Operator Scaling Dimensions and Multifractality at Measurement-Induced Transitions.

Repeated local measurements of quantum many-body systems can induce a phase transition in their entanglement structure. These measurement-induced phase transitions (MIPTs) have been studied for various types of dynamics, yet most cases yield quantitatively similar critical exponents, making it unclear how many distinct universality classes are present. Here, we probe the properties of the conformal field theories governing these MIPTs using a numerical transfer-matrix method, which allows us to extract the effective central charge, as well as the first few low-lying scaling dimensions of operators at these critical points for (1+1)-dimensional systems.

Exploring the effects of genetic variation on gene regulation in cancer in the context of 3D genome structure.

Background: Numerous genome-wide association studies (GWAS) conducted to date revealed genetic variants associated with various diseases, including breast and prostate cancers. Despite the availability of these large-scale data, relatively few variants have been functionally characterized, mainly because the majority of single-nucleotide polymorphisms (SNPs) map to the non-coding regions of the human genome. The functional characterization of these non-coding variants and the identification of their target genes remain challenging.

Complexation of Lignin Dimers with β-Cyclodextrin and Binding Stability Analysis by ESI-MS, Isothermal Titration Calorimetry, and Molecular Dynamics Simulations.

Lignin derived from lignocellulosic biomass is the largest source of renewable bioaromatics present on earth and requires environmentally sustainable separation strategies to selectively obtain high-value degradation products. Applications of supramolecular interactions have the potential to isolate lignin compounds from biomass degradation fractions by the formation of variable inclusion complexes with cyclodextrins (CDs). CDs are commonly used as selective adsorbents for many applications and can capture guest molecules in their internal hydrophobic cavity.

Influence of state reopening policies in COVID-19 mortality.

By the end of May 2020, all states in the US have eased their COVID-19 mitigation measures. Different states adopted markedly different policies and timing for reopening. An important question remains in how the relaxation of mitigation measures is related to the number of casualties.

Computerized analysis of facial expressions in serious mental illness.

Blunted facial affect is a transdiagnostic component of Serious Mental Illness (SMI) and is associated with a host of negative outcomes. However, blunted facial affect is a poorly understood phenomenon, with no known cures or treatments. A critical step in better understanding its phenotypic expression involves clarifying which facial expressions are altered in specific ways and under what contexts.

Intruder Peak-Free Transient Inner-Shell Spectra Using Real-Time Simulations.

Real-time methods are convenient for simulating core-level absorption spectra but suffer from nonphysical intruder peaks when using atom-centered basis sets. In transient absorption spectra, these peaks exhibit highly nonphysical time-dependent modulations in their energies and oscillator strengths. In this paper, we address the origins of these intruder peaks and propose a straightforward and effective solution based on a filtered dipole operator.

Sharing positive events: Ecological momentary assessment of emotion regulation via social capitalization in schizotypy.

Emotional deficits are prominent in schizophrenia-spectrum psychopathology and linked with poorer outcomes. Schizotypy, an underlying personality organization that putatively confers vulnerability to developing schizophrenia, has been associated with increased negative affect, decreased positive affect, and some difficulty with emotion regulation. This study explored the role of social capitalization, the upregulation of positive emotion when positive life events are shared with others, in schizotypy.

Growth Dynamics of Colloidal Silver-Gold Core-Shell Nanoparticles Studied by Second Harmonic Generation and Extinction Spectroscopy.

The growth dynamics of colloidal silver-gold core-shell (Ag@Au CS) nanoparticles (NPs) in water are monitored in a stepwise synthesis approach using time-dependent second harmonic generation (SHG) and extinction spectroscopy. Three sequential additions of chloroauric acid, sodium citrate, and hydroquinone are added to the silver nanoparticle solution to grow a gold shell around a silver core. The first addition produces a stable urchin-like surface morphology, while the second and third additions continue to grow the gold shell thickness as the surface becomes more smooth and uniform, as determined using transmission electron microscopy.

