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Background: The analysis of variance (ANOVA) for all characters of dolichos bean genotypes was carried out separately. The analysis of variance, test of significance of variance components were conductedin accordance to the procedure as suggested by Panse and Sukhatme (1967). Correlation and path coefficient analysis were evaluated as per the formulation of Al-Jibouri et al. (1958) and Dewey and Lu (1959), respectively. Methods: Present investigation was conducted in two locations viz. Vegetable Research Farm, Pusa and Birauli, Dr. Rajendra Prasad Central Agricultural University, Bihar during Rabi season in 2019-2020 and pooled data was analyzed. The entire experiment was conducted using fourteen genotypes of dolichos bean in RBD in three replications and fourteen yield attributing and morphological traits were studied. The performance of genotypes was evaluated on the basis of all fourteen characters. Best performing genotypes were screened based on their performance. Selection has been done for all characters which are positively and directly correlated with yield. Result: Among the fourteen genotypes it has been inferred that RAUDB-2 and RAUDB-7 had maximum pod yield. Therefore, they can replace the check variety Swarna Utkrist. The magnitude of genotypic correlation was higher than phenotypic correlation for all the traits indicating inherent associations between various characters. The traits such as pod diameter, number of pods per plant and harvest duration positively correlated with pod yield.In present investigation the path analysis revealed pod length, days to 1st flowering, days to 50% flowering and number of seeds per pod exerted positive direct effect on pod yield.

The application of a mixture of pesticides to the agricultural field may adversely affect the health of non-target organisms besides the target ones. In the present study, the antagonistic effect o...

Background: Dolichos bean is an important leguminous vegetable having a wide range of variation in different quantitative characters. Assessing genetic diversity among dolichos bean accessions can ensure development of suitable high-yielding and adapted varieties with suitable maturity period. Methods: Fifteen genotypes were evaluated for different characters in Dolichos bean at two locations of Dr. Rajendra Prasad Central Agricultural University viz. Vegetable Research Farm, Pusa and Krishi Vigyan Kendra, Birauli, Samastipur, Bihar during the year 2018-19 and pooled data was analyzed. The genotypes were evaluated for genetic variability and genetic divergence for 14 characters. For the assessment of genetic diversity among the fifteen genotypes of dolichos bean, Mahalanobis (D2) statistic (Mahalanobis, 1936) was used, following the procedure given by Rao, 1952. Grouping of genotypes into clusters was done using Tocher’s method as described by Rao, 1952. Result: Phenotypic Coefficient of Variation (PCV) was slightly higher than Genotypic Coefficient of Variation (GCV) for all the characters indicated that the characters were less influenced by environment. The characters having high heritability and high genetic advance include harvesting duration, number of pods per plant, pod length, pod diameter, individual pod weight, weight of seeds per pod, 100 fresh green seed weight, pod yield and percent incidence of yellow mosaic virus. Therefore, selection for above characters is highly effective. Genetic diversity analysis evaluated that all genotypes could be placed into 6 clusters. Genotypes grouped in Cluster III and I have highest mean value for all characters as well as highest inter-cluster distance.

Industrial revolution is a good indicator of economic development of a country; however, it can be a threat to the flora and fauna if the untreated effluent of an industry is discharged. The present study is aimed to assess the comparative toxicological impacts of treated and untreated industrial effluents on acetylcholinesterase (AChE) activity in Heteropneustes fossilis and Labeo rohita, the most common edible fishes having diverse characters which include differences in morphology, habitat, food and feeding, etc. The physico-chemical parameters such as pH, electrical conductivity (EC), alkalinity, hardness, dissolved oxygen (DO), phosphate, sulphate, nitrate, free ammonia, chloride, zinc, iron, chromium and potassium of both untreated and treated effluent from the fertilizer industry were also analyzed as these parameters were not in range as per ISO guidelines. The LC50 value for untreated effluent was 2.34% (v/v) and 0.80% (v/v) for 96 h in H. fossilis and L. rohita, respectively, while no mortality was recorded in the treated effluent. The AChE activity in both fish species was found to decline in metabolically responsive organs like brain, muscle and gills through exposure to sub-lethal concentrations (1/15th, 1/10th and 1/5th of LC50 value) of the untreated effluent for 96 h. Further studies on biochemical and molecular aspects may reveal the mechanism of their action.

