bluuebunny/crossref_metadata_2025 huggingface dataset:
Nanoscale water behavior and its impact on adsorption: A case study with CNTs and diclofenac
Authors: Côrtes Patrick R. B. , Loubet Nicolás A. , Moreira Luana S. , Menéndez Cintia A. , Appignanesi Gustavo A. , Köhler Mateus H. , Bordin José Rafael
Published: January 2025

Water is a fundamental component of life, playing a critical role in regulating metabolic processes and facilitating the dissolution and transport of essential molecules. However, emerging contaminants, such as pharmaceuticals, pose significant challenges to water quality and safety. Nanomaterial-based technologies emerge as a promising solution for removing those contaminants from water. Nevertheless, interfacial water plays a major role in the adsorption of chemical compounds in nanomaterials—as it plays in biological processes such as protein folding, enzyme activity, and drug delivery. To understand this role, in this study, we employ molecular dynamics simulations to explore the adsorption dynamics of potassium diclofenac on single-walled carbon nanotubes (SWCNTs) and double-walled carbon nanotubes (DWCNTs), considering both dry and wet conditions. Our findings reveal that the structuring of water molecules around CNTs creates hydration layers that significantly influence the accessibility of active sites and the interaction strength between contaminants and adsorbents. Our analysis indicates higher energy barriers for adsorption in DWCNTs compared to SWCNTs, which is attributed to stronger water–surface interactions. This research highlights the importance of understanding nanoscale water behavior for optimizing the design and functionality of nanomaterials for water purification. These findings can guide the development of more efficient and selective nanomaterials, enhancing contaminant removal and ensuring safer water resources while contributing to a deeper understanding of fundamental biological interactions.
Surfactant-laden drop behavior in pore space
Authors: Chen Zhe (Ashley) , Komrakova Alexandra , Tsai Peichun Amy
Published: January 2025

We numerically study the deformation and breakup of a surfactant-laden liquid drop immersed in another immiscible liquid flowing through a single pore with curvilinear boundaries using a conservative phase-field lattice Boltzmann method. Our results show that, compared to pure drops, surfactant-laden drops are prone to break, generating small satellite drops due to a non-uniform distribution of surfactant at the drop interface and a decrease in interfacial tension. As the surfactant concentration increases, it becomes increasingly challenging to maintain the stability of the drop, as higher surfactant concentrations result in a lower interfacial tension, thereby enhancing drop breakage. To provide a guideline on drop breakup conditions when it moves through a curved pore space, we present a map of the Weber number (We) vs the Reynolds number (Re), outlining the critical boundary beyond which drops break for surfactant-laden drops (at dimensionless bulk concentrations ψb=0.1 and 0.2) at Re ranging from 0.26 to 2.51. We theoretically explain this critical relationship for drop breakage by balancing the shear force and the surface tension force acting on the drop. We further investigate the combined effect of the viscosity ratio and channel confinement ratio (defined as the ratio between the channel depth and drop diameter) on drop breakup. We find that less viscous drops in a more confined channel are prone to breakage. The channel confinement ratio has a dominant effect on drop breakage since viscous drops with a high surfactant load do not break when the channel is not confined.
Uncovering dissipation from coarse observables: A case study of a random walk with unobserved internal states
Authors: Igoshin Oleg A. , Kolomeisky Anatoly B. , Makarov Dmitrii E.
Published: January 2025

Inferring underlying microscopic dynamics from low-dimensional experimental signals is a central problem in physics, chemistry, and biology. As a trade-off between molecular complexity and the low-dimensional nature of experimental data, mesoscopic descriptions such as the Markovian master equation are commonly used. The states in such descriptions usually include multiple microscopic states, and the ensuing coarse-grained dynamics are generally non-Markovian. It is frequently assumed that such dynamics can nevertheless be described as a Markov process because of the timescale separation between slow transitions from one observed coarse state to another and the fast interconversion within such states. Here, we use a simple model of a molecular motor with unobserved internal states to highlight that (1) dissipation estimated from the observed coarse dynamics may significantly underestimate microscopic dissipation even in the presence of timescale separation and even when mesoscopic states do not contain dissipative cycles and (2) timescale separation is not necessarily required for the Markov approximation to give the exact entropy production, provided that certain constraints on the microscopic rates are satisfied. When the Markov approximation is inadequate, we discuss whether including memory effects can improve the estimate. Surprisingly, when we do so in a “model-free” way by computing the Kullback–Leibler divergence between the observed probability distributions of forward trajectories and their time reverses, this leads to poorer estimates of entropy production. Finally, we argue that alternative approaches, such as hidden Markov models, may uncover the dissipative nature of the microscopic dynamics even when the observed coarse trajectories are completely time-reversible.
Spherical and sessile droplet dynamics by fluctuating hydrodynamics
Authors: Bell John B. , Nonaka Andrew , Garcia Alejandro L.
Published: January 2025