Analyzing a phenological anomaly in Yucca of the southwestern United States.

Yucca in the American desert Southwest typically flowers in early spring, but a well-documented anomalous bloom event occurred during an unusually cold and wet late fall and early winter 2018-2019. We used community science photographs to generate flowering presence and absence data. We fit phenoclimatic models to determine which climate variables are explanatory for normal flowering, and then we tested if the same conditions that drive normal blooming also drove the anomalous blooming event.

Reduced turnaround times through multi-sectoral community collaboration during the first surge of SARS-CoV-2 and associated effect on patient care and hospital operations.

Background: In March 2020, an influx of admissions in COVID-19 positive patients threatened to overwhelm healthcare facilities in East Baton Rouge Parish, Louisiana. Exacerbating this problem was an overall shortage of diagnostic testing capability at that time, resulting in a delay in time-to-result return. An improvement in diagnostic testing availability and timeliness was necessary to improve the allocation of resources and ultimate throughput of patients.

GraphDTI: A robust deep learning predictor of drug-target interactions from multiple heterogeneous data.

Traditional techniqueset identification, we developed GraphDTI, a robust machine learning framework integrating the molecular-level information on drugs, proteins, and binding sites with the system-level information on gene expression and protein-protein interactions. In order to properly evaluate the performance of GraphDTI, we compiled a high-quality benchmarking dataset and devised a new cluster-based cross-validation p to identify macromolecular targets for drugs utilize solely the information on a query drug and a putative target. Nonetheless, the mechanisms of action of many drugs depend not only on their binding affinity toward a single protein, but also on the signal transduction through cascades of molecular interactions leading to certain phenotypes.

Molecular Dynamics Simulations of Nanostructures Formed by Hydrophobins and Oil in Seawater.

Classical molecular dynamics simulations using the Martini coarse-grained force field were performed to study oil nanodroplets surrounded by fungal hydrophobin (HP) proteins in seawater. The class I EAS and the class II HFBII HPs were studied along with two model oils, namely, benzene and -decane. Both HPs exhibit free energy minima at the oil-seawater interface, which is deeper in benzene compared to the -decane systems.

Validating Biobehavioral Technologies for Use in Clinical Psychiatry.

The last decade has witnessed the development of sophisticated biobehavioral and genetic, ambulatory, and other measures that promise unprecedented insight into psychiatric disorders. As yet, clinical sciences have struggled with implementing these objective measures and they have yet to move beyond "proof of concept." In part, this struggle reflects a traditional, and conceptually flawed, application of traditional psychometrics (i.

Molecular dynamics simulation study of the positioning and dynamics of α-tocopherol in phospholipid bilayers.

Using molecular dynamics simulations, we investigate the interaction of α-tocopherol (α-toc) with dipalmitoylphosphatidylcholine (DPPC), dimyristoylphosphatidylcholine (DMPC), palmitoyloleoylphosphatidylcholine (POPC), and palmitoyloleoylphosphatidylethanolamine (POPE) lipid bilayers. The goal is to develop a better understanding of the positioning and orientation of α-toc inside the bilayers; properties of significant relevance to α-toc anti-oxidant activity. We investigated bilayer systems with 128 lipids in the presence of either single or 14 α-toc molecules.

Behavior and properties of water in silicate melts under deep mantle conditions.

Water (HO) as one of the most abundant fluids present in Earth plays crucial role in the generation and transport of magmas in the interior. Though hydrous silicate melts have been studied extensively, the experimental data are confined to relatively low pressures and the computational results are still rare. Moreover, these studies imply large differences in the way water influences the physical properties of silicate magmas, such as density and electrical conductivity.

Molecular Modes of Attosecond Charge Migration.

First-principles calculations are employed to elucidate the modes of attosecond charge migration (CM) in halogenated hydrocarbon chains. We use constrained density functional theory (DFT) to emulate the creation of a localized hole on the halogen and follow the subsequent dynamics via time-dependent DFT. We find low-frequency CM modes (∼1  eV) that propagate across the molecule and study their dependence on length, bond order, and halogenation.

A Method for Repeated, Longitudinal Sampling of Individual for Transmission Potential of Arboviruses.

Mosquito-borne viruses are the cause of significant morbidity and mortality worldwide, especially in low- and middle-income countries. Assessing risk for viral transmission often involves characterization of the vector competence of vector-virus pairings. The most common determination of vector competence uses discreet, terminal time points, which cannot be used to investigate variation in transmission aspects, such as biting behavior, over time.

Bionoi: A Voronoi Diagram-Based Representation of Ligand-Binding Sites in Proteins for Machine Learning Applications.

Bionoi is a new software to generate Voronoi representations of ligand-binding sites in proteins for machine learning applications. Unlike many other deep learning models in biomedicine, Bionoi utilizes off-the-shelf convolutional neural network architectures, reducing the development work without sacrificing the performance. When initially generating images of binding sites, users have the option to color the Voronoi cells based on either one of six structural, physicochemical, and evolutionary properties, or a blend of all six individual properties.

Mapping static core-holes and ring-currents with X-ray scattering.

Measuring the attosecond movement of electrons in molecules is challenging due to the high temporal and spatial resolutions required. X-ray scattering-based methods are promising, but many questions remain concerning the sensitivity of the scattering signals to changes in density, as well as the means of reconstructing the dynamics from these signals. In this paper, we present simulations of stationary core-holes and electron dynamics following inner-shell ionization of the oxazole molecule.

Single Nucleotides Moving through Nanoslits Composed of Self-Assembled Monolayers via Equilibrium and Nonequilibrium Molecular Dynamics.

Nonequilibrium molecular dynamics (MD) simulations were used to study the effect of three chemical surface groups on the separation of DNA mononucleotide velocity (or time-of-flight) distributions as they pass through nanoslits. We used nanoslits functionalize with self-assembled monolayers (SAMs) since they have relatively smooth surfaces. The SAM molecules were terminated with either a methyl, methylformyl, or phenoxy group, and the nucleotides were driven electrophoretically with an electric field intensity of 0.

Phylogenomic Analysis of Global Isolates of Canid Alphaherpesvirus 1.

Canid alphaherpesvirus 1 (CHV-1) is a widespread pathogen of dogs with multiple associated clinical signs. There has been limited prior investigation into the genomics and phylogeny of this virus using whole viral genome analysis. Fifteen CHV-1 isolates were collected from animals with ocular disease based in the USA.

Adsorption of Myoglobin and Corona Formation on Silica Nanoparticles.

The adsorption of proteins from aqueous medium leads to the formation of protein corona on nanoparticles. The formation of protein corona is governed by a complex interplay of protein-particle and protein-protein interactions, such as electrostatics, van der Waals, hydrophobic, hydrogen bonding, and solvation. The experimental parameters influencing these interactions, and thus governing the protein corona formation on nanoparticles, are currently poorly understood.

The (b)link between amotivation and psychosis: Insights through phasic eye blink rate.

Motivation deficits within Schizophrenia Spectrum Disorders (SSDs) are associated with abnormal striatal dopamine responses during reward processing. Eye blink rate (EBR) has been used as a proxy for striatal dopamine; however, it is unclear whether EBR is sensitive to individual differences in amotivation. Amotivation (clinician-rated and self-reported) and EBR during an effort-based reward task were assessed in 28 outpatients with SSDs.

News from Horizons in Binary Black Hole Mergers.

In a binary black hole merger, it is known that the inspiral portion of the waveform corresponds to two distinct horizons orbiting each other and that the merger and ringdown signals correspond to the final horizon being formed and settling down to equilibrium. However, we still lack a detailed understanding of the relation between the horizon geometry in these three regimes and the observed waveform. Here we show that the well-known inspiral chirp waveform has a clear counterpart on black hole horizons, namely, the shear of the outgoing null rays at the horizon.