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  1. Article ; Online: Synthesis and study on aroylhydrazones having cyanovinylpyrrole

    Poonam Rawat / R.N. Singh

    Arabian Journal of Chemistry, Vol 12, Iss 8, Pp 2384-

    2019  Volume 2397

    Abstract: A series of C-cyanovinylpyrrole containing aroylhydrazones (3a–c), derived from ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)-acrylate and acid hydrazides: salicylhydrazide, isoniazid and 3,5-dinitrobenzohydrazide have been characterized by various ... ...

    Abstract A series of C-cyanovinylpyrrole containing aroylhydrazones (3a–c), derived from ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)-acrylate and acid hydrazides: salicylhydrazide, isoniazid and 3,5-dinitrobenzohydrazide have been characterized by various spectroscopic techniques (1H NMR, 13C NMR, Mass, UV–Visible, Emission, FT-IR) and quantum chemical calculations. TD-DFT has been used to calculate the various electronic excitations and their nature. The emission spectra show that (3a–c) are good photoluminescent material due to intense emission at higher wavelength in yellow, green and blue region with high Stoke’s shift in the region 80–328 nm. The molar refractivity (MR) for (3a–c) is calculated as 109.28, 102.96, 119.14 esu, respectively. Natural bond orbital (NBO) analysis has been carried out to explore the various conjugative and hyperconjugative interactions within molecule and their second order stabilization energy (E(2)). Global electrophilicity index (ω = 5.41–8.11 eV) shows that (3a–c) molecules work as strong electrophiles. The local reactivity descriptors analyses such as Fukui functions (fk+, fk−), local softnesses (sk+, sk−) and electrophilicity indices (ωk+, ωk−) have been performed to determine the reactive sites within molecules. The first hyperpolarizabilities (β0) of (3a–c) have been computed and found to increase with electron withdrawing substituents. Keywords: Emission, TD-DFT, NBO, First hyperpolarizabilities
    Keywords Chemistry ; QD1-999
    Subject code 541
    Language English
    Publishing date 2019-12-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article ; Online: Synthesis, spectral analysis and study of antimicrobial activity of 2,5-diformyl-1H-pyrrole bis(methan-1-yl-1-ylidene)dimalonohydrazone

    Poonam Rawat / R.N. Singh

    Arabian Journal of Chemistry, Vol 12, Iss 7, Pp 1219-

    2019  Volume 1233

    Abstract: We have synthesized 2,5-diformyl-1H-pyrrole bis(methan-1-yl-1-ylidene)dimalonohydrazone (DPBMD) and characterized by elemental analysis, FT-IR, UV–Vis, Mass, 1H and 13C NMR spectroscopy. Theoretical calculations were performed by ab initio RHF and ... ...

    Abstract We have synthesized 2,5-diformyl-1H-pyrrole bis(methan-1-yl-1-ylidene)dimalonohydrazone (DPBMD) and characterized by elemental analysis, FT-IR, UV–Vis, Mass, 1H and 13C NMR spectroscopy. Theoretical calculations were performed by ab initio RHF and density functional theory (DFT)/B3LYP method, 6-31G(d,p) and 6-311++G(d,p) basis sets. The calculated scaled vibrational frequency values have been compared with experimental FT-IR spectrum. The calculated result shows excellent agreement between experimental and calculated frequencies at B3LYP method and 6-311++G(d,p) basis set. The thermodynamics properties, NBO, nonlinear optical properties and mulliken charges of DPBMD have also been analyzed. Involvement of nitrogen [N8/N18] and [N14/N24] lone pairs of electron with [π∗(C9–O10), π∗(C6–N7)/π∗(C16–N17), π∗(C19–O20)] and [(π∗(C12–O13)/π∗(C22–O23)] leads to an enormous stabilization of 84.6/84.6 and 64.1/64.1 kcal/mol of the molecule. A combined experimental and theoretical stretching wavenumber symmetric (3003, 3332 cm−1) and asymmetric (3276, 3398 cm−1) analysis confirms free NH2 groups in DPBMD. The calculated first hyperpolarizability (β0 = 5.80 × 10−30 esu) at B3LYP method and 6-311++G(d,p) basis sets indicates that DPBMD can be used as an attractive material for non-linear optical. The electronic descriptor analysis indicates that DPBMD is a good precursor for heterocyclic synthesis and as ligand for metal complex formation. The preliminary bioassay suggested that the DPBMD compound exhibits relatively good antibacterial and fungicidal activity against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Streptococcus pyogenes, Candida albicans, and Aspergillus niger. Keywords: NMR spectroscopy, IR spectroscopy, DFT, NBO
    Keywords Chemistry ; QD1-999
    Subject code 541
    Language English
    Publishing date 2019-11-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Animal movement on the hoof and on the cart and its implications for understanding exchange within the Indus Civilisation

