Universidad Autónoma de Madrid

Efficient Nonequilibrium Electron Dynamics from First-Principles: Leveraging Koopmans Spectral Functionals and Wannier Localization

Abstract We present an efficient first-principles approach for simulating the nonequilibrium electron dynamics in extended systems beyond the linear regime. The method combines Koopmans-compliant functionals, which provide accurate quasiparticle band structures, with the real-tim...

Blockchain and Biometrics: Survey, GDPR Analysis, and Future Directions

Biometric recognition, as an efficient and hard-to-forge method of identification and verification, has become an indispensable part of the current digital world. Meanwhile, blockchain has been widely received by both research and industry. Researchers have started to speculate o...

Signatures of Band-like Charge Carrier Transport in a Three-Dimensional Fe-HHTP Metal–Organic Framework

Abstract Metal–organic frameworks (MOFs) offer exceptional structural and chemical tunability, and the emergence of electrically conductive variants creates new opportunities for functional optoelectronic materials. Here, we investigate charge transport in a three-dimensional (3D...

On-Surface Synthesis of a Low Bandgap Cyclopenta[ c , d ]azulene-Based Polymer

Abstract Nonbenzenoid topologies offer a compelling strategy to tailor the electronic properties of low-dimensional carbon materials. Here, we report the on-surface synthesis of a nonalternant polymer incorporating a [7–5–5] cyclopenta[c,d]azulene (CPA) motif on Au(111) via therm...

A survey on mass conservation, self-similarity and related topics in nonlinear diffusion

We examine the validity of the principle of mass conservation for solutions of some typical equations in the theory of nonlinear diffusion, including equations in standard differential form and also their fractional counterparts. In Part I, consisting of the first nine sections,...

Ensemble-Based Descriptor Analysis of Flexible Odorants: Conformational Landscapes of Geraniol, Nerol, and Linalool

Abstract Conformational flexibility remains a central challenge in the molecular modeling of odorants because thermally accessible structures may differ from the potential-energy minima identified in conformational searches. Here, we combine automated conformational exploration,...

Curly Kakeya: The Hausdorff dimension of sets containing circles or line segments in many directions

In this paper, we establish a lower bound for the Hausdorff dimension of a set 𝐾 ⊂ ℝ 𝑛 that contains a dilated and translated copy of every meridian, that is, of every ( 𝑑 − 2 ) -dimensional sphere passing through the poles of 𝑆 𝑑 − 1 , a ( 𝑑 − 1 ) -dimensional sphere, with 3 ≤ 𝑑...

CO2-Product-Driven Integrated Carbon Capture and Utilization to Produce Cyclic Carbonates

Abstract There is an urgent need to develop energy-efficient solutions for CO2 capture and utilization, because current integrated processes remain limited by the compatibility of the capture and conversion stages. This work proposes a novel product-driven carbon capture and util...

Domain-Selective Enhancement of Second Harmonic Generation in Monolayer MoS2 via Ferroelectricity-Controlled Photodoping

Abstract Hybrid heterostructures combining two-dimensional semiconductors with ferroelectric materials offer a versatile route to actively control light–matter interactions at the nanoscale. Here, we report all-optical, light-induced domain-selective control of second-harmonic ge...

cyto7: an open, vertex-level cortical type atlas of the human cortex

The cerebral cortex is organized along a gradient of laminar complexity, indexed principally by the emergence and granularity of layer IV and by the size of layer III neuron somata, and cortical types are the ordered categories along it. The Structural Model builds on that gradie...

Cortical and metabolic brain development during pubertal hormone suppression

Suppression of pubertal hormonal signaling may alter trajectories of cortical development. However, the neurobiological effects of gonadotropin-releasing hormone agonists (GnRHa), including triptorelin, which are used in adolescents with gender dysphoria, remain largely unresolve...

A preoperative nomogram to predict axillary lymph node involvement in clinically node-negative HR+/HER2- breast cancer

Abstract Objective To develop a preoperative nomogram to predict axillary lymph node involvement in clinically node-negative hormone receptor-positive/HER2-negative (HR+/HER2-) breast cancer. Materials and methods We analyzed a retrospective cohort of consecutive patients with in...

Watching to learn: video engagement and item-level exam performance in a flipped classroom

To assess the association between each student’s engagement with the video-based lectures (VBLs) of a flipped classroom environment and their accuracy on the corresponding final-exam items. Retrospective analysis of two consecutive cohorts (2021/22, 2022/23) of an undergraduate N...

Inducing Radicality in Gold‐Coordinated Porphyrinoids Through Precise Tip‐Induced Covalent Bond Dissociation

ABSTRACT π‐Extended porphyrinoids are versatile platforms for the emerging field of π‐electron magnetism in conjugated systems. However, achieving controlled bond‐selective transformations that enable tuning of their electronic ground states remains a major challenge. Here, we pr...

RNA ‐related functions of BRCA2 in transcription, replication, and genome stability

BRCA2 is a central tumor suppressor protein best known for its roles in homologous recombination and replication fork stability. Increasing evidence, however, positions BRCA2 at the interface of transcription and replication, where it preserves genome stability under transcriptio...

Inducing Radicality in Gold‐Coordinated Porphyrinoids Through Precise Tip‐Induced Covalent Bond Dissociation

π-Extended porphyrinoids are versatile platforms for the emerging field of π-electron magnetism in conjugated systems. However, achieving controlled bond-selective transformations that enable tuning of their electronic ground states remains a major challenge. Here, we propose a p...

Device-Measured Physical Activity, Sedentary Time, and Cardiometabolic Risk Markers in Youth

Importance The evidence for benefits of higher physical activity and lower sedentary time on the cardiometabolic risk profile in youth is based on cross-sectional and small prospective studies. Objective To determine the prospective associations between device-measured physical a...

Liver X receptor (LXR) signaling in macrophage inflammation and cardiometabolic disease.

Cardiometabolic diseases profoundly remodel tissue immune landscapes, characterized by the accumulation of diverse macrophage subtypes. Among these, lipid-associated macrophages (LAMs) have emerged as an important subset that is frequently observed in cardiometabolically affected...

Blood-brain barrier opening with focused ultrasound reduces neuromelanin in a non-human primate model.

Age-related accumulation of neuromelanin (NM) has been implicated in the intrinsic vulnerability of catecholaminergic neurons in Parkinson's disease. Postmortem studies in Parkinson's disease patients have revealed elevated intracellular and extracellular NM in the substantia nig...

Unexpected 4 × 4 Charge Density Wave in 1 H -NbTe2 Monolayer

Abstract Transition metal ditellurides exhibit structural and electronic properties distinct from their selenide and sulfide counterparts, including the stabilization of multiple charge density wave (CDW) phases. Within the niobium compound family, notable differences in structur...