Stab-Wound Mouse Model for Studying Hemorrhage and Inflammation in Traumatic Brain Injury.

Traumatic brain injury (TBI) results from physical damage, often caused by accidents or sports-related incidents. The causes of TBI are diverse, including concussions, brain contusions, hematomas, and skull fractures. To replicate these different causes, various TBI mouse models have been developed using distinct protocols.

Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.

Independently stacked positively and negatively charged π-electronic systems in charge-segregated columnar structures are desired for electronic properties derived from their electron-deficient and -rich assembling states, respectively. An expanded π-electronic cation, benzoporphyrin Au complex, was synthesized as the component of ion pairs in combination with counteranions. In contrast to benzoporphyrin, which is known for its insolubility in organic solvents, the ion pairs with bulky anions in this study are soluble in common organic solvents.

Long-term cardiovascular outcomes after percutaneous coronary intervention in patients with systemic sclerosis.

Background: Recent data have shown that systemic sclerosis (SSc) is a significant risk factor for coronary artery disease (CAD) and poorer cardiovascular outcomes in the setting of acute coronary syndrome. However, the morphological characteristics of CAD and the long-term cardiovascular outcomes in patients with concurrent SSc and CAD remain unclear.

Methods: We retrospectively investigated 3,300 patients with CAD who underwent percutaneous coronary intervention (PCI) without prior myocardial infarction or coronary artery revascularization.

Racemic Assembly of Octahedral Metallomesogens via Δ-Λ Chiral Interaction: Detection of Novel VCD Signals in Quasi-Racemate.

The liquid crystalline columnar assemblies have been developed by using racemic metal complexes with Δ, Λ chirality (M-C8, M = Ru or Ir) as mesogens. A racemic M-C8 exhibits rectangular columnar (Col) and hexagonal columnar (Col) phases upon cooling from their isotropic phases, which are analyzed by the combination of grazing-incidence X-ray diffraction (GI-XRD) measurements and molecular dynamics (MD) simulation. In the Col phase, with lattice parameter a = 3.

Molecular dynamics simulation to predict assembly structures of bowl-shaped π-conjugated molecules.

The proposed computational method using molecular dynamics simulation investigating the structural stability and dynamics of the molecular assembly could predict bulk crystal structures for the rationally designed bowl-shaped π-conjugated molecules. In addition, the process of the formation of the columnar assemblies was reproduced by our simulated annealing simulation.

Atomistic analysis of nematic phase transition in 4-cyano-4'-n-alkyl biphenyl liquid crystals: Sampling for the first-order phase transition and the free-energy decomposition.

Molecular dynamics simulations were conducted using the generalized replica exchange method (gREM) on the 4-cyano-4'-n-alkyl biphenyl (nCB) system with n = 5, 6, 7, and 8, which exhibits a nematic-isotropic (NI) phase transition. Sampling near the phase transition temperature in systems undergoing first-order phase transitions, such as the NI phase transition, is demanding due to the substantial energy gap between the two phases. To address this, gREM, specifically designed for first-order phase transitions, was utilized to enhance sampling near the NI phase transition temperature.

Ratiometric Imaging for Quantification of Elevated Ca in Neurons Using Synthetic Low-Affinity Fluorescent Probe.

The availability of various calcium ion (Ca) fluorescent probes has contributed to revealing physiological events related to intracellular Ca. However, conventional probes face challenges for quantitatively and selectively visualizing high Ca concentrations in cells induced by any stimuli, including biomolecules or electrical signal that disrupt Ca homeostasis. In this report, we designed and synthesized a low-affinity ratiometric Ca probe, , utilizing -aminophenol--diacetate--methylene-methylphosphinate (APDAP) as a ligand, for which we recently demonstrated the suitability as a new low-affinity ligand for Ca.

jPOST environment accelerates the reuse and reanalysis of public proteome mass spectrometry data.

jPOST (https://jpostdb.org/) comprises jPOSTrepo (https://repository.jpostdb.

The Proteomics Standards Initiative Standardized Formats for Spectral Libraries and Fragment Ion Peak Annotations: mzSpecLib and mzPAF.

Mass spectral libraries are collections of reference spectra, usually associated with specific analytes from which the spectra were generated, that are used for further downstream analysis of new spectra. There are many different formats used for encoding spectral libraries, but none have undergone a standardization process to ensure broad applicability to many applications. As part of the Human Proteome Organization Proteomics Standards Initiative (PSI), we have developed a standardized format for encoding spectral libraries, called mzSpecLib (https://psidev.

Lithium-ion batteries with fluorinated mesogen-based liquid-crystalline electrolytes: molecular design towards enhancing oxidation stability.

Two-dimensional (2D) nanostructured liquid crystals containing fluorinated cyclohexylphenyl and cyclic carbonate moieties have been developed as quasi-solid-state self-organized electrolytes for safe lithium-ion batteries. We have designed lithium ion-conductive liquid-crystalline (LC) materials with fluorine substituents on mesogens for improved oxidation stability. Computational studies suggest that the fluorination of mesogens lowers the highest occupied molecular orbital (HOMO) level of LC molecules and improves their oxidation resistance as electrolytes.

The effect of drugs and guns on life expectancy in the United States, 2000-2020.

Objectives: This study estimated the effect of changing trends in drug- and firearm-related mortality on life expectancy in the U.S. over the last two decades.

Macrocyclic Parallel Dimer Showing Quantum Coherence of Quintet Multiexcitons at Room Temperature.

Singlet fission (SF) is a promising approach in quantum information science because it can generate spin-entangled quintet triplet pairs by photoexcitation independent of temperature. However, it is still challenging to rationally achieve quantum coherence at room temperature, which requires precise control of the orientation and dynamics of triplet pairs. Here we show that the quantum coherence of quintet multiexcitons can be achieved at room temperature by arranging two pentacene chromophores in parallel and in close proximity within a macrocycle.

Molecular dynamics simulations reveal differences in the conformational stability of FtsZs derived from Staphylococcus aureus and Bacillus subtilis.

FtsZ is highly conserved among bacteria and plays an essential role in bacterial cell division. The tense conformation of FtsZ bound to GTP assembles into a straight filament via head-to-tail associations, and then the upper subunit of FtsZ hydrolyzes GTP bound to the lower FtsZ subunit. The subunit with GDP bound disassembles accompanied by a conformational change in the subunit from the tense to relaxed conformation.

VeloPro: A pipeline integrating Ribo-seq and AlphaFold deciphers association patterns between translation velocity and protein structure features.

VeloPro integrates Ribo-seq data and AlphaFold2-predicted 3D protein structure information for characterization of the association patterns between translation velocity and many protein structure features in prokaryotic and eukaryotic organisms across different taxonomical clades such as bacteria, fungi, protozoa, nematode, plants, insect, and mammals. We illustrated that association patterns between translation velocity and protein structure features differ across organisms, partially reflecting their taxonomical relationship.

Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.

Norcorrole derivatives with 3,4,5-trialkoxyphenyl moieties at the positions were synthesized to form various stacking assemblies in single crystals and thermotropic liquid crystals (LCs) depending on aliphatic chain lengths. Triple-decker stacking structures were formed the interactions between the antiaromatic systems formed for the butoxy and dodecyloxy derivatives in the single-crystal and LC states, respectively. In particular, the LC state exhibited discotic columnar structures comprising triple deckers to exhibit high electric conductivity, as supported by molecular dynamics simulations.

Rational design of pH-responsive near-infrared spirocyclic cyanines: the effects of substituents and the external environment.

pH-responsive spirocyclic cyanine dyes were designed and synthesized. The equilibrium constant for cyclization (p) could be rationally controlled by changing the nucleophilic moiety and the side chains. Encapsulation in polymeric micelles inhibited the H-aggregation of the dye, and the p could be shifted according to the amphiphilic polymer employed.

Genetic diversity of murine norovirus populations less susceptible to chlorine.

High genetic diversity in RNA viruses contributes to their rapid adaptation to environmental stresses, including disinfection. Insufficient disinfection can occur because of the emergence of viruses that are less susceptible to disinfection. However, understanding regarding the mechanisms underlying the alteration of viral susceptibility to disinfectants is limited.

Live Cell Monitoring of Separase Activity, a Key Enzymatic Reaction for Chromosome Segregation, with Chimeric FRET-Based Molecular Sensor upon Cell Cycle Progression.

Separase is a key cysteine protease in the separation of sister chromatids through the digestion of the cohesin ring that inhibits chromosome segregation as a trigger of the metaphase-anaphase transition in eukaryotes. Its activity is highly regulated by binding with securin and cyclinB-CDK1 complex. These bindings prevent the proteolytic activity of separase until the onset of anaphase.

Performance changes due to differences among annotating radiologists for training data in computerized lesion detection.

Purpose: The quality and bias of annotations by annotators (e.g., radiologists) affect the performance changes in computer-aided detection (CAD) software using machine learning.

Correction: Water-dispersible donor-acceptor-donor π-conjugated bolaamphiphiles enabling a humidity-responsive luminescence color change.

Correction for 'Water-dispersible donor-acceptor-donor π-conjugated bolaamphiphiles enabling a humidity-responsive luminescence color change' by Tomoya Enjou , , 2024, https://doi.org/10.1039/d3cc05749f.