The acute toxicity of three formula grade pesticides namely, triazophos (an organophosphate, OP), deltamethrin (a pyrethroid) and combined pesticide (triazophos + deltamethrin) was determined in ea...

Recurrent application of chemical pesticides in the agricultural fields have adverse impact on flora and fauna of soil ecosystem. Earthworms immensely contribute in increasing the fertility of soil. They may act as a bioindicator for the ecotoxicological analysis of pesticide induced soil pollution. Earthworms, Eudrilus eugeniae were exposed to different concentrations of pesticides chlorpyrifos (OP), cypermethrin (a pyrethroid) and their combination for 48 h by paper contact toxicity method. The LC50 for commercial grade of chlorpyrifos, cypermethrin and combined pesticides were determined as 0.165, 0.066 and 0.020 μg/cm2, respectively. To assess the sub-lethal effect of these pesticides, E. eugeniae were exposed to 5% and 10% of LC50 of the pesticides for 48 h. Variation in morpho-behavioural changes such as coiling, clitellar swelling, mucus release, bleeding and body fragmentation in earthworms were observed after exposure of both pesticides and their combination. Various biochemical estimations such as specific activity of acetylcholinesterase (AChE), superoxide dismutase (SOD), catalase (CAT), glutathione -S-transferase (GST); levels of lipid peroxidation (LPO) and reduced glutathione (GSH) were carried out in different body segments. Significant changes in these stress markers were observed at low and high sub-acute concentration of pesticides exposed earthworm, Eudrilus eugeniae. Such changes indicate potential health risk to E. eugeniae if exposed to the high concentrations of these pesticides accumulated in soil. Keywords: AChE activity, Stress markers, Chlorpyrifos, Cypermethrin, Chlorpyrifos + Cypermethrin, Eudrilus eugeniae

Irrational use of dye is a challenge for our environment specifically for clean water. Highly luminescent SnO2 decorated Polystyrene nanocomposites developed as an effective solution for it. The low cost chemical synthesis of highly luminescent tin oxide decorated Polystyrene (SnO2-PS) polymer nanocomposites using recyclable expended polystyrene waste has been reported. Sol gel grown tin oxide nanoparticles, thoroughly dissolved in dissolved in toluene were used with recyclable expended polystyrene waste. The composites were grown either on glass substrates or developed as flexible self sustaining layers and characterized by optical, structural & morphological characterizations. X ray diffractograms of SnO2-PS polymer nanocomposites exhibit crystalline behavior with tetragonal structure of SnO2. Accumulation of SnO2 particles on the surface with increasing concentration, in the form of spherical structures is observed in AFM micrographs. Hollow vertical chain like growth is also observed. Absorption edge shift towards higher wavelength results in decrease in band gap with increasing concentration. The Photoluminescence (PL) spectra for higher SnO2 shows a significant peak peaks in visible spectra at about 425 nm. SnO2 decorated Polystyrene nanocomposites synthesized using recyclable expended polystyrene waste opens a new scope in flexible optoelectronic applications with visible region photoluminescence.

Objectives: COVID-19 was announced as a global pandemic by World Health Organization (WHO) owing to its highly contagious and pathogenicity that has been rapidly spreading throughout the world since its first reported outbreak in China in December, 2019.The aim of this study was to estimate the basic reproduction number (R0) and forecast the situation to understand the future transmission dynamics of the COVID-19 outbreak at a district level. Study design: Retrospective cohort study. Methods: We used two data sources for the study. Firstly, contact history of laboratory confirmed SARS-CoV-2 infected individuals & Secondly, the publicly available daily case count data were used together by applying approach named population level model (PLM) for estimating R0 and project the size of the epidemic over the next 365days as per SIR model with help of python. Results: The peak of the R0 = 2.3 was attained in the month of September 2020. Then subsequent reduction toward the end of September can be attributed to aggressive testing, more contact tracing, and isolation measures implemented in the Rewa district during that month so currently in month of November up to 22nd R0=1.8 reported according to our study. Conclusions: Combination of Public health measures such as social distancing, rigorous contact tracing & testing, and isolation of contacts and the vulnerable should be effective to reduce the instantaneous R0 value and could thereby reduce the final outbreak size. Funding Statement: There is no source of funding/ sponsor for this study. Declaration of Interests: There is no conflict of interest. Ethics Approval Statement: Ethical clearance was obtained from Institutional Ethical Committee.

