Stress is the main cause of mood disorders such as depression and posttraumatic stress disorder. Individuals respond to stress differently, as some develop depressive symptoms, whereas others successfully cope with adversity, but it remains unclear what makes some particularly vulnerable to stress. The chronic social defeat stress (CSDS) mouse model, an ethologically valid rodent model that exhibits long-term physiological and behavioral phenotypes similar to depression and anxiety, can imitate individual differences in stress responses in humans. In this review, we not only summarize various behavioral deficits of the CSDS mouse model that were reported since its establishment but also concentrate on modified CSDS mouse models that have been developed in recent years, aiming at providing useful information for future research and application of this model. (PsycInfo Database Record (c) 2020 APA, all rights reserved).We use a simple two-trial odor recognition paradigm to test memory duration, span, and specificity in adult mice. Our paradigm allows mice to encode and/or recall multiple odors in one trial and necessitates no training or food/water deprivation. We show that this paradigm can be used for encoding and/or testing of multiple odors in single trials, leading to shorter behavioral testing. Using this simple paradigm, we show that mice can remember a single odor for up to 10 but no more than 15 min and two odors for up to 5 min. Mice could not remember 3 odors at any delays tested here. We also show that specificity for the encoded odor decreases as delay increases. Our results are important for setting baseline levels of testing for experiments in which memory parameters are expected to be modulated. (PsycInfo Database Record (c) 2020 APA, all rights reserved).

This study captured the interrelationships among craving, negative affect, and positive and negative social exchanges in the daily lives of patients in residential treatment for opioid use disorders (OUDs).

Participants were 73 patients (77% male), age 19 to 61 (Mage = 30.10, SDage = 10.13) in residential treatment for OUD. Participants completed a smartphone-based survey 4 times per day for 12 consecutive days that measured positive and negative social exchanges (Test of Negative Social Exchange), negative affect (PA-NA scales), and craving (frequency and intensity). Within-person, day-level associations among daily positive and negative social exchanges, negative affect, and craving were examined using multilevel modeling.

