Presented here is a method, the hierarchical charge partitioning (HCP) approximation, for speeding up computation of pairwise electrostatic interactions in biomolecular systems. The approximation is based on multiple levels of natural partitioning of biomolecular structures into a hierarchical set of its constituent structural components. The charge distribution in each component is systematica...

Iron alloyed with Ni and Si has been suggested to be a major component of the Earth’s inner core. High-pressure results on the combined alloying effects of Ni and Si on seismic parameters of iron are thus essential for establishing satisfactory geophysical and geochemical models of the region. Here we have investigated the compressional (VP) and shear (Vs) wave velocity-density (ρ) relations, P...

BACKGROUND Evidence suggests that nearly half of patients with major depressive disorder (MDD) do not achieve an adequate response to antidepressant treatments (ADTs), which impacts patients' functioning, quality of life (QoL), and well-being. This patient survey aimed to better understand patient perspectives on the emotional impact of experiencing an inadequate response to ADTs. METHODS An ...

The family of Helicobacter cysteine-rich proteins (Hcp) constitutes one of the largest protein families that are specific for proteobacteria from the delta/epsilon subgroup. Most of the proteins belonging to this family have so far only been recognized on the genome level. To investigate the expression of Hcp proteins in vivo we analyzed titers of antibody against HcpA (HP0211), HcpB (HP0336), ...

We investigated whether motor planning problems in people with Hemiparetic Cerebral Palsy (HCP) are paralleled by impaired ability to use Motor Imagery (MI). While some studies have shown that individuals with HCP can solve a mental rotation task, it was not clear if they used MI or Visual Imagery (VI). In the present study, motor planning and MI were examined in individuals with right HCP (n=1...

Monooxomolybdenum(IV) and dioxomolybdenum(VI) benzenedithiolate derivatives containing anilide moieties were synthesized and characterized by (1)H NMR, UV-visible, IR, and Raman spectroscopies. These complexes exhibit very strong intramolecular NH···S hydrogen bonds formed by the acidic anilide NH proton and the desired coplanar structure, resulting in significantly positive redox potential and...

Annual influenza vaccination is recommended for all health care personnel (HCP). In August 2011, the Centers for Medicare and Medicaid Services (CMS) published a final rule requiring acute care hospitals that participate in its Hospital Inpatient Quality Reporting Program to report HCP influenza vaccination data through the National Healthcare Safety Network (NHSN) beginning January 1, 2013. Da...

This study aimed to evaluate practical barriers to personal protective equipment (PPE) use found through health care personnel (HCP) training sessions held during and after the 2015 Middle East respiratory syndrome outbreak in Korea. Difficulties observed were ill-fitting sizes, anxiety, confusion from unstandardized protocols, doubts about PPE quality and effectiveness, and complexity of using...

In the crystal struture of the title compound, C(16)H(14)O(6)·C(3)H(7)NO, the two crystallographically independent benzene rings are coplanar [dihedral angle = 1.00 (2)°]. The crystal structure is stabilized by O-H⋯O hydrogen bonds between the diacid and the solvate dimethylformamide mol-ecule, resulting in the formation of a zigzag chain structure extending parallel to [001].