPs were determined by using EDAX and FE–SEM analysis. The surface properties of ZnO NPs and ZnO NRs were studied by BET analysis. Thermal stability of the material was increased from 180 to 277 °C after the hydrothermal synthesis. The zeta potential analysis reveals the stability of the synthesized ZnO nanostructures. The variation of dielectric constant, dielectric loss and ac conductivity with frequency for the various temperatures was measured and discussed the suitability of the material for the electronic device fabrication.

2-Naphthol substituted Mannich base 1-morpholino(phenyl)methyl)naphthalen-2-ol (MPMN), a potential NLO active organic single crystal was developed using acetonitrile as a solvent by slow evaporation method. The experimental and theoretical analysis made towards the exploitation in the field of electro-optic and NLO applications. The cubic structure with non-centrosymmetric space group Cc was confirmed and cell dimensions of the grown crystal were obtained from single crystal X-ray diffraction (XRD) study. The formation of the C N C vibrational band at 1115 cm−1 in Fourier Transform Infra-Red (FTIR) analysis confirms the formation of MPMN compound. The placement of protons and carbons of MPMN were identified from Nuclear Magnetic Resonance Spectroscopy (NMR) analysis. The wide optical absorption window and the lower cutoff wavelength of MPMN show the suitability of the material for the various laser related applications. The presence of dislocations and growth pattern of crystal were analyzed using chemical etching technique. The Second Harmonic Generation (SHG) of MPMN was found to be 1.57 times greater than the standard KDP crystal. The laser damage threshold was measured by using Nd: YAG laser beam passed through the sample and it was found to be 1.006 GW/cm2. The electronic structure of the molecular system and the optical properties were also studied from quantum chemical calculations using Density Functional Theory (DFT) and reported for the first time.

This paper deals with a Dynamic, Distributed Energy Management in a Smart Micro-grid. At present, the energy management is done using a system called SCADA (Supervisory Control and Data Acquisition). This paper advocates the application of Multi Agent System for dynamic energy management. Economic and environment optimization is implemented by choosing the least cost renewable resource available at that time. The outcome of this paper is to show that MAS based control architecture can be used to optimize the energy management in a microgrid. Machine learning has been used for load forecasting and to improve the efficiency of the power grid and create a smooth operating environment.

Organic 2-naphthol derived 1-((4-methylpiperazin-1-yl)(phenyl)methyl)naphthalen-2-ol Mannich base non linear optical single crystal was synthesized and crystallized successfully to investigate the suitability of the material for electro-optic device applications. Acetonitrile was used as a solvent to develop optically good quality single crystal. Slow evaporation technique was employed at room temperature. Single crystal X-ray diffraction confirms the existence of non-centrosymmetric nature of the grown crystal. The nonlinear optical property was tested by Kurtz and Perry powder technique and the SHG efficiency of MPN was found to be 1.03 times than standard KDP. The PL spectrum of MPN shows blue light emission which confirms the material as potential candidate for the opto-electronic applications. The load dependent hardness was measured by Vickers’ microhardness test and various parameters such as yield strength, stiffness constant were calculated and reported. The dielectric constant and dielectric loss were measured as a function of frequency for different temperatures. The low dielectric constant and dielectric loss confirms the lesser defects and quality of the grown crystal. A fraction amount of activation energy obtained from ac conductivity measurement is an added advantage for electro-optic device fabrication. The dark current of MPN that leads the photo current shows the negative photo conducting nature of the material which may be due to the reduction of charge carriers.

The novelty of this present work is the investigation of the anti-bacterial, anti-arthritic, anti-oxidant and in vitro cytotoxicity activities of green synthesized Zinc Oxide Nanoparticles (ZnO NPs) using leaf aqueous extract of Tectona grandis (L.). Zinc nitrate acts as the precursor and the leaf extract acts as the reducing agent. The synthesized ZnO NPs are characterized by powder X-ray diffraction (PXRD) analysis and the crystalline size is calculated by the Scherrer formula. FTIR analysis confirms the presence of various functional groups in the leaf extract as well as in the NPs. The UV absorption peak is observed at 360 nm and the calculated energy band gap is found to be 3.4 eV. Dynamic Light Scattering (DLS) analysis shows the stability and particle size of the synthesized ZnO NPs. The crystalline size, shape and surface morphology of the ZnO NPs are determined by using Field Emission Scanning Electron Microscopy (FE-SEM). Green synthesized ZnO NPs exhibited interesting antibacterial activity against Gram-positive and Gram-negative bacteria and exerted excellent DPPH (di(phenyl)-(2,4,6-trinitrophenyl)iminoazanium) free radical scavenging activity. They also showed maximum inhibition of protein denaturation (90.46 ± 0.02) and proteinase inhibitory activity (87.68 ± 0.03) at a dose of 200 μg ml−1 respectively. The anticancer activity of ZnO NPs was also tested against normal and cancer osteoblast MC3t3-E1 cell lines and found a reduction in the size of cancer cells.

Non linear optical single crystals of l-lysine-iodic acid (LLI) of dimensions upto 24 × 14 × 5 mm3 have been grown successfully by slow evaporation technique from aqueous solution. The crystal structure of the grown material was solved by single crystal X-ray diffraction analysis and it was found that the LLI crystal belongs to monocinic system with space group P21. Functional groups of the grown crystal were identified by Fourier Transform Infrared (FTIR) spectral analysis. The UV–Vis spectral analysis was carried out to measure the transparent range of the LLI crystal which is nearly 85% and the band gap energy is found to be 5.51 eV. Thermal stability and decomposition temperature of LLI crystal was found by means of TGA and DTA analyses. The mechanical behavior of the grown crystal has been employed using Vicker’s micro hardness technique. The Second Harmonic Generation (SHG) efficiency of the crystal was investigated and it was found to be 3.2 times of KDP. The particle size dependent SHG studies of LLI crystals were performed using Nd:YAG laser. The laser damage threshold value of LLI crystal is found to be 8.54 GW/cm2. Dielectric study indicates the reasonable dielectric constant and low dielectric loss of LLI crystal which are essential properties to develop optoelectronic devices. The ac and dc electrical conductivity measurements were carried out at various temperatures. Photoconductivity study exhibits the negative photoconductivity nature of the LLI crystal and the results are discussed for the first time.

The second order nonlinear optical material and the single crystal of 2,5-Dimethyl-N-(3-phenylprop-2-en-1-ylidene) aniline (2,5 DPPA) which is organic in character was well synthesised by the standard slow evaporation method. The crystalline structure of 2,5 DPPA studied by single crystal XRD analysis confirmed that the material belongs to the orthorhombic crystal system with non-centrosymmetric space group P212121. Functional groups were analyzed by Fourier transforms infrared analysis. The calculated optical band gap was found to be 2.76 eV. The second harmonic generation of 2,5 DPPA crystal was confirmed by Kurtz–Perry powder test using the source of Nd:YAG laser and found that it is 1.25 times greater than that of reference KDP material. Thermal stability of the titled crystal was studied by TGA/DTA technique. The Vicker’s hardness (Hv) test portrays that the mechanical resistance of the crystal’s hardness coefficient value is 2. The dielectric constant and dielectric loss of the grown crystal decreases with increase in array of the line of value of the frequencies.