    C. A. Petrie / E. Lightfoot / P. J. Jones / J. R. Walker / B. T. Valentine / J. Krigbaum / P. le Roux / P. P. Joglekar / V. Shinde / R. N. Singh / T. C. O’Connell

    Scientific Reports, Vol 14, Iss 1, Pp 1-

    2024  Volume 14

    Abstract: Abstract Movement of resources was essential to the survival and success of early complex societies. The sources and destinations of goods and the means of transportation – be it by boats, carts and/or foot – can often be inferred, but the logistics of ... ...

    Abstract Abstract Movement of resources was essential to the survival and success of early complex societies. The sources and destinations of goods and the means of transportation – be it by boats, carts and/or foot – can often be inferred, but the logistics of these movements are inherently more difficult to ascertain. Here, we use strontium isotopic analysis to test hypotheses about the role of animal and animal-powered transport in medium and long-distance movement and exchange, using the Indus Civilization as a case study. Across the wide geographical spread of the Indus Civilisation, there is strong evidence for long-distance exchange of raw materials and finished objects and this process is presumed to involve boats and animal-driven transport, although there is little evidence as to the relative importance of each mode of movement. Strontium isotopic analysis of animal remains from four sites analysed for this study combined with results from nine other sites indicates limited long-distance animal movement between different geological zones within the Indus Civilisation. These findings suggest that individual animals primarily moved short- or medium-distances, though there are several significant exceptions seen in some pigs and cattle found at two large urban sites. We infer that long-distance transport of goods, be it raw materials, finished objects, other goods, or the animals themselves, could have occurred through the use of boats and waterways, by traction animals moving over long distances that did not end up in the archaeological record, and/or by different animals participating in many short to medium-distance movements.
    Keywords Medicine ; R ; Science ; Q
    Subject code 630
    Language English
    Publishing date 2024-01-01T00:00:00Z
    Publisher Nature Portfolio
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  4. Article ; Online: Effects of Pranayama on mental health and physical fitness in healthy University students

    Abhishek Anand / Kishor Patwardhan / R N Singh / Hari Hirdya Awasthi

    Yoga-Mimamsa, Vol 50, Iss 1, Pp 27-

    2018  Volume 30

    Abstract: Background: In Indian Universities, much attention is not given to the mental and physical fitness of the students during routine teaching-learning sessions except in the courses related to physical education, medicine, and yoga. Even general health- ... ...