We simulate the mesoscopic dynamics of droplets formed by phase-separated fluids at nanometer scales where thermal fluctuations are significant. Both spherical droplets fully immersed in a second fluid and sessile droplets which are also in contact with a solid surface are studied. Our model combines a Cahn–Hilliard formulation with incompressible fluctuating hydrodynamics; for sessile droplets, the fluid–solid contact angle is specified as a boundary condition. Deterministic simulations with an applied body force are used to measure the droplets' mobility from which a diffusion coefficient is obtained using the Einstein relation. Stochastic simulations are independently used to obtain a diffusion coefficient from a linear fit of the variance of a droplet's position with time. In some scenarios, these two measurements give the same value but not in the case of a spherical droplet initialized near a slip wall or in the case of sessile droplets with large contact angles (≥90°) on both slip and no-slip surfaces.
A new single-phase flow algorithm for enabling water level regulation in surge shafts
Authors: Guo Junxun , Zhou Daqing , Wang Haobo
Published: January 2025

Surge shafts play a role in stabilizing pressure in long-distance water pipeline systems. However, to accurately simulate its regulatory function in three-dimensional numerical simulations, a multiphase flow model that demands substantial computational resources is necessary. Through secondary development of software, the implementation of a single-phase flow surge shaft model was achieved. By comparing the calculation results of the multiphase flow model, the accuracy and feasibility of the single-phase flow calculation method were verified. The results indicate that the single-phase simulation method could accurately capture the water level variation pattern. Deviations within an acceptable range only occur during water level drawdown. Furthermore, minor differences in velocity distribution between the two methods exist solely within the impedance hole channel, and the pressure field was in good agreement. The pressure pulsation deviation of all monitoring points was below 2.5%, and in the long pipeline, it was less than 0.5%. The correlation coefficients of key monitoring points, especially those inside the pipeline, were higher than 0.98, indicating a high correlation and confirming the high reliability of the simplified single-phase flow method for practical applications. This study demonstrates that the approach is a viable and accurate tool for simulating surge shaft behavior in pipeline systems.
A STING–CASM–GABARAP pathway activates LRRK2 at lysosomes
Authors: Bentley-DeSousa Amanda , Roczniak-Ferguson Agnes , Ferguson Shawn M.
Published: January 2025

Mutations that increase LRRK2 kinase activity have been linked to Parkinson’s disease and Crohn’s disease. LRRK2 is also activated by lysosome damage. However, the endogenous cellular mechanisms that control LRRK2 kinase activity are not well understood. In this study, we identify signaling through stimulator of interferon genes (STING) as an activator of LRRK2 via the conjugation of ATG8 to single membranes (CASM) pathway. We furthermore establish that multiple chemical stimuli that perturb lysosomal homeostasis also converge on CASM to activate LRRK2. Although CASM results in the lipidation of multiple ATG8 protein family members, we establish that LRRK2 lysosome recruitment and kinase activation are highly dependent on interactions with the GABARAP member of this family. Collectively, these results define a pathway that integrates multiple stimuli at lysosomes to control the kinase activity of LRRK2. Aberrant activation of LRRK2 via this pathway may be of relevance in both Parkinson’s and Crohn’s diseases.
Quasi-rectifiable Lie algebras for partial differential equations
Authors: Grundland A M , de Lucas J
Published: January 2025

We introduce families of quasi-rectifiable vector fields and study their geometric and algebraic aspects. Then, we analyse their applications to systems of partial differential equations. Our results explain, in a simple manner, the properties of families of vector fields describing hydrodynamic-type equations by means of k-waves. Facts concerning families of quasi-rectifiable vector fields, their relation to Hamiltonian systems, and practical procedures for studying such families are developed. We introduce and analyse quasi-rectifiable Lie algebras, which are motivated by geometric and practical reasons. We classify different types of quasi-rectifiable Lie algebras, e.g. indecomposable ones up to dimension five. New methods for solving systems of hydrodynamic-type equations are established to illustrate our results. In particular, we study hydrodynamic-type systems admitting Riemann k-wave solutions through quasi-rectifiable Lie algebras of vector fields. We develop techniques for obtaining the submanifolds related to quasi-rectifiable Lie algebras of vector fields and systems of partial differential equations admitting a nonlinear superposition rule: the PDE Lie systems.
Symmetry energy effect on hot nuclear matter and proto-neutron stars
Authors: Wu Xuhao , Chu Pengcheng , Ju Min , Liu He
Published: January 2025