The bisphenol A diglycidyl ether-polyaminoamide (epoxy resin)–graphene oxide (GO) nanocomposites have been prepared by chemical methods. The aim of this study is to produce epoxy –GO coatings on Aluminum Alloy 7075 and study the anticorrosion properties. Thin films have been characterized by scanning electron microscope – Energy Dispersive X-rays Spectroscopy (EDX) and Raman spectra. Raman spectra show the successful bonding of GO functional groups with epoxy. The composition of epoxy and GO is characterized by EDX. The Tafel plots were undertaken for analysis of corrosion of coating material. Therefore, the reduction of corrosion current of epoxy–GO nanocomposites coated Al alloy 7075 show its superior corrosion resistance properties. This is further confirmed by electrochemical impedance spectroscopy and potentiodynamic polarization. The very high value of low frequency impedance modulus (i.e. 1010 Ω cm2) shows surprising anticorrosive effect on coating. The epoxy–GO spin coating in Al Alloy 7075 is significantly reduces the corrosion current density ( Icorr) and corrosion rate due to anticorrosion properties of GO.

The main focus of this article is the reliability and aging of the 6T (SRAM) Static random access memories. From many days of the SRAM circuit have been used, so consider its reliability and aging factor. In this paper reliability and aging are performed under the parameters of (HCI), (NBTI) and (PBTI). Fidelity is an impetus creation in the SRAM-consuming cycle because it expands the footprint of every specific MOSFET and corral in relation to the source. With more robust findings, reliability has displayed thater affect of a individual transistor activate to poor performance of the 6T SRAM and ultimately leads to damage

A study was conducted during the Kharif season of 2016-17 divulged the beginning of white fly infestation was recorded in the 5th week of July and reached a peak level 10.93 N and A /plant in the 4th week of August and aphid infestation was recorded in the 2nd week of August and reached a peak level 12.40 N and A /plant in the 2nd week of September. Correlation coefficient values for white fly and aphid population incidence and weather parameters showed that maximum and minimum temperature had positive influence while maximum and minimum relative humidity besides rainfall had negative influence on both the pest population. The incidence of ten species of insect pests and six species of natural enemies on the crop from germination to harvesting stages. Out of these insect pests six sap feeder; two defoliator; one stem feeder and one flower feeder were observed to infest in the urdbean. Therewith, six species of natural enemies were observed in the black gram variety T-9 under the agro-climatic condition of district Rewa. Evaluate the efficacy of Flubendiamide 24 % + Thiacloprid 24% SC 200 ml/ha, Flubendiamide 39.35% SC 125 ml/ha, Thiacloprid 21.7% SC 250 ml/ha, Chlorantraniliprole18.5% SC 160 ml/ha, Flubendiamide 24 % + Thiacloprid 24% SC 250 ml/ha, Quinalphos 25% EC 1500 ml/ha, Thiomethoxam 25% WG 125 g/ha and Emamectin benzoate 5% SG 220 g/ha against the Bemisia tabaci and Aphis craccivora. Thiacloprid 21.7% SC was found significantly most effective against white fly while, Thiomethoxam 25% WG was found significantly most effective against aphid.

Graphical abstract, Highlights • The pesticides have adverse effect on the health of aquatic biota including fishes. • Comparative acute toxicity of both pesticides was determined in the present study. • Both pesticides have affected the behavioural activities of C. punctatus. • Alteration of behavioural patterns may be due to strong inhibition of AChE activity. • Triazophos (organophosphate) is more neurotoxic than deltamethrin (pyrethroid)., Pesticides are applied to control the pests indoor and outdoor; however, their remarkable amount reaches to the aquatic system through various routes like run-off, leaching, spray-drift, effluent from factories. These are reported to have negative metabolic impact on different non-target aquatic organisms like fishes. Thus, present study is aimed to evaluate the acute toxicity of two groups of pesticides, organophosphate and pyrethroid, namely triazophos and deltamethrin, respectively. The test was conducted for 96 h period in a freshwater teleost, Channa punctatus. The LC50 values for triazophos and deltamethrin after 96 h treatment was found to be 0.069 mg/L and 7.33 μg/L. The deltamethrin was found to be about ten times more toxic than triazophos to the fish. In treated fish, alterations in various behavioural patterns were observed with increasing concentrations of both the pesticides as compared to control. Further, tissue specific as well as dose dependent inhibition in the acetylcholinesterase (AChE, EC 3.1.1.7) activity was found in brain, muscle and gills in Channa punctatus exposed to both the insecticides. However, the effect was more pronounced in triazophos treated fishes than the deltamethrin. A futuristic approach on biochemical and molecular studies may throw light on the mechanism of action of these pesticides.

