Molecular Dynamics Simulations of Matrix Metalloproteinase 13 and the Analysis of the Specificity Loop and the S1'-Site.

The specificity loop of Matrix Metalloproteinases (MMPs) is known to regulate recognition of their substrates, and the S1'-site surrounded by the loop is a unique place to address the selectivity of ligands toward each MMP. Molecular dynamics (MD) simulations of apo-MMP-13 and its complex forms with various ligands were conducted to identify the role of the specificity loop for the ligand binding to MMP-13. The MD simulations showed the dual role of T247 as a hydrogen bond donor to the ligand, as well as a contributor to the formation of the van der Waal surface area, with T245 and K249 on the S1'-site.

Traumatic Brain Injury-Induced Fear Generalization in Mice Involves Hippocampal Memory Trace Dysfunction and Is Alleviated by (R,S)-Ketamine.

Background: Traumatic brain injury (TBI) is a debilitating neurological disorder caused by an impact to the head by an outside force. TBI results in persistent cognitive impairments, including fear generalization and the inability to distinguish between aversive and neutral stimuli. The mechanisms underlying fear generalization have not been fully elucidated, and there are no targeted therapeutics to alleviate this symptom of TBI.

COVID-19 Infections, Pandemic-Related Social and Economic Impacts, and Changes to Mental and Self-Rated Health Among Latinx Immigrant Housecleaners in New York City: The Safe and Just Cleaners Study.

To estimate impacts of COVID-19 infections and social and economic sequelae on mental and self-rated health among Latinx immigrant housecleaners in New York City. From March to June 2021, we conducted a follow-up study with 74% retention of 402 housecleaners initially surveyed before the pandemic between August 2019 and February 2020. We measured rates of self-reported COVID-19 infections, COVID-19 antibodies, and pandemic-related social and economic sequelae and examined predictors of mental and self-rated health changes using logistic regression models.

Modified Fermi's golden rule rate expressions.

Fermi's golden rule (FGR) serves as the basis for many expressions of spectroscopic observables and quantum transition rates. The utility of FGR has been demonstrated through decades of experimental confirmation. However, there still remain important cases where the evaluation of a FGR rate is ambiguous or ill-defined.

The prevalence of SARS-CoV-2 infection and other public health outcomes during the BA.2/BA.2.12.1 surge, New York City, April-May 2022.

Background: Routine case surveillance data for SARS-CoV-2 are incomplete, unrepresentative, missing key variables of interest, and may be increasingly unreliable for timely surge detection and understanding the true burden of infection.

Methods: We conducted a cross-sectional survey of a representative sample of 1030 New York City (NYC) adult residents ≥18 years on May 7-8, 2022. We estimated the prevalence of SARS-CoV-2 infection during the preceding 14-day period.

Deciphering the water quality impacts of COVID-19 human mobility shifts in estuaries surrounding New York City.

The COVID-19 pandemic altered human mobility, particularly in large metropolitan areas. In New York City (NYC), stay-at-home orders and social distancing led to significant decreases in commuting, tourism, and a surge of outward migration. Such changes could result in decreased anthropogenic pressure on local environments.

Increasing efficiency of SVMp+ for handling missing values in healthcare prediction.

Missing data presents a challenge for machine learning applications specifically when utilizing electronic health records to develop clinical decision support systems. The lack of these values is due in part to the complex nature of clinical data in which the content is personalized to each patient. Several methods have been developed to handle this issue, such as imputation or complete case analysis, but their limitations restrict the solidity of findings.

The subtleties of fit: reassessing the fit-value biconditionals.

A joke is amusing if and only if it's fitting to be amused by it; an act is regrettable if and only if it's fitting to regret it. Many philosophers accept these biconditionals and hold that analogous ones obtain between a wide range of additional evaluative properties and the fittingness of corresponding responses. Call these the .

Formation and fragmentation of 2-hydroxyethylhydrazinium nitrate (HEHN) cluster ions: a combined electrospray ionization mass spectrometry, molecular dynamics and reaction potential surface study.

The 2-hydroxyethylhydrazinium nitrate ([HOCHCHNHNH]NO, HEHN) ionic liquid has the potential to power both electric and chemical thrusters and provide a wider range of specific impulse needs. To characterize its capabilities as an electrospray propellant, we report the formation of HEHN cluster ions in positive electrospray ionization (ESI) and their collision-induced dissociation. The experiment was carried out using ESI guided-ion beam mass spectrometry which mimics an electrospray thruster in terms of ion emission, injection into a vacuum and fragmentation in space.

Effects of fucoidan supplementation on inflammatory and immune response after high-intensity exercise.

Introduction: High-intensity exercise (HIE) can damage the musculotendon complex and impact the immune response, resulting in post-exercise inflammation. Sufficient rest and recovery will improve muscular resilience against future damaging bouts; however, HIE with minimal durations of rest is common in athletic competitions that facilitate persistent inflammation and immune dysregulation. Fucoidans are fucose-rich sulfated polysaccharides with demonstrated anti-inflammatory and pro-immune responses.

Early innovations in maritime telemedical services: the KDKF Radio Medico Station.

"MAN PUT HIS TONGUE AGAINST REFRIGERATOR PIPE AND GOT IT FROZEN; HAVE THAWED IT OUT AND IT IS NOW BLISTERED AND SWOLLEN BUT NOT PAINFUL. ARRIVING HONOLULU FRIDAY; HOW CAN I HELP HIM MEANWHILE?" Thus read a message relayed via radiogram across the ocean to the physician stationed at the Seamen's Church Institute's (SCI) KDKF radio station, established by the Institute in 1920 on top of its thirteen-story seafarer services center at the southern tip of Manhattan. Though radio was in its infancy, radio telegraphy had already proven its revolutionary power, featuring prominently in far more serious maritime emergencies such as the sinking of Titanic.

Our individual order of things directs how we think we feel.

Our work draws upon Foucault's idea that the order of things, defined as the way we categorise our world, matters for how we think about the world and ourselves. Specifically, and drawing upon Pekrun's control-value theory, we focus on the question of whether the way we individually order our world into categories influences how we think about our typically experienced emotions related to these categories. To investigate this phenomenon, we used a globally accessible example, namely, the categorisation of knowledge based on school subjects.

COVID-19 Related Stresses, Conspiracy Beliefs, Uncertainty, and Non-adherence to Safety Guidelines.

Introduction: Inconsistent use of protective preventive measures and nonadherence of the guidelines set by the World Health Organization regarding the coronavirus are associated with increased morbidity and mortality, as well as increased health care costs.

Objective: The purpose of this study was to examine the role of COVID-19 related worries, conspiracy beliefs, and uncertainty in adherence to preventative measures in Iran.

Method: In a large survey with data collected online from a volunteer sample of 599 individuals, assessments were made of the distress associated with the anticipated potential consequences associated with the COVID-19 pandemic and the lockdown, extent of agreement with conspiracy beliefs, level of situation-specific uncertainty, and self-reports of compliance with preventive measures.

Which Physical Phenomena Determine the Ionization Potential of Liquid Water?

Understanding and predicting the properties of molecular liquids from the corresponding properties of the individual molecules is notoriously difficult because there is cooperative behavior among the molecules in the liquid. This is particularly relevant for water, where even the most fundamental molecular properties, such as the dipole moment, are radically different in the liquid compared to the gas phase. In this work, we focus on the ionization potential (IP) of liquid water by dissecting its individual contributions from the individual molecules making up the liquid.

Evaluation of a novel porous antimicrobial media for industrial and HVAC water biocontrol.

A novel treatment method, consisting of pea-gravel with a marine coating supplemented with alkyldimethylbenzylammonium chloride (ADBAC or benzalkonium chloride), has been examined for its antimicrobial performance and coating stability in aqueous environments. Initial column studies examining the porous media's ability to reduce bacterial loads in heating, ventilation, and air conditioning (HVAC) water found average reductions of 94% from pre-flush levels (10 colony forming unit (CFU)/mL) when assessed with R2A spread plates and 83% reductions with SimPlates. There was no observed statistical difference between the average of pre- and post-flush waters from four tests of the media without ADBAC.

Women of color and the hidden curriculum of school psychology doctoral programs.

Doctoral training programs educate future practitioners, scholars, and researchers. They therefore are an important site of inquiry for critical school psychologists interested in interrogating and confronting the inequities that exist within the field. We conducted four focus groups with 15 Black, Indigenous, and Women of Color (BIWOC) students in various APA-accredited school psychology Ph.

Interaction of genetic liability for attention deficit hyperactivity disorder (ADHD) and perinatal inflammation contributes to ADHD symptoms in children.

Objective: Genetic and environmental factors contribute to the development of Attention Deficit/Hyperactivity Disorder (ADHD). Perinatal inflammation is one of the promising environmental risk factors for ADHD, but the relationship between the genetic risk for ADHD and perinatal inflammation requires further examination.

Methods: A possible gene-environmental interaction between perinatal inflammation and ADHD polygenic risk score (ADHD-PRS) on ADHD symptoms was investigated in children aged 8-9 from the Hamamatsu Birth Cohort for Mothers and Children (N = 531).

Comparison of traditional vs. lighter load strength training on fat-free mass, strength, power and affective responses in middle and older-aged adults: A pilot randomized trial.

Objectives: Strength training is widely recommended to improve strength, muscle mass and power. However, the feasibility and potential efficacy of strength training using lighter loads near failure on these outcomes in middle and older-aged adults remains unclear.

Methods: 23 community-living adults were randomized into two groups: Traditional strength training (ST) (8-12 repetitions) or a lighter load, higher repetitions (LLHR) (20-24 repetitions) group.

Association of maternal exposure to Superstorm Sandy and maternal cannabis use with development of psychopathology among offspring: the Stress in Pregnancy Study.

Background: Early-life adverse experiences can elevate the magnitude of the risk of developmental psychopathology, but the potential synergistic effects of multiple factors have not been well studied.

Aims: To determine whether prenatal exposures to maternal stress (Superstorm Sandy) and maternal cannabis use synergistically alter the risk of developmental psychopathology.

Method: The study included 163 children (53.

A comparison between the FlowCam 8100, microscopy, and sandwich hybridization assay for quantifying abundances of the saxitoxin-producing dinoflagellate, Alexandrium catenella.

Light microscopy, FlowCam, and sandwich hybridization assay (SHA) are three approaches that facilitate the monitoring of harmful algal bloom (HAB) forming phytoplankton. Yet, cross-comparisons among these techniques have not been conducted. This study addressed that gap using the saxitoxin-producing 'red tide' dinoflagellate Alexandrium catenella, a species responsible for blooms and paralytic shellfish poisoning worldwide.