Approach to construct fast and robust local reference frames based on a point cloud.

The construction of local reference frames (LRFs) holds a foundational role with widespread application spanning the realms of point cloud registration, object recognition, etc. This work proposes a simple and efficient method for constructing the LRFs. First, the -axis is obtained by constructing the covariance matrix of the de-centered coordinates of the neighborhood points and resolving the sign ambiguity.

Molecular Insights into the Effects of Cushion Gas on Underground Hydrogen Storage.

In underground hydrogen storage (UHS), a cushion gas is commonly used to provide pressure support to assist the withdrawal of hydrogen. Molecular dynamics (MD) simulations of the H + cushion gas + water ternary system were conducted at 323-448 K and 20-150 MPa. We considered N, CH, and CO as a cushion gas candidate, with H mole fractions in the gas-rich phase = 0.

Deciphering Coulombic Efficiency of Lithium Metal Anodes by Screening Electrolyte Properties.

Coulombic efficiency (CE) is a quantifiable indicator for the reversibility of lithium metal anodes in high-energy-density batteries. However, the quantitative relationship between CE and electrolyte properties has yet to be established, impeding rational electrolyte design. Herein, an interpretable model for estimating CE based on data-driven insights of electrolyte properties is proposed.

Immunoglobulin G N-Glycosylation and Inflammatory Factors: Analysis of Biomarkers for the Diagnosis of Moyamoya Disease.

Purpose: N-glycosylation-modified immunoglobulin G (IgG) is crucial for managing the inflammatory response balance and significantly influences the progression of many inflammatory disorders. IgG N-glycosylation has been demonstrated to correlate with many risk factors for moyamoya disease (MMD), such as hypertension, diabetes, and dyslipidemia. This research aimed to evaluate the diagnostic efficacy of IgG N-glycosylation for MMD.

Molecular Structure and Thermodynamics of CO and Water Adsorption on Mica.

The adsorption of CO and water on clay surfaces plays a key role in applications, such as gas storage in saline aquifers and depleted hydrocarbon reservoirs, but is not yet fully understood. Here, we study the adsorption of CO and water vapor using Grand Canonical Monte Carlo and molecular dynamics simulations. At a bulk pressure of 100 bar, pure CO adsorbs strongly on mica and forms extensive layers next to it.

Two-Stage Solvation of Lithium Polysulfides in Working Lithium-Sulfur Batteries.

Lithium-sulfur (Li-S) batteries are promising in achieving high energy density but inferior in cycling lifespan since Li polysulfides (LiPSs) corrode Li metal anode. Weakening the electrolyte solvating power (ESP) for LiPSs effectively mitigates anodic corrosion but inevitably retards cathodic reaction kinetics. Herein, the correlation between the ESP and the LiPS redox kinetics in weakly solvating electrolyte is unveiled for achieving high-performance Li-S batteries.

Estimating fluid-solid interfacial free energies for wettabilities: A review of molecular simulation methods.

Fluid-solid interfacial free energy (IFE) is a fundamental parameter influencing wetting behaviors, which play a crucial role across a broad range of industrial applications. Obtaining reliable data for fluid-solid IFE remains challenging with experimental and semi-empirical methods, and the applicability of first-principle theoretical methods is constrained by a lack of accessible computational tools. In recent years, a variety of molecular simulation methods have been developed for determining the fluid-solid IFE.

Adsorption of drugs on BN and AlN nanocages.

The adsorption behavior of twelve drug molecules (5-fluorouracil, nitrosourea, pyrazinamide, sulfanilamide, ethionamide, 6-thioguanine, ciclopirox, 6-mercaptopurine, isoniazid, metformin, 4-aminopyridine, and cathinone) on BN and AlN nanocages was studied using density functional theory. In general, the drug molecules prefer to bind with the boron atom of the BN nanocage and the aluminium atoms of the AlN nanocage. However, a hydrogen atom is transferred from each of 5-fluorouracil, nitrosourea, 6-thioguanine, ciclopirox, and 6-mercaptopurine to the nitrogen atom of the AlN nanocage.