We examine the effects of symmetry energy on proto-neutron stars (PNSs) by employing equation of state (EOS) described by the relativistic mean-field (RMF) model.The thermal properties of dense matter and the bulk properties of PNSs are investigated under the assumptions of isothermy, isentropy, and fixed lepton fractions.The polytropic index is calculated at finite temperature, revealing a negative correlation with the PNS maximum mass that the EOS can support.The properties of PNSs during the heating and cooling stages along their evolution line are explored under different combinations of lepton fraction and entropy.We investigate the correlation between the symmetry energy slope $L$ and the properties of PNSs. As $L$ increases, the PNS radius also increases; however, this effect diminishes with a growing lepton fraction for the isentropic case.These results indicate that the nuclear symmetry energy and its density dependence play crucial roles in determining the properties of PNSs and their evolution stages.
Exploring percolation phase transition in the three-dimensional Ising model with machine learning
Authors: Guo Ranran , Li Xiao-Bing , Wang Rui , Chen Shiyang , Wu Yuan-Fang , Li Zhiming 李治明
Published: January 2025

The percolation study offers valuable insights into the characteristics of phase transition, shedding light on the underlying mechanisms that govern the formation of global connectivity within the system. We explore the percolation phase transition in the 3D cubic Ising model by employing two machine learning techniques. Our results demonstrate the capability of machine learning methods in distinguishing different phases during the percolation transition. Through the finite-size scaling analysis on the output of the neural networks, the percolation temperature and a correlation length exponent in the geometrical percolation transition are extracted and compared to those in the thermal magnetization phase transition within the 3D Ising model. These findings provide a valuable way essential for enhancing our understanding of the property of the QCD critical point, which belongs to the same universality class as the 3D Ising model.Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. Article funded by SCOAP3 and published under licence by Chinese Physical Society and the Institute of High Energy Physics of the Chinese Academy of Science and the Institute of Modern Physics of the Chinese Academy of Sciences and IOP Publishing Ltd.
Single crystal (4-(tritylthio)butylthio) triphenylmethane forming organic nanoflowers
Authors: Sasidharan Sajitha , Ramakrishnan Vibin
Published: January 2025

We report the synthesis and crystallization of a newly synthesized triphenylmethyl derivative (4-(tritylthio)butylthio)triphenylmethane and its nano-level assembly, forming a rare organic nano-flower. We implemented a combination of S-XRD, Electron Microscopy, NMR and Raman spectroscopy to characterize the self-assembled structures. Fewer studies have been reported on the design and synthesis of triphenyl methyl (trityl) based nanostructures despite their wide range of possible applications in different fields. Its acid-labile nature is desirable for synthesizing and fabricating nano-level assemblies based on trityl systems. The present work demonstrates the formation of nanocrystalline materials formed using small organic molecules through aromatic π-π interactions, that can act as the principal directive governing molecular recognition and assembly. Also, it provides potential insights that can direct future design of new trityl-based materials.
The exponential function coefficient characteristic of the fault voltage forward traveling wave and protection method for microgrid
Authors: Zhao Jianwen , Du Yiwen , Luo Yaxin , Zhang Yubing
Published: January 2025

Existing microgrid protection methods suffer from false action or non-action due to the difficulty of wave head extraction. The time-domain expressions of voltage forward traveling wave for internal faults or external faults in microgrid are derived in this paper, and the exponential function coefficient characteristic of the fault voltage forward traveling wave is obtained: the maximum value of exponential function coefficient for the internal fault is greater than that of the external fault. Based on this, a novel microgrid protection method is proposed, which uses the exponential function coefficient characteristic of the fault voltage forward traveling wave. The exponential coefficients are accurately extracted using the Levenberg–Marquardt algorithm, and the fault identification of internal and external faults is determined based on the maximum value of the exponential function coefficients. The time window of the proposed method is 1 ms, which is only 10% of the time window of existing common protection methods using steady state, the speed of protection is enhanced. The simulation test results show that the proposed method is feasible and reliable in various operating states, fault locations, and fault types.
Direct Effect in EU Law
Authors: Gallo Daniele
Published: January 2025

The book revisits the past, present, and future of direct effect in European Union law. It offers a fully innovative understanding of this revolutionary doctrine from historical, theoretical, doctrinal, and practical perspectives. The volume explains that direct effect has evolved into a broader legal category than it was at the outset of the European legal integration process in the 1960s. Such evolution should be acknowledged, articulated, and systematized by the CJEU. Indeed, despite direct effect being the backbone of EU (institutional, constitutional, procedural, and substantive) law, this principle lacks a clear legal framing by the CJEU as to its core components and consequences. This form of self-restraint is as troublesome as judicial activism since courts should always endeavour to effectively understand and legally frame fundamental principles from which other principles, rules of reason, and legal taxonomies are derived. Moreover, argumentative minimalism runs the risk of undermining the spirit and purpose of the process of European integration, especially in a time like ours, when new forms of populism, sovereigntism, and anti-Europeanism are on the rise. In this connection, the aim of the book is to reconstruct direct effect, also beyond Van Gend & Loos and the doctrine originating from it, and ultimately submit solutions for its principled comprehension and enforcement.
Mexican Canto Nuevo
Authors: Palomares-Salas Claudio
Published: January 2025

The book explores the origin and development of Mexican Canto Nuevo, a musical and cultural movement that influenced Mexican music, politics, and culture from the 1960s to the late 1980s. It delves into several aspects of Canto Nuevo’s evolution, from its origins during the 1968 student movement to its peak and eventual decline in the late 1980s. Discussions range from Canto Nuevo’s nomenclature and temporality to the Marxist/humanist principles that defined the movement’s lyrical production and governed the lives of its participants to the folklorization processes that were at the core of Canto Nuevo’s origins and development and the politicized responses they elicited. The book thoroughly explores the work of some of the movement’s most prominent artists, among them Los Folkloristas, Judith Reyes, José de Molina, León Chávez Teixeiro, Óscar Chávez, Los Nakos, Margarita Bauche, Enrique Ballesté, Amparo Ochoa, La Peña Móvil, Gabino Palomares, and several others. It discusses Canto Nuevo’s relationship with other militant song movements, such as Chilean Nueva Canción and Cuban Nueva Trova, reasserting Mexican Canto Nuevo into current academic discussions on the pan–Latin American Nueva Canción movement of the 1960s–1980s. The last four chapters offer a chronological analysis of main events, peñas, artists’ organizations, record labels, festivals, and albums. They also clarify the complex relationship between the Mexican state and Canto Nuevo, explaining the climate of hostile tolerance in which it developed.
Mexican Canto Nuevo’s Calls and Responses
Authors: Palomares-Salas Claudio
Published: January 2025

Chapter 3 investigates the origins of Mexican Canto Nuevo and its ties to a soundscape that included rock ’n’ roll, folklorized music, and militant songs. It examines the 1950s–1960s folklorized/politicized response to rock ’n’ roll, led by progressive, middle-class artists such as Salvador Ojeda and the influential group Los Folkloristas. It then explores how Canto Nuevo emerged in the late 1960s and early 1970s, influenced by—and in constant dialogue with—the Argentinean Nuevo Cancionero, Chilean Nueva Canción, and Cuban Nueva Trova, as well as the Spanish Militant Song and US Protest Song movements.
The Rising (1969–1976)
Authors: Palomares-Salas Claudio
Published: January 2025

Chapter 5 explores the period 1969 to 1976, when the Canto Nuevo movement arose as a cultural force. After the Tlatelolco events, the PRI initiated a problematic policy of openness that created a context of hostile tolerance that Canto Nuevo had to learn to navigate. The chapter explores the emergence of the peñas, the significance of Salvador Allende’s Unidad Popular and Chilean Nueva Canción, the intense solidarity activity carried out by both Canto Nuevo and the Mexican state after Augusto Pinochet’s 1973 military coup, and the emergence of Discos Pueblo as the most emblematic record label of the movement along with Nueva Cultura Latinoamericana. The chapter focuses on artists’ organizations like CLETA, CEFOL, and FLEC and discusses Amparo Ochoa’s El cancionero popular (1974). Finally, it explores the work of Los Masiosares, Peña Móvil, On’ta, and La Nopalera.
Measuring Gender-Responsiveness of Trade Agreements
Authors: Bahri Amrita
Published: January 2025

The previous two chapters have offered discussions on how trade agreements can uphold women empowerment and the hesitations policymakers can have in that respect. Given this understanding, let us assume that a trade negotiator is now convinced that a trade agreement their country is currently negotiating should be responsive to women’s concerns. What provisions might make this agreement responsive and how can this negotiator measure its responsiveness? Is there an established framework available that can guide negotiators in enhancing the responsiveness of agreements to women’s concerns, whether during initial negotiations or renegotiations of an existing agreement? This chapter introduces the International Trade Centre’s Maturity Framework that the author of this book has prepared to help trade negotiators measure the responsiveness of their trade agreements to women’s concerns. This new methodology, using this diagnostic approach, can also allow countries to develop a roadmap to achieve the desired level of responsiveness for their free trade agreements (FTAs) in accordance with their needs, willingness, and resources. The chapter delineates the components of the new framework, discusses its benefits and limitations, and elucidates its operational mechanisms. It concludes with practical recommendations for negotiators on the application of the framework.
Lipid-mediated resolution of inflammation and survival in amyotrophic lateral sclerosis
Authors: Yildiz Ozlem , Hunt Guy P , Schroth Johannes , Dhillon Gurleen , Spargo Thomas P , Al-Chalabi Ammar , Koks Sulev , Turner Martin R , Shaw Pamela J , Henson Sian M , Iacoangeli Alfredo , Malaspina Andrea
Published: January 2025

Neuroinflammation impacts on the progression of amyotrophic lateral sclerosis