Cloud computing has formed the conceptual and infrastructural basis for tomorrow’s computing. The global computing infrastructure is rapidly moving towards cloud based architecture. While it is important to take advantages of cloud based computing by means of deploying it in diversified sectors, the security aspects in a cloud based computing environment remains at the core of interest. Cloud based services and service providers are being evolved which has resulted in a new business trend based on cloud technology. With the introduction of numerous cloud based services and geographically dispersed cloud service providers, sensitive information of different entities are normally stored in remote servers and locations with the possibilities of being exposed to unwanted parties in situations where the cloud servers storing those information are compromised. If security is not robust and consistent, the flexibility and advantages that cloud computing has to offer will have little credibility. This paper presents a review on the cloud computing concepts as well as security issues inherent within the context of cloud computing and cloud infrastructure.

In the present study, the acute toxicity of chlorpyrifos (an organophosphate, OP) and cypermethrin (a pyrethroid) pesticides was estimated for 96 h in Heteropneustes fossilis. The LC50 for ...

Field experiment conducted at College of Agriculture, Rewa, Madhya Pradesh revealed that plant height, number of tillers/m2, leaf area index (LAI), dry matter accumulation (DMA) in plants, Crop growth rate (CGR) and net assimilatory rate (NAR) were higher in plots getting hand weeding twice and with application of 125 kg N/ ha (N3) as compared to lower levels of nitrogen application and other weed management practices, whereas, application of butachlor + dhaincha (1:1) + 1hand weeding had comparatively surpassed other weed management practices. Similarly, yield attributes were significantly higher in hand weeding twice with application of butachlor + dhaincha (1:1) + 1hand weeding .Highest (1.77) net B:C ratio was captured with application of butachlor + dhaincha (1:1) + 1hand weeding and lowest (0.87) under weedy check.

The importance of the earthworms in the agricultural practices is well known. The increasing applications of pesticides and chemicals in the agricultural farms have adversely influenced the flora and fauna of the soil. Earthworms which immensely contribute in increasing the quality and fertility of agricultural soil are reported be worst hit organisms under such conditions. Recent reports have indicated growing interests among researchers to explore biochemical and molecular markers as indicators of accumulation of pollutants in the soil in general and pesticides in particular. The varying levels of several biomolecules in different parts of the earthworm have been reported which are indicative of sensitivity of the organisms to different xenobiotics. However, the existing information lacks the literature displaying stock of information regarding the impact of pesticides on the levels of some key enzymes regulating many crucial functions in the earthworm at one place. Keeping in view this issue, it was envisaged to bring out a mini review which illustrates updated information available on the impact of pesticides on the activities of certain key enzymes reported to be responsible for catalysing metabolic pathways concerning the neurotransmission system, energy metabolism, oxidative stress and amino acids metabolism in different body parts of the earthworms, a prospective bioindicators of pesticides contamination in the soil.

Low stability and higher process parameter variations are the critical issues in SRAM cell in nanometer technology. In this paper, we propose a Schmitt trigger based differential SRAM bit cell to solve scaled technology issue. Schmitt triggers based SRAM cell provides higher read stability and higher process variation tolerance because of its internal positive feedback. This paper proposes a cell with which utilize read-write decouple technique and Schmitt trigger technique to enhance cell acceptability at low technology. To estimate the effect of process parameter variation on stability Monte Carlo simulation are performed using 32 nm predictive-technology-model (PTM) with 30% threshold voltage variations. Proposed cell achieves 1.56 higher read static noise margin compared to the traditional ST-1 and ST-2 cell respectively. In this cell, Sensitivity to process parameter variation is reduced by 5.9× and 2.5× as compared to ST-1 and ST-2 cell. The results indicate that the proposed cell may be a better substitution of other Schmitt trigger based SRAM cell at scaled technology node.