Soret and dufour impacts on radiative power-law fluid flow via continuously stretchable surface with varying viscosity and thermal conductivity.

The intricate dynamics of mixed convective thermic and species transport in a power-law flowing fluid through a continuously stretched surface are investigated. The uniqueness of this study lies in the consideration of fluid variable thermic conductivity and viscosity, which introduces a higher degree of realism into the analysis. The transformation of similarity is used to transform the fundamental governing equations, and after that, the set of equations is processed numerically utilizing a non-similarity local approach.

Lactylation of nuclear receptor coactivator 4 promotes ferritinophagy and glycolysis of neuronal cells after cerebral ischemic injury.

Ischemic stroke remains a major cause of disability and mortality. Nuclear receptor coactivator 4 (NCOA4)-mediated ferritinophagy is involved in cerebral ischemic injury. Additionally, lactylation regulates the progression of ischemia injury.

Density functional theory study of doped coronene and circumcoronene as anode materials in lithium-ion batteries.

Density functional theory calculations are carried out to investigate the adsorption properties of Li and Li on twenty-four adsorbents obtained by replacement of C atoms of coronene (CH) and circumcoronene (CH) by Si/N/BN/AlN units. The molecular electrostatic potential (MESP) analysis show that such replacements lead to an increase of the electron-rich environments in the molecules. Li is relatively strongly adsorbed on all adsorbents.

Implementation of contact line motion based on the phase-field lattice Boltzmann method.

This paper proposes a strategy to implement the free-energy-based wetting boundary condition within the phase-field lattice Boltzmann method. The greatest advantage of the proposed method is that the implementation of contact line motion can be significantly simplified while still maintaining good accuracy. For this purpose, the liquid-solid free energy is treated as a part of the chemical potential instead of the boundary condition, thus avoiding complicated interpolations with irregular geometries.

Flow and Heat Transfer of CoFeO-Blood Due to a Rotating Stretchable Cylinder under the Influence of a Magnetic Field.

The flow and heat transfer of a steady, viscous biomagnetic fluid containing magnetic particles caused by the swirling and stretching motion of a three-dimensional cylinder has been investigated numerically in this study. Because fluid and particle rotation are different, a magnetic field is applied in both radial and tangential directions to counteract the effects of rotational viscosity in the flow domain. Partial differential equations are used to represent the governing three-dimensional modeled equations.

Alternative pre-mRNA splicing in stem cell function and therapeutic potential: A critical review of current evidence.

Alternative splicing is a crucial regulator in stem cell biology, intricately influencing the functions of various biological macromolecules, particularly pre-mRNAs and the resultant protein isoforms. This regulatory mechanism is vital in determining stem cell pluripotency, differentiation, and proliferation. Alternative splicing's role in allowing single genes to produce multiple protein isoforms facilitates the proteomic diversity that is essential for stem cells' functional complexity.

Interfacial properties of the brine + carbon dioxide + oil + silica system.

Molecular dynamics simulations of the H2O + CO2 + aromatic hydrocarbon and H2O + CO2 + benzene + silica (hydrophilic) systems are performed to gain insights into CO2-enhanced oil recovery (EOR) processes. For comparison purposes, an overview of the previous simulation studies of the interfacial properties of the brine + CO2 + alkane + silica system is also presented. In general, the water contact angle (CA) of the H2O + CO2 + silica (hydrophilic) system increased with pressure and decreased with temperature.

Fractured Geothermal Reservoir Using CO as Geofluid: Numerical Analysis and Machine Learning Modeling.

The effect of natural fractures, their orientation, and their interaction with hydraulic fractures on the extraction of heat and the extension of injection fluid are fully examined. A fully coupled and dynamic thermo-hydro-mechanical (THM) model is utilized to examine the behavior of a fractured geothermal reservoir with supercritical CO as a geofluid. The interaction between natural fracture and hydraulic fracture, as well as the type and location of geofluids, influences the production temperature, thermal strain, mechanical strains, and effective stress in rock/fractures in the reservoir.

