Druglike Molecules Binding to Large Membrane Proteins: Absolute Binding Free Energy Computation.

In this research, we employed the alchemical double-decoupling method alongside restraining potentials, coupled with the FEPMD method, to ascertain the standard binding free energy of a drug-like molecule termed BHQ and three analogous compounds engineered with progressive addition of bulky para-alkyl groups binding to SERCA (Ca-ATPase of skeletal muscle sarcoplasmic reticulum). Integral transmembrane proteins represent crucial drug targets in numerous therapeutic interventions, presenting computational challenges due to their considerable system sizes. Our approach integrated the generalized born potential method and the spherical solvent boundary potential method, allowing us to explicitly focus on the active binding site while treating the remainder of the system implicitly.

The Effects of Morally Reframed Messages on White Individuals' Attitudes Toward White Privilege.

Many White Americans are unaware of or tend to deny the existence of White privilege. One potential explanation for this denial is the belief that America functions as a meritocracy. Prior research suggests that morally reframed messages can change individuals' beliefs when the reframed messages align with their personal moral values.

Characterization of sound production by the pot-bellied seahorse (Hippocampus abdominalis) during feeding.

Sound production during feeding by the pot-bellied seahorse, Hippocampus abdominalis, was quantified with an observation of clicks (acoustic signal) and snicks (visual behavior). Female, male, and juvenile seahorses had feeding sounds characterized for peak (dominant) frequency (Hz), sound pressure level (SPL), and duration (ms). Subject body size and condition was estimated by standard length (SL, cm), to determine an estimate of body condition index (BCI).

MEK inhibition reduced vascular tumor growth and coagulopathy in a mouse model with hyperactive GNAQ.

Activating non-inherited mutations in the guanine nucleotide-binding protein G(q) subunit alpha (GNAQ) gene family have been identified in childhood vascular tumors. Patients experience extensive disfigurement, chronic pain and severe complications including a potentially lethal coagulopathy termed Kasabach-Merritt phenomenon. Animal models for this class of vascular tumors do not exist.

A Drosophila Su(H) model of Adams-Oliver Syndrome reveals cofactor titration as a mechanism underlying developmental defects.

Notch signaling is a conserved pathway that converts extracellular receptor-ligand interactions into changes in gene expression via a single transcription factor (CBF1/RBPJ in mammals; Su(H) in Drosophila). In humans, RBPJ variants have been linked to Adams-Oliver syndrome (AOS), a rare autosomal dominant disorder characterized by scalp, cranium, and limb defects. Here, we found that a previously described Drosophila Su(H) allele encodes a missense mutation that alters an analogous residue found in an AOS-associated RBPJ variant.

Postural control development from late childhood through young adulthood.

Background: The development of stable postural control is characterized by changes in sway variability and periods of rapid reorganization of motor system components.

Research Question: The current study examined whether changing biomechanical and perceptual demands influences the postural control behavior during development.

Method: The center of pressure (COP) was assessed via a cross-sectional design.

Medical marijuana and workers' compensation claiming.

We study the effect of state medical marijuana laws (MMLs) on workers' compensation (WC) claiming among adults. Medical marijuana is plausibly related to WC claiming by allowing improved symptom management, and thus reduced need for the benefit, among injured or ill workers. We use data on claiming drawn from the Annual Social and Economic supplement to the Current Population Survey over the period 1989 to 2012, coupled with a differences-in-differences design to provide the first evidence on this relationship.

Inpatient Communication Barriers and Drivers When Caring for Limited English Proficiency Children.

Background: Achieving effective communication between medical providers and families with limited English proficiency (LEP) in the hospital is difficult.

Objective: Our objective was to identify barriers to and drivers of effective interpreter service use when caring for hospitalized LEP children from the perspectives of pediatric medical providers and interpreters.

Design/participants/setting: We used Group Level Assessment (GLA), a structured qualitative participatory method that allows participants to directly produce and analyze data in an interactive group session.

Late fracture of Groshong ports: A report of the three cases.

Background: Totally implantable venous access devices are valuable tools for total parenteral nutrition, chemotherapy, and long-term intravenous therapy. However, late catheter fracture is a well-known complication of totally implantable venous access device, particularly in Groshong silicone catheter. Recently, a specific type of totally implantable venous access device made with Groshong silicone has been introduced to facilitate power injection of contrast medium for enhanced computed tomography.

FcαRI binding at the IgA1 C2-C3 interface induces long-range conformational changes that are transmitted to the hinge region.

IgA effector functions include proinflammatory immune responses triggered upon clustering of the IgA-specific receptor, FcαRI, by IgA immune complexes. FcαRI binds to the IgA1-Fc domain (Fcα) at the C2-C3 junction and, except for C2 L257 and L258, all side-chain contacts are contributed by the C3 domain. In this study, we used experimental and computational approaches to elucidate energetic and conformational aspects of FcαRI binding to IgA.

Rbpj direct regulation of Atoh7 transcription in the embryonic mouse retina.

In vertebrate retinal progenitor cells, the proneural factor Atoh7 exhibits a dynamic tissue and cellular expression pattern. Although the resulting Atoh7 retinal lineage contains all seven major cell types, only retinal ganglion cells require Atoh7 for proper differentiation. Such specificity necessitates complex regulation of Atoh7 transcription during retina development.

Role of Fault Attributions and Other Factors in Adults' Attitudes Toward Hypothetical Children With an Undesirable Characteristic.

A total of 184 adults read descriptions of six hypothetical children with various undesirable characteristics (i.e., being extremely overweight, extremely aggressive, extremely shy, a poor student, a poor athlete, displaying symptoms of attention deficit hyperactivity disorder).

Lymphedema: Improving Screening and Treatment Among At-Risk Breast Cancer Survivors.

Inadequate peripheral lymphedema screening is a persistent gap in the provision of quality survivorship care at many breast cancer centers. Lymphedema should be identified and treated during the subclinical stage, when it is more likely reversible. The purpose of this project was to integrate a screening process for patients with breast cancer at risk for lymphedema, using bioimpedance spectroscopy via the L-Dex®, in a breast cancer center.

Ontogeny of tool use: how do toddlers use hammers?

Hammering with a hand tool appears early in life. Skillful hammering involves accommodating movements to properties of the hammer, orienting the hammer's head to the item to be struck, and maintaining stable posture during forceful action with the arm(s). We aimed to characterize development of these abilities in young children (12, 18, and 24 months old).

Are your students ready for anatomy and physiology? Developing tools to identify students at risk for failure.

High failure rates in introductory college science courses, including anatomy and physiology, are common at institutions across the country, and determining the specific factors that contribute to this problem is challenging. To identify students at risk for failure in introductory physiology courses at our open-enrollment institution, an online pilot survey was administered to 200 biology students. The survey results revealed several predictive factors related to academic preparation and prompted a comprehensive analysis of college records of >2,000 biology students over a 5-yr period.

Behavioral reactions to novel food odors by intertidal hermit crabs.

Novel food items represent important food resources for generalist scavengers, such as intertidal hermit crabs. For animals that rely heavily on olfaction to mediate foraging, their first encounters with novel food items come from the detection of novel food odors. Although crustaceans have been shown to possess sensory mechanisms for processing novel odors, little is known about the level of stimulus reinforcement needed to maintain behavioral responses to novel food odors upon subsequent exposures.