Molecular Dynamics and Vibrational Analysis of Pentacene: RHF and DFT Study

The molecular dynamics of Pentacene molecule and its vibrational behavior is studied using the Gaussian software at the Restricted Hartree Fock and Density Functional Theory levels of computation. Two medium size basis sets, 6-31G and 6-31G* are used. The dipole moments, thermal energies and band gap computations for the molecule are obtained. The Infra Red (IR) and Raman vibrational frequencies are vividly examined and the most intense IR and Raman frequencies identified. The computed band gap at DFT level of theory for both basis sets is much in agreement with the experimental value. Keywords: Pentacene,  Hartree-fork, DFT, bond-angle, bondlength, Raman, frequencie

Contribution of advanced fluorescence nano microscopy towards revealing mitotic chromosome structure

The organization of chromatin into higher-order structures and its condensation process represent one of the key challenges in structural biology. This is important for elucidating several disease states. To address this long-standing problem, development of advanced imaging methods has played an essential role in providing understanding into mitotic chromosome structure and compaction. Amongst these are two fast evolving fluorescence imaging technologies, specifically fluorescence lifetime imaging (FLIM) and super-resolution microscopy (SRM). FLIM in particular has been lacking in the application of chromosome research while SRM has been successfully applied although not widely. Both these techniques are capable of providing fluorescence imaging with nanometer information. SRM or nanoscopy is capable of generating images of DNA with less than 50 nm resolution while FLIM when coupled with energy transfer may provide less than 20 nm information. Here, we discuss the advantages and limitations of both methods followed by their contribution to mitotic chromosome studies. Furthermore, we highlight the future prospects of how advancements in new technologies can contribute in the field of chromosome science

Assessment of biogas production from mixtures of poultry waste and cow dung

The increase price of cooking gas and high rate of deforestation (firewood) has led to search for an alternative source for cooking. This study was carried out to produce biogas from cow dung and poultry waste as well as the respective co-digestion of cow dung and poultry dung as alternative fuel for cooking. Four-liters digester and gas collection system were designed and fabricated using locally available materials. The digesters were used to digest cow dung and poultry dung respectively as a single substrate as well as to digest cow dung and poultry dung respectively. The respective materials were collected locally. They were fermented, digested and analyzed in accordance with standard methods for the single substrate. The total volume of gas produced was recorded for different mixtures of cow and poultry waste. The total volume of gas produced ranged from 222 cm3 (20g cow dung plus 60g poultry waste) to 258cm3 (80g cow dung plus 0g poultry). The result shows that cow dung produces more gas than the poultry waste. Therefore, it is recommended that biogas factories or industries should be established that make use of the abundant animal waste. This will reduce the over-dependence on other forms of energy

Financial Development, International Trade and Economic Growth: Empirical Evidence from Pakistan

The study utilizes the Autoregressive-distributed lag (ARDL) approach for cointegration and Granger causality test, to explore the long run equilibrium relationship and the possible direction of causality between international trade, financial development and economic growth for the Pakistan economy. Imports plus exports of goods and services is used as a proxy for international trade, while broad money (M2) and gross domestic product (GDP) are used as the proxies for financial development and economic growth, respectively. Result explores a long run relationship between the variables. In case of Pakistan, economy supply leading hypothesis is accepted. Moreover, unidirectional causality is observed from international trade to economic growth and from financial development to international trade

Synthesis of Thermally Stable h-BN-CNT Hetero-Structures via Microwave Heating of Ethylene under Nickel, Iron, and Silver Catalysts

Initially, three samples of carbon nanotubes (SWCNTs) were synthesized from neem tree material. Afterward, these samples were coated with hexagonal boron nitride (h-BN) to form h-BN and CNT composite (h-BN-CNT). The essence of using h-BN (being a perfect insulator) with armchair SWCNT (being a conductor) is to create an interface between an insulator and conductor. The samples were treated under three different transition metal nanoparticles; silver, iron, and nickel. Thermogravimetric (TGA) analysis reveals that h-BN/CNT is thermally more stable with silver than iron and nickel nanoparticles. TGA profile showed resistance to mass loss at the beginning due to the higher thermal resistivity by the impurity compounds. The DFT calculation, generalized gradient approximation (GGA), and Perdew–Burke–Ernzerhof (PBE) analysis found engineered bandgap energy of 3.4 eV for the synthesized h-BN-CNT heterostructure. Because of its unique structural and electronic properties such as tunable bandgaps, the h-BN-CNT heterostructure may open new ways for manipulating excitons in the CNTs, and thus can be explored to develop various new electronic devices