Development and validation of a short-form suboptimal health status questionnaire.

Background: Suboptimal health status (SHS) is a reversible, borderline state between optimal health and disease. Although this condition's definition is widely understood, related questionnaires must be developed to identify individuals with SHS in various populations relative to predictive, preventive, and personalized medicine (PPPM/3PM). This study presents a short-form suboptimal health status questionnaire (SHSQ-SF) that appears to possess sufficient reliability and validity to assess SHS in large-scale populations.

Predicting wettability of mineral/CO/brine systems via data-driven machine learning modeling: Implications for carbon geo-sequestration.

Effectively storing carbon dioxide (CO) in geological formations synergizes with algal-based removal technology, enhancing carbon capture efficiency, leveraging biological processes for sustainable, long-term sequestration while aiding ecosystem restoration. On the other hand, geological carbon storage effectiveness depends on the interactions and wettability of rock, CO, and brine. Rock wettability during storage determines the CO/brine distribution, maximum storage capacity, and trapping potential.

Molecular insights into fluid-solid interfacial tensions in water + gas + solid systems at various temperatures and pressures.

The fluid-solid interfacial tension is of great importance to many applications including the geological storage of greenhouse gases and enhancing the recovery of geo-resources, but it is rarely studied. Extensive molecular dynamics simulations are conducted to calculate fluid-solid interfacial properties in H2O + gas (H2, N2, CH4, and CO2) + rigid solid three-phase systems at various temperatures (298-403 K), pressures (0-100 MPa), and wettabilities (hydrophilic, neutral, and hydrophobic). Our results on the H2O + solid system show that vapor-solid interfacial tension should not be ignored in cases where the fluid-solid interaction energy is strong or the contact angle is close to 90°.

Remediation materials for the immobilization of hexavalent chromium in contaminated soil: Preparation, applications, and mechanisms.

Hexavalent chromium is a toxic metal that can induce severe chromium contamination of soil, posing a potential risk to human health and ecosystems. In recent years, the immobilization of Cr(VI) using remediation materials including inorganic materials, organic materials, microbial agents, and composites has exhibited great potential in remediating Cr(VI)-contaminated soil owing to the environmental-friendliness, short period, simple operation, low cost, applicability on an industrial scale, and high efficiency of these materials. Therefore, a systematical summary of the current progress on various remediation materials is essential.

Root canal treatment of a six-canal first mandibular molar with extensive periapical lesion: A case report.

Rationale: There is an increasing tendency for case reports to reveal anatomical aberrances in mandibular first molars, such as the lateral and accessory canals. Thus, clinicians should pay special attention to anatomic variances when dealing with mandibular first molars requiring endodontic treatment to prevent reinfection within the root canal system, which is responsible for the failure of root canal treatment.

Patient Concerns: This article presents the clinical report and successful root canal treatment of a 24-year-old healthy female patient with an extensive periapical lesion in a 6-canal first mandibular molar.

Reforming the Uniformity of Solid Electrolyte Interphase by Nanoscale Structure Regulation for Stable Lithium Metal Batteries.

The stability of high-energy-density lithium metal batteries depends on the uniformity of solid electrolyte interphase (SEI) on lithium metal anodes. Rationally improving SEI uniformity is hindered by poorly understanding the effect of structure and components of SEI on its uniformity. Herein, a bilayer structure of SEI formed by isosorbide dinitrate (ISDN) additives in localized high-concentration electrolytes was demonstrated to improve SEI uniformity.

Transport of Heptane Molecules across Water-Vapor Interfaces Laden with Surfactants.

Molecular transport across liquid-vapor interfaces covered by surfactant monolayers plays a key role in applications such as fire suppression by foams. The molecular understanding of such transport, however, remains incomplete. This work uses molecular dynamics simulations to investigate the heptane transport across water-vapor interfaces populated with sodium dodecyl sulfate (SDS) surfactants.