Field experiment were carried out during Kharif season 2016-17 to evaluate the efficacy of Flubendiamide 24 % + Thiacloprid 24% SC 200 ml/ha, Flubendiamide 39.35% SC 125 ml/ha, Thiacloprid 21.7% SC 250 ml/ha, Chlorantraniliprole18.5% SC 160 ml/ha, Flubendiamide 24 % + Thiacloprid 24% SC 250 ml/ha, Quinalphos 25% EC 1500 ml/ha, Thiomethoxam 25% WG 125 g/ha and Emamectin benzoate 5% SG 220 g/ha against the Bemisia tabaci and Aphis craccivora. Thiacloprid 21.7% SC was found significantly most effective against white fly followed by Thiomethoxam 25% WG. While, Thiomethoxam 25% WG was found significantly most effective against aphid followed by Thiacloprid 21.7% SC whereas, Flubendiamide 39.35% SC was the least effective against both the pest.

Among the rice hybrids, PRH-10 recorded significantly highest chlorophyll content, dry matter, LAI, CGR, RGR, NAR, root length, root: shoot ratio and grain yield (9.95 t/ha) over the rest of hybrids followed by NPH-567. The lowest values of these parameters were noted in IR-36. The higher straw yield was recorded (144.8 t/ha) in NPH-567. DOI: http://dx.doi.org/10.3329/bjb.v43i3.21614 Bangladesh J. Bot. 43(3): 359-361, 2014 (December)

The spectroscopic analysis of a newly synthesized 1,9-bis(2-cyano-2-ethoxycarbonylvinyl)-5-(4-hydroxyphenyl)-dipyrromethane (3) has been carried out using 1H NMR, UV–Visible, FT-IR and Mass spectroscopic techniques. All the quantum chemical calculations have been carried out using DFT level of theory, B3LYP functional and 6-31G(d,p) as basis set. Thermodynamic parameters (H, G, S) of all the reactants and products have been used to determine the nature of the chemical reaction. The chemical shift of pyrrolic NH in 1H NMR spectrum appears at 9.4 ppm due to intramolecular hydrogen bonding. TD-DFT calculation shows the nature of electronic transitions as π → π* within the molecule. A combined experimental and theoretical vibrational analysis designates the existence of H-bonding between pyrrole N H as proton donor and nitrogen of cyanide as proton acceptor, therefore, lowering in stretching vibration of NH and CN. To investigate the strength and nature of H-bonding, topological parameters at bond critical points (BCPs) are analyzed by ‘Quantum theory of Atoms in molecules’ (QTAIMs). Natural bond orbitals (NBOs) analysis has been carried out to investigate the intramolecular conjugative and hyperconjugative interactions within molecule and their second order stabilization energy (E(2)). Global electrophilicity index (ω = 4.528 eV) shows that title molecule (3) is a strong electrophile. The maximum values of local electrophilic reactivity descriptors ( f k + , s k + , ω k + ) at vinyl carbon (C6/C22) of (3) indicate that these sites are more prone to nucleophilic attacks.

In the present work, molecular structure and detailed spectroscopic analysis of a newly synthesized dipyrromethane molecule (3) have been carried out using both experimental and theoretical spectroscopic techniques. Thermodynamic parameters (H, G, S) of all the reactants and products are used to determine the spontaneity of the chemical reaction. Time dependent density functional theory (TD-DFT) is used to calculate wavelength absorption maxima (λmax) of various electronic transitions and their nature within molecule. Natural bond orbitals (NBOs) analysis is carried out to investigate the intramolecular hydrogen-bonding, conjugative and hyperconjugative interactions and their second order stabilization energy (E(2)). The effect of hydrogen-bonding is noticeable in both 1H NMR and FT-IR spectrum as down field chemical shift, vibrational red shift, respectively. The vibrational analysis designates existence of classical hydrogen-bonding (N H⋯N) between pyrrole N H as proton donor and N atom of cyanide as proton acceptor. To investigate the strength and nature of hydrogen-bonding, topological parameters as electron density (ρBCP), Laplacian of electron density ( ∇ ρ BCP 2 ), total electron energy density (HBCP) and estimated hydrogen bond energy (EHB) at bond critical points (BCP) are analyzed by ‘Quantum Theory of Atoms in Molecules’ (QTAIM) in detail. The local reactivity descriptors as Fukui functions ( f k + , f k - ), local softnesses ( s k + , s k - ) and electrophilicity indices ( ω k + , ω k - ) analyses are performed to investigate the reactive sites within molecule. The first hyperpolarizability (β0) of (3) has been computed to evaluate the non-linear optical (NLO) response of the investigated molecule.