Daily negative social exchanges (M = 1.44, SD = 2.27) were much less frequent than positive social exchanges (M = 6.59, SD = 4.00) during residential treatment. Whereas negative social exchanges had a direct association with same-day craving (β = 0.08; 95% CI = 0.01, 0.16, ΔR2 = 0.0l rights reserved).An S-selective arylation of pyridylsulfides with good functional group tolerance was developed. To demonstrate synthetic utility, the resulting pyridylsulfonium salts were used in a scalable transition-metal-free coupling protocol, yielding functionalized bipyridines with extensive functional group tolerance. This modular methodology permits selective introduction of functional groups from commercially available pyridyl halides, furnishing symmetrical and unsymmetrical 2,2′- and 2,3′-bipyridines. Iterative application of the methodology enabled the synthesis of a functionalized terpyridine with three different pyridine components.The atomic-level understanding of the dynamic evolution of the surface structure of bimetallic nanoparticles under industrially relevant operando conditions provides a key guide for improving their catalytic performance. Here, we exploit operando X-ray absorption fine structure spectroscopy to determine the dynamic surface reconstruction of Cu/Au bimetallic alloy where single-atom Cu was embedded on the Au nanoparticle, under electrocatalytic conditions. We identify the migration of isolated Cu atoms from the vertex position of the Au nanoparticle to the stable (100) plane of the Au first atom layer, when the reduction potential is applied. Density functional theory calculations reveal that the surface atom migration would significantly modulate the Au electronic structure, thus serving as the real active site for the catalytic performance. These findings demonstrate the real structural change under electrochemical conditions and provide guidance for the rational design of high-activity bimetallic nanocatalysts.Performing bottom-up synthesis by using molecules adsorbed on a surface is an effective method to yield functional polycyclic aromatic hydrocarbons (PAHs) and nanocarbon materials. The intramolecular cyclodehydrogenation of hydrocarbons is a critical process in this synthesis; however, thus far, its elementary steps have not been elucidated thoroughly. In this study, we utilize the metal tip of a low-temperature noncontact atomic force microscope as a manipulable metal surface to locally activate dehydrogenation for PAH-forming cyclodehydrogenation. This method leads to the dissociation of a H atom of an intermediate to yield the cyclodehydrogenated product in a target-selective and reproducible manner. We demonstrate the metal-tip-catalyzed dehydrogenation for both benzenoid and nonbenzonoid PAHs, suggesting its universal applicability as a catalyst for nanographene synthesis.An efficient basis representation of time-dependent wavefunctions is essential for theoretical studies of high-dimensional molecular systems exhibiting large-amplitude motion. For fully coupled anharmonic systems, the complexity of a general wavefunction scales exponentially with the system size; therefore, for practical reasons, it is desirable to adapt the basis to the time-dependent wavefunction at hand. Often times on this quest for a minimal basis representation, time-dependent Gaussians are employed, in part because of their localization in both configuration and momentum spaces and also because of their direct connection to classical and semiclassical dynamics, guiding the evolution of the basis function parameters. In this work, the quantum-trajectory guided adaptable Gaussian (QTAG) bases method [ J. Chem. Theory Comput. 2020, 16, 18-34] is generalized to include correlated, i.e., non-factorizable, basis functions, and the performance of the QTAG dynamics is assessed on benchmark system/bath tunneling models of up to 20 dimensions. For the popular choice of initial conditions describing tunneling between the reactant/product wells, the minimal „semiclassical” description of the bath modes using essentially a single multidimensional basis function combined with the multi-Gaussian representation of the tunneling mode is shown to capture the dominant features of dynamics in a highly efficient manner.Nanoscale imine-linked covalent organic frameworks (nCOFs) were first loaded with the anticancer drug Doxorubicin (Dox), coated with magnetic iron oxide nanoparticles (γ-Fe2O3 NPs), and stabilized with a shell of poly(l-lysine) cationic polymer (PLL) for simultaneous synergistic thermo-chemotherapy treatment and MRI imaging. The pH responsivity of the resulting nanoagents (γ-SD/PLL) allowed the release of the drug selectively within the acidic microenvironment of late endosomes and lysosomes of cancer cells (pH 5.4) and not in physiological conditions (pH 7.4). γ-SD/PLL could efficiently generate high heat (48 °C) upon exposure to an alternating magnetic field due to the nCOF porous structure that facilitates the heat conduction, making γ-SD/PLL excellent heat mediators in an aqueous solution. The drug-loaded magnetic nCOF composites were cytotoxic due to the synergistic toxicity of Dox and the effects of hyperthermia in vitro on glioblastoma U251-MG cells and in vivo on zebrafish embryos, but they were not significantly toxic to noncancerous cells (HEK293). To the best of our knowledge, this is the first report of multimodal MRI probe and chemo-thermotherapeutic magnetic nCOF composites.Using both multi-informative molecular network and score-based approaches as prioritization strategies, the Northeastern Atlantic marine terebellid Eupolymnia nebulosa was selected for in-depth chemical investigation. A family of 16 new metabolites named nebulosins was isolated and structurally characterized from extensive analyses of HRMS/MS and NMR spectroscopic data. Nebulosins feature an unprecedented highly substituted thiolane ring leading to up to four contiguous chiral centers. The relative configurations were assigned through a combination of NOESY analysis, spin-spin coupling constant analysis, and NMR chemical shifts measurements, while the absolute configurations were determined by comparison between experimental and theoretical ECD spectra. This family of natural product exhibits promising antioxidant activities in both ORAC and ROS assays.Fluorescent molecules, fluorophores or dyes, play essential roles in bioimaging. Effective bioimaging requires fluorophores with diverse colors and high quantum yields for better resolution. An essential computational component to design novel dye molecules is an accurate model that predicts the electronic properties of molecules. Here, we present statistical machines that predict the excitation energies and associated oscillator strengths of a given molecule using the random forest algorithm. The excitation energies and oscillator strengths of a molecule are closely related to the emission spectrum and the quantum yields of fluorophores, respectively. In this study, we identified specific molecular substructures that induce high oscillator strengths of molecules. The results of our study are expected to serve as new design principles for designing novel fluorophores.The controlled generation of hydrogen sulfide (H2S) under biologically relevant conditions is of paramount importance due to therapeutic interests. Via exploring the reactivity of a structurally characterized phenolate-bridged dinuclear zinc(II)-aqua complex LZnII(OH2)2(ClO4)2 (1a) as a hydrolase model, we illustrate in this report that complex 1a readily hydrolyses CS2 in the presence of Et3N to afford H2S. In contrast, penta-coordinated [ZnII] sites in dinuclear (LZnII)2(μ-X)(ClO4) complexes (7, X = OAc; 8, X = dimethylpyrazolyl) do not mediate CS2 hydrolysis in the presence of externally added water and Et3N presumably due to the unavailability of a coordination site for water at the [ZnII] centers. Moreover, [ZnII]-OH sites present in the isolated tetranuclear zinc(II) complex (LZnII)2(μ-OH)2(ClO4)2 (4) react with CS2, thereby suggesting that the [ZnII]-OH site serves as the active nucleophile. Furthermore, mass spectrometric analyses on the reaction mixture consisting of 1a/Et3N and CS2 suggest the involvement of zinc(II)-thiocarbonate (3a) and COS species, thereby providing mechanistic insights into CS2 hydrolysis mediated by the dinuclear [ZnII] hydrolase model complex 1a.A practical two-step synthesis of N,N’-disubstituted cyanamides consists in the low-temperature metalation of N-substituted 5H-tetrazoles that undergo spontaneous cycloreversion at 0 °C releasing dinitrogen, and forming N-metalated cyanamides that can be reacted in situ with a variety of electrophiles. Remarkably, the N-substituted Li and K cyanamides are air stable white solids at room temperature. Addition of lithium organometallics to the N,N’-disubstituted cyanamides provides a new method for accessing N,N’-disubstituted amidines.