A Deep Generative Model for Molecule Optimization via One Fragment Modification.

Molecule optimization is a critical step in drug development to improve desired properties of drug candidates through chemical modification. We developed a novel deep generative model Modof over molecular graphs for molecule optimization. Modof modifies a given molecule through the prediction of a single site of disconnection at the molecule and the removal and/or addition of fragments at that site.

Pharmacist-driven initiative for management of bacteremia using a clinical decision support system.

Purpose: The development and implementation of a clinical decision support system (CDSS) for pharmacists to use for identification of and intervention on patients with Staphylococcus aureus bacteremia (SAB) are described.

Summary: A project team consisting of 3 informatics pharmacists and 2 infectious diseases (ID) pharmacists was formed to develop the CDSS. The primary CDSS component was a scoring system that generates a score in real time for a patient with a positive blood culture for S.

Measuring the Impact of Microenvironmental Conditions on Mitochondrial Dehydrogenase Activity in Cultured Cells.

Mitochondria are powerhouses of a cell, producing much of the cellular ATP. However, mitochondrial enzymes also participate in many cellular biosynthetic processes. They are responsible for helping to maintain NAD(P)/H and redox balance, supplying metabolic intermediates for cell growth, and regulating several types of programed cell death.

Enhanced dopamine transporter function in striatum during nicotine withdrawal.

Spontaneous and antagonist-precipitated withdrawal from nicotine is characterized by marked deficits in extracellular dopamine (DA) in striatum, especially in nucleus accumbens, that have been thought to underlie the affective state associated with drug discontinuation. Uptake via the dopamine transporter (DAT) is a key mechanism for regulating the concentrations of extracellular DA. Accordingly, we questioned whether DAT expression and function are altered in striatum in nicotine withdrawal.

Increased expression of VMAT2 in dopaminergic neurons during nicotine withdrawal.

Evidence suggests that the vesicular monoamine transporter-2 (VMAT2) is regulated in striatum and dopamine (DA) may play a role in its regulation. DA is an important mediator of the behavioral actions of nicotine, and dopaminergic neurotransmission is altered following nicotine administration. We investigated the effect of nicotine withdrawal on the expression of VMAT2 in the midbrain DA neurons in animals dependent to nicotine.

Application of the Karhunen-Loeve transform temporal image filter to reduce noise in real-time cardiac cine MRI.

Real-time dynamic magnetic resonance imaging (MRI) typically sacrifices the signal-to-noise ratio (SNR) to achieve higher spatial and temporal resolution. Spatial and/or temporal filtering (e.g.

Cardiac effects of continuous and bilevel positive airway pressure for patients with heart failure and obstructive sleep apnea: a pilot study.

Background: Obstructive sleep apnea (OSA) is prevalent in patients with heart failure. Treatment with continuous positive airway pressure (CPAP) improves systolic function in patients with heart failure. Bilevel positive airway pressure (PAP) is another treatment modality for OSA.

Overcoming immune evasion in T cell therapy of cancer: lessons from animal models.

Cancer antigen-specific cytotoxic T lymphocytes (CTL) are the major effectors against cancer cells. However, large established tumors are usually not fully controlled by CTL for at least two reasons. First, large established tumors have immune suppressive networks that not only suppress CTL effector function but also permit tumor progression.

Sticking together! A creative approach to documenting insulin double checks.

Patient care and family teaching are the heart of the rehabilitation staff nurse's role. Documentation of the various aspects of patient care and family teaching is a necessary but time-consuming process. In this article you will learn how the nurses of one rehabilitation center welcomed a creative time-saving method of working together to improve documentation compliance for double checking insulin administration.

Anthracyclines as effective anticancer drugs.

Anthracyclines have received significant attention due to their effectiveness and extensive use as anticancer agents. At present, the clinical use of these drugs is offset by drug resistance in tumours and cardiotoxicity. Therefore, a relentless search for the 'better anthracycline' has been ongoing since the inception of these drugs > 30 years ago.

Neuroendocrine carcinomas of the pancreas with 'Rhabdoid' features.

Neuroendocrine carcinomas of the pancreas are rare neoplasms whose morphologic features generally mirror those seen in neuroendocrine tumors in other organs. Rarely, however, they may display unusual morphologic appearances that can introduce difficulties for diagnosis. We report four cases of primary neuroendocrine carcinomas of the pancreas (islet cell tumors) that were characterized by prominent "rhabdoid" features of the tumor cells.

Object pose: perceiving 3-d shape as sticks and slabs.

Estimating the pose (three-dimensional orientation) of objects is an important aspect of 3-D shape perception. We studied the ability of observers to match the pose of the principal axes of an object with the pose of a cross consisting of three perpendicular axes. For objects, we used a long and a flat spheroid and eight symmetric objects with aspect ratios of dimensions of approximately 4:2:1.

TNF-alpha activates solitary nucleus neurons responsive to gastric distension.

Tumor necrosis factor-alpha (TNF-alpha) is liberated as part of the immune response to antigenic challenge, carcinogenesis, and radiation therapy. Previous studies have implicated elevated circulating levels of this cytokine in the gastric hypomotility associated with these disease states. Our earlier studies suggest that a site of action of TNF-alpha may be within the medullary dorsal vagal complex.