The spectroscopic analysis of a newly synthesized 1,9-bis(2-cyano-2-ethoxycarbonylvinyl)-5-(2-chlorophenyl)-dipyrromethane (3) has been carried out using 1H NMR, UV–Visible, FT-IR and Mass spectroscopic techniques. The presence of a 1H NMR signal at 5.93 ppm indicates that two pyrrole units joined together at meso position. The intense absorption in UV region at λmax (315 nm) is caused by the excitation of electron from singly occupied molecular orbital H-1 [n(O11)] to L+1[π*(C10 O11)]. Natural bond orbitals (NBOS) analysis reveals various types of intramolecular conjugative and hyperconjugative interactions within molecule. The conjugative interactions are responsible for π–electron delocalization within pyrrole or benzene ring and stabilized the molecule with energy in the region 11.63–22.64 kcal/mol. A combined experimental and theoretical vibrational analysis indicates the existence of intramolecular H-bonding between pyrrole N H as proton donor and N atom of cyanide as proton acceptor. To investigate the strength and nature of H-bonding, topological and energetic parameters at bond critical points (BCP) have been analyzed by ‘Quantum theory of Atoms in molecules’ (QTAIM). Global electrophilicity index (ω = 4.58 eV) shows that title molecule (3) is a strong electrophile. The maximum values of local electrophilic reactivity descriptors ( P k + , f k + , ω P k + , NP k + ) at vinyl carbons (C6/C22) of (3) indicate that they are more prone to nucleophilic attack.

A detailed spectroscopic analyses of a newly synthesized ethyl 2-cyano-3-[5-(hydrazinooxalyl–hydrazonomethyl)-1H-pyrrol-2-yl]-acrylate (3) have been carried out using 1H and 13C NMR, UV–Visible, FT-IR and mass spectroscopic techniques. All the quantum chemical calculations have been carried out using DFT level of theory, B3LYP functional and 6-31G(d,p) as basis set. The 1H and 13C NMR chemical shifts are calculated using gauge including atomic orbitals (GIAOs) approach in DMSO-d6. TD-DFT is used to calculate the energy (E), oscillatory strength (f) and wavelength absorption maxima (λmax) of various electronic transitions and their nature within molecule. Natural bond orbital (NBO) analysis is carried out to investigate the various intra and intermolecular interactions in dimer and their corresponding second order stabilization energy (E(2)). A combined theoretical and experimental vibrational analysis confirms the existence of dimer and the binding energy of dimer is calculated as 9.21 kcal/mol using DFT calculations. To determine the energy and nature of different interactions topological parameters at bond critical points (BCPs) have been analyzed by Bader’s ‘atoms in molecules’ (AIMs) theory in detail. Electrophilic charge transfer (ECT) is calculated to investigate the relative electrophilic or nucleophilic behavior of reactant molecules involved in chemical reaction. Global electrophilicity index (ω = 5.5836 eV) shows that title molecule (3) is a strong electrophile. The local reactivity descriptors such as Fukui functions ( f k + , f k - ) , local softness ( s k + , s k - ) and electrophilicity indices ( ω k + , ω k - ) analyses are performed to determine the reactive sites within molecule.

In the present paper, a new ethyl 4-[2-(carbamoyl)hydrazinylidene]-3,5-dimethyl-1H-pyrrole-2-carboxylate (3) has been synthesized and characterized by 1H NMR, UV–Visible, FT-IR and Mass spectroscopy. The formation of the compound and its properties have also been evaluated by quantum chemical calculations using density functional theory (DFT), B3LYP functional and 6-31G(d,p) as basis set. The calculated thermodynamic parameters show that the formation of (3) is an exothermic and spontaneous reaction at room temperature. 1H NMR chemical shifts are calculated using gauge including atomic orbitals (GIAO) approach in DMSO-d6 as solvent. Time dependent density functional theory (TD-DFT) is used to calculate the energy (E), oscillator strength (f) and wavelength absorption maxima (λmax) of various electronic transitions and their nature within the molecule. NBO analysis is carried out to investigate the stabilization energy of various intra and intermolecular interactions in molecular system. The vibrational analysis indicates the formation of dimer in the solid state by intermolecular heteronuclear hydrogen bonding (N H⋯O) and the binding energy of dimer is calculated to be 10.40 kcal/mol, using DFT calculations. Topological parameters at bond critical points (BCP) are calculated to analyze the strength and nature of various types of intra and intermolecular interactions in dimer by Bader’s ‘Atoms in molecules’ AIM theory in detail. The local reactivity descriptors such as Fukui functions ( f k + , f k - ), local softnesses ( s k + , s k - ) and electrophilicity indices ( ω k + , ω k - ) analyses are performed to determine the reactive sites within molecule.

