A review of issues and challenges of implementation of patient blood management.

Introduction: Patient blood management (PBM) is outlined as evidence-based medical and surgical concepts with a multidisciplinary method.

Aims And Objectives: The aim of this article is to review the PBM implementation and analyses the issues, challenges, and opportunities.

Methodology: In this article, we have an overview of PBM implementation in literature and our experience in one hospital in Iran.

A molecular modelling study of the effects of pivalate ligand substitutions on the magnetic properties of chromium-wheels host complexes.

In our recent article, we had a successful experience in applying binuclear chromium (III) model ([CrF(tBuCO)(HO)(OH)]) instead of real chromium-wheel host complex ([CrF(tBuCO)]) to calculate the effect of bridged-ligands substitution on the exchange coupling constants (J) values of the complexes. In this work our experienced procedure was used to evaluate the effect of pivalate (tBuCO) ligands substitution on the J values of the complexes. For this, at first two new groups of complexes were designed based on the replacement of pivalate by X-tBuCO and X-iPrCO anionic ligands (where X represents F, Cl, Br and I halogens) and then their J values were calculated.

Theoretical study of thieno-thiophene based low band gap copolymers and substituent effect on the optoelectronic properties of them.

This paper studies donor-acceptor systems which incorporate benzodithiophene (BDT), benzodifuran (BDF) and benzodipyrrole (BDP) units as the electron-rich monomer with TT unit representing the electron-deficient monomer. This research is based on employing density functional theory (DFT) and time-dependent DFT (TD-DFT). The highest occupied molecular orbitals (HOMO) and the lowest unoccupied molecular orbitals (LUMO), HOMO-LUMO gaps and dihedral-angles of these copolymers were calculated using oligomer extrapolation technique and periodic boundary condition (PBC) method.

Density functional theory investigation of opto-electronic properties of thieno[3,4-b]thiophene and benzodithiophene polymer and derivatives and their applications in solar cell.

PTBs polymers with thieno[3,4-b]thiophene [TT] and benzodithiophene [BDT] units have particular properties, which demonstrate it as one of the best group of donor materials in organic solar cells. In the present work, density functional theory (DFT) is applied to investigate the optimized structure, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), band gap and dihedral angle of PTB7 at B3LYP/6-31G(d). Two different approaches are applied to carry out these investigations: Oligomer extrapolation technique and periodic boundary condition (PBC) method.