Structural and Theoretical Studies of 2-amino-3-nitropyridine

Geometrical optimization, spectroscopic analysis, electronic structure and nuclear magnetic resonance of 2-amino-3-nitropyridine (ANP) were investigated by utilizing ab-initio (MP2) and DFT(B3LYP) using 6-311++G(d,p) basis set. Geometrical parameters (bond lengths, bond angles and torsion angles) were computed and compared with the experimental values obtained using X-ray single crystal measurements of the title compound. IR spectra were obtained and assigned by vibrational analysis. Comparing the theoretically calculated values (bond lengths, bond and dihedral angles) using both B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) methods of calculations with the experimentally determined data by X-ray single crystal measurements, all the data obtained in this investigation were considered to be reliable. The theoretical infrared spectra have been successfully simulated by means of DFT and MP2 levels of calculations. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of 2-amino-3-nitropyridine were calculated using the GIAO method in DMSO solution using IEF-PCM model and compared with the experimental data. Intramolecular hydrogen bonding interaction in this compound was investigated by means of the NBO analysis. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule

FinTech revolution: the impact of management information systems upon relative firm value and risk

The FinTech or ‘financial technology’ revolution has been gaining increasing interest as technologies are fundamentally changing the business of financial services. Consequently, financial technology is playing an increasingly important role in providing relative performance growth to firms. It is also well known that such relative performance can be observed through pairs trading investment. Therefore pairs trading have implications for understanding financial technology performance, yet the relationships between relative firm value and financial technology are not well understood. In this paper we investigate the impact of financial technology upon relative firm value in the banking sector. Firstly, using pairs trade data we show that financial technologies reveal differences in relative operational performance of firms, providing insight on the value of financial technologies. Secondly, we find that contribution of relative firm value growth from financial technologies is dependent on the specific business characteristics of the technology, such as the business application and activity type. Finally, we show that financial technologies impact the operational risk of firms and so firms need to take into account both the value and risk benefits in implementing new technological innovations. This paper will be of interest to academics and industry professionals

Adherence to data definitions in the ANZSCTS Database: Differences in New Renal Failure Reporting

Introduction: The ANZSCTS Database Program collects pre-operative, peri-operative, and post-operative clinical information on patients undergoing cardiac surgery across Australia. It is a clinical quality registry aimed at improving patient outcome by reporting and benchmarking hospital and surgeon performance. As such, it is vital that accurate and complete data is entered into the database by data managers at participating Units. The ANZSCTS Database was audited to determine the adherence rates of units to the current data definitions of New Renal Failure (NRF). Methods: Data between 2009 and 2013 from the ANZSCTS Database Program was analysed for reported NRF in patients undergoing cardiac surgery. Derived NRF was calculated using pre- and post- operative renal therapy and creatinine levels to ascertain the adherence rates to the current data definitions of the database. Results: Overall, NRF is slightly over-reported in the database across all procedure types (Table 1). However, unit-specific data shows 11 units had under-reported NRF compared to 16 units that had over-reported NRF rates (Fig. 1). Discussion: Whilst the overall rate of reported- and derived- NRF is similar, incorrect data entry into the database results in units receiving incorrect data regarding their performance. As such, future reporting of NRF in the ANZSCTS Database may utilise derived data as an audit tool to ensure accurate data is reported in ANZSCTS activities

Adherence to data definitions in the ANZSCTS Database: Differences in New Renal Failure Reporting

Introduction: The ANZSCTS Database Program collects pre-operative, peri-operative, and post-operative clinical information on patients undergoing cardiac surgery across Australia. It is a clinical quality registry aimed at improving patient outcome by reporting and benchmarking hospital and surgeon performance. As such, it is vital that accurate and complete data is entered into the database by data managers at participating Units. The ANZSCTS Database was audited to determine the adherence rates of units to the current data definitions of New Renal Failure (NRF). Methods: Data between 2009 and 2013 from the ANZSCTS Database Program was analysed for reported NRF in patients undergoing cardiac surgery. Derived NRF was calculated using pre- and post- operative renal therapy and creatinine levels to ascertain the adherence rates to the current data definitions of the database. Results: Overall, NRF is slightly over-reported in the database across all procedure types (Table 1). However, unit-specific data shows 11 units had under-reported NRF compared to 16 units that had over-reported NRF rates (Fig. 1). Discussion: Whilst the overall rate of reported- and derived- NRF is similar, incorrect data entry into the database results in units receiving incorrect data regarding their performance. As such, future reporting of NRF in the ANZSCTS Database may utilise derived data as an audit tool to ensure accurate data is reported in ANZSCTS activities