Ethyl-4-[(2,4-dinitrophenyl)-hydrazonomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (3) has been newly synthesized by the condensation of ethyl-4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate and 2,4-dinitrophenylhydrazine, characterized by FT-IR, 1H NMR, UV–Vis, DART Mass and elemental analysis. The formation of compound (3) and its properties have been evaluated by quantum chemical calculations. The calculated thermodynamic parameters show that the formation reaction of (3) is exothermic and spontaneous at room temperature. The vibrational analysis indicates that (3) forms dimer in the solid state by heteronuclear double hydrogen bonding (N–H···O). Topological parameters electron density (ρ BCP), Laplacian of electron density (∇2 ρ BCP), and total electron energy density (H BCP) at bond critical points (BCP) have been analyzed using “atoms in molecules” (AIM) theory. The interaction energies of dimer formation using DFT and AIM calculations are found to be −14.6509 and −15.5308 kcal/mol, respectively. AIM ellipticity analysis confirms the presence of resonance-assisted hydrogen bonding in dimer. The global electrophilicity index (ω = 5.91 eV) shows that title molecule is a strong electrophile. The local reactivity descriptors Fukui functions (f k + , f k − ), softness (s k + , s k − ), and electrophilicity indices (ω k + , ω k − ) analyses are performed to determine the reactive sites within molecule.

A new ethyl-4-{[(2,4-dinitrophenyl)-hydrazono]-ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate (EDPHEDPC) has been synthesized and characterized by FT-IR, (1)H NMR, UV-vis, DART-Mass spectroscopy and elemental analysis. Quantum chemical calculations have been performed by DFT level of theory using B3LYP functional and 6-31G(d,p) as basis set. The (1)H NMR chemical shifts are calculated using gauge including atomic orbitals (GIAO) approach in DMSO as solvent. The time dependent density functional theory (TD-DFT) is used to find the various electronic transitions and their nature within molecule. A combined theoretical and experimental wavenumber analysis confirms the existence of dimer. Topological parameters such as electron density (ρ(BCP)), Laplacian of electron density (nabla(2)ρ(BCP)), kinetic electron energy density (G(BCP)), potential electron density (V(BCP)) and the total electron energy density (H(BCP)) at bond critical points (BCP) have been analyzed by Bader's 'Atoms in molecules' AIM theory in detail. The intermolecular hydrogen bond energy of dimer is calculated as -12.51 kcal/mol using AIM calculations. AIM ellipticity analysis is carried out to confirm the presence of resonance assisted intra and intermolecular hydrogen bonds in dimer. The calculated thermodynamic parameters show that reaction is exothermic and non-spontaneous at room temperature. The local reactivity descriptors such as Fukui functions (f(k)(+), f(k)(-)), local softnesses (s(k)(-), s(k)(+)) and electrophilicity indices (ω(k)(+), ω(k)(-)) analyses are performed to determine the reactive sites within molecule. Nonlinear optical (NLO) behavior of title compound is investigated by the computed value of first hyperpolarizability (β(0)).

A new ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate thiosemicarbazone (EFDMPCT) has been synthesized and characterized by elemental analysis and FT-IR, 1H NMR, UV–Visible, DART-mass spectroscopy. Quantum chemical calculations have been performed by DFT level of theory using B3LYP functional and 6-31G (d,p) as basis set. The calculated 1H NMR chemical shifts using gauge including atomic orbitals (GIAO) approach are in good agreement with the observed chemical shifts. The electronic transitions within molecule have been interpreted using the time dependent density functional theory (TD-DFT). The calculated and experimental wavenumbers analyses confirm the existence of dimer. Topological parameters electron density, Laplacian of electron density, kinetic electron energy density, potential electron density and the total electron energy density at the bond critical points (BCP) analyzed using ‘Atoms in Molecules’ AIM theory reveals intra and inter molecular hydrogen bonding other weaker interactions in detail. The calculated intermolecular hydrogen bond energy of dimer is −12.2176 kcal/mol using AIM calculation. The results of AIM ellipticity confirm the existence of resonance assisted hydrogen bonds in dimer. The calculated thermodynamic parameters show that reaction is exothermic and non-spontaneous at room temperature. The local reactivity descriptors find the reactive sites within molecules have been calculated.

Dielectric properties of polymer blend of polyvinylidenefluoride (PVDF) and polysulfone (PSF) of different wt. % have been studied to understand the molecular motion and their relaxation behavior in the frequency range of 100 Hz to 10 kHz at different temperatures between 30 and 190 °C. The dielectric constant of the blend decreased with frequency and increased with the increasing temperature and PSF content in the blend. The magnitude of dielectric loss also increased with increase in temperature and PSF content. The observed characteristic has been consistently explained in terms of dipolar motions and the plasticization effect brought about by blending of PSF with PVDF. At constant frequency and temperature, the blend follows a linear relationship between logarithm of their dielectric constant and different ratios of blend. The appearance of a peak for each concentration in dielectric loss suggests the presence of relaxing dipoles in the blend. In addition of PSF with PVDF, the peak shifts toward higher frequency side suggesting the speed up the relaxation process. AC dielectric data is also combined with thermally stimulated depolarization current (TSDC) data which is generally studied for low-frequency dielectric properties of polymers blends so as to produce the results in a wide frequency range. The glass transition temperature ( T g ) of the blend was studied by differential scanning calorimetric technique (DSC), the T g was compared and correlated with TSDC peak. The blend samples were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM) to study the formation of blend and micro structural properties of the materials. The shifting of peak toward lower diffraction angle side confirms the reduction in particle size with increasing amorphous content in the blend.

The southwestern Ghats region of the Indian Peninsula is unique for its extant endemic rainforest flora supported by high rainfall throughout the year. The record of tropical rainforest corresponding to the dynamic series of Pleistocene interglacial/glacial cycles is poorly known from peninsular India. This communication discusses the palynological study of organic matter (OM) deposits (>40 ka BP) in two well sections (Chaganachery, Kerala) from the Indian Peninsula (west coast). A rich archive of tropical rainforest pollen/spores and marine dinoflagellate cysts indicates anoxic fluvio-marine/estuarine depositional environments during warmer climates with an intensified Asian monsoon. The geochemical fingerprinting of glass shards indicates the presence of Youngest Toba ash of ∼74 ka from northern Sumatra, and therefore establishes a time-controlled stratigraphy. Thus, the depositional time period of the OM is related to the sea level highstand of Marine Isotopic Stage 5.1 (∼80 ka) which was the host to the YTT shards. The Late Quaternary pollen/spores diversity suggests that the modern climatic conditions in the southwestern Ghats have facilitated the conservation of moist evergreen rainforest and dry/moist deciduous forest. The pollen grains show its lineage with the extant flora and some of the fossil pollen recorded during the mesic Tertiary period from the Indian peninsula. Thus, it appears that the tropical rainforest survived here as ‘Plant Refugia’ in xeric (glacial) Quaternary periods, perhaps as riparian vegetation, and was rejuvenated during the Holocene as modern extant flora.

This article investigates charging current behavior of thermoplastic heat-resistant polyimide (PI) sample under electric fields from 25 to 200 kV/cm, at different temperatures. The charging current was recorded as a function of time in 25 µm PI thin film supplied by DuPont India Limited. The PI has different aromatic structures and various hinge-type groups in polymer macromolecules due to which, charging current was found to decay faster at shorter times whereas it shows slower decay at longer times. These characteristics agree with the Curie—Von Schweidner law. The charging current versus polarizing temperature curves at constant time is generally characterized by a broad peak. The appearance of this peak at certain charging conditions is correlated with the dipolar peak observed in thermally stimulated discharge current thermograms. The log Ic versus electric field curve suggests that electronic conduction has occurred due to the field assisted electron hopping.