    Abstract Background: In Indian Universities, much attention is not given to the mental and physical fitness of the students during routine teaching-learning sessions except in the courses related to physical education, medicine, and yoga. Even general health-related lessons are mostly not included in the curricula of most of the courses. This fact becomes important in the context of increasing prevalence of cardiovascular and metabolic diseases among the younger population. Yogic training happens to be one of the promising and effective methods of training in developing mental and physical fitness. Objective of the Study: The objective of this study was to find out the effect of Pranayama on physical fitness and mental health in University-level healthy students. Method: A total of 108 adult volunteers of University-level healthy students of both gender, aged 17–28 years were included in the study. The selected individuals were divided into two groups, experimental- and control-with (n = 54) individuals in each group. The training period of Anuloma-viloma and Bhastrika Pranayama for experimental group was 12 weeks. Physical fitness parameters and mental health were assessed at the baseline and after completion of 12 weeks of the training intervention. Mental health was tested with a validated Mental Health Inventory Questionnaire. Control groups did not undergo Pranayama training. Results: The experimental group showed significant improvement in most of the physical fitness parameters after 12 weeks of Pranayama practice; however, the control group did not show significant improvement. The positive effect of Pranayama though was observed on mental health parameters in the experimental group, the difference was not statistically significant when compared with the control group. Conclusion: Anuloma-viloma and Bhastrika Pranayama appear to be effective in improving physical health parameters among healthy University students.
    Keywords indian universities ; mental health ; physical fitness ; pranayama ; yoga ; Other systems of medicine ; RZ201-999 ; Therapeutics. Pharmacology ; RM1-950
    Subject code 796
    Language English
    Publishing date 2018-01-01T00:00:00Z
    Publisher Wolters Kluwer Medknow Publications
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  5. Article ; Online: Effect of elevated ozone and carbon dioxide interaction on growth, yield, nutrient content and wilt disease severity in chickpea grown in Northern India

    Arti Bhatia / Usha Mina / Vinod Kumar / Ritu Tomer / Amit Kumar / Bidisha Chakrabarti / R.N. Singh / Bhupinder Singh

    Heliyon, Vol 7, Iss 1, Pp e06049- (2021)

    2021  

    Abstract: Wilt caused by Fusarium oxysporum, sp. Ciceris (FOC) is an important disease causing losses up to 10% in chickpea yield. Experiments were conducted growing chickpea in free air ozone and carbon dioxide enrichment rings under four treatments of elevated ... ...

    Abstract Wilt caused by Fusarium oxysporum, sp. Ciceris (FOC) is an important disease causing losses up to 10% in chickpea yield. Experiments were conducted growing chickpea in free air ozone and carbon dioxide enrichment rings under four treatments of elevated ozone (O3) (EO:60 ± 10 ppb), elevated carbon dioxide (CO2) (ECO2:550 ± 25 ppm), combination of elevated CO2 and O3 (EO + ECO2) and ambient control for quantifying the effect on growth, yield, biochemical and nutrient content of chickpea. For studying the impact on wilt disease, chickpea was grown additionally in pots with soil containing FOC in these rings. The incidence of Fusarium wilt reduced significantly (p < 0.01) under EO as compared to ambient and ECO2. The activities of pathogenesis-related proteins chitinase and β-1,3- glucanase, involved in plant defense mechanism were enhanced under EO. The aboveground biomass and pod weight declined by 18.7 and 15.8% respectively in uninnoculated soils under EO, whereas, in FOC inoculated soil (diseased plants), the decline under EO was much less at 8.6 and 9.9% as compared to the ambient. Under EO, the activity of super oxide dismutase increased significantly (p < 0.5, 40%) as compared to catalase (12.5%) and peroxidase (17.5%) without any significant increase under EO + ECO2. The proline accumulation was significantly (p < 0.01) higher in EO as compared to EO + ECO2, and ECO2. The seed yield declined under EO due to significant reduction (p < 0.01) in the number of unproductive pods and seed weight. No change in the protein, total soluble sugars, calcium and phosphorus content was observed in any of the treatments, however, a significant decrease in potassium (K) content was observed under EO + ECO2. Elevated CO2 (554ppm) countered the impacts of 21.1 and 14.4 ppm h (AOT 40) O3 exposure on the seed yield and nutrient content (except K) in the EO + CO2 treatment and reduced the severity of wilt disease in the two years' study.
    Keywords Wilt ; Elevated ozone ; Elevated carbon dioxide ; Chickpea ; Fusarium oxysporium ; Science (General) ; Q1-390 ; Social sciences (General) ; H1-99
    Subject code 580
    Language English
    Publishing date 2021-01-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  6. Article ; Online: Entropy-information perspective to radiogenic heat distribution in continental crust

    R. N. Singh / A. Manglik

    Nonlinear Processes in Geophysics, Vol 20, Iss 3, Pp 423-

    2013  Volume 428

    Abstract: Depth distribution of radiogenic heat sources in continental crust is an important parameter that controls its thermal structure as well as the mantle heat flow at the base of continental lithosphere. Various models for the depth distribution of ... ...

    Abstract Depth distribution of radiogenic heat sources in continental crust is an important parameter that controls its thermal structure as well as the mantle heat flow at the base of continental lithosphere. Various models for the depth distribution of radiogenic heat sources have been proposed. Starting from constant and exponential models based on linear heat flow–heat generation relationship the present-day layered models integrate crustal structure and laboratory measurements of radiogenic heat sources in various exposed rocks representing crustal composition. In the present work, an extended entropy theory formalism is used for estimation of radiogenic heat sources distribution in continental crust based on principle of maximum entropy (POME). The extended entropy principle yields a constant heat generation model if only a constraint given by total radiogenic heat in the crust is used and an exponential form of radiogenic heat sources distribution if an additional constraint in the form of a second moment is used in the minimization of entropy.
    Keywords Science ; Q ; Physics ; QC1-999 ; Geophysics. Cosmic physics ; QC801-809
    Subject code 621
    Language English
    Publishing date 2013-06-01T00:00:00Z
    Publisher Copernicus Publications
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article ; Online: Analytical Modelling of Unconfined Flow Induced by Time Varying Recharge

    S N Rai and R N Singh

    Proceedings of Indian National Science Academy, Vol 62, Iss 4A (2015)

    2015  

    Abstract: Analytical Modelling of Unconfined Flow Induced by Time Varying ... ...

    Abstract Analytical Modelling of Unconfined Flow Induced by Time Varying Recharge
    Keywords Science ; Q
    Language English
    Publishing date 2015-02-01T00:00:00Z
    Publisher Indian National Science Academy
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  8. Article ; Online: On the Behaviour of the Cesaro means of a Fourier Series

    S Kumari and R N Singh

    Proceedings of Indian National Science Academy, Vol 31, Iss 3A (2015)

    2015  

    Abstract: On the Behaviour of the Cesaro means of a Fourier ... ...

    Abstract On the Behaviour of the Cesaro means of a Fourier Series
    Keywords Science ; Q
    Language English
    Publishing date 2015-02-01T00:00:00Z
    Publisher Indian National Science Academy
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  9. Article ; Online: CONFORMAL INFINITESIMAL TRANSFORMATIONS OF HYPERBOLIC CONTACT METRIC STRUCTURE

    B. B. SINHA, R. N. SINGH

    Proceedings of Indian National Science Academy, Vol 15, Iss

    2015  Volume 6

    Abstract: CONFORMAL INFINITESIMAL TRANSFORMATIONS OF HYPERBOLIC CONTACT METRIC ... ...

    Abstract CONFORMAL INFINITESIMAL TRANSFORMATIONS OF HYPERBOLIC CONTACT METRIC STRUCTURE
    Keywords Science ; Q
    Language English
    Publishing date 2015-01-01T00:00:00Z
    Publisher Indian National Science Academy
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  10. Article ; Online: ON A SPECIFIED AFFINE CONNEXION IN AN ALMOST CONTACT MANIFOLD

    R. N. SINGH, R. S. MISHRA

    Proceedings of Indian National Science Academy, Vol 8, Iss

    2015  Volume 1

    Abstract: ON A SPECIFIED AFFINE CONNEXION IN AN ALMOST CONTACT ... ...

    Abstract ON A SPECIFIED AFFINE CONNEXION IN AN ALMOST CONTACT MANIFOLD
    Keywords Science ; Q
    Language English
    Publishing date 2015-01-01T00:00:00Z
    Publisher Indian National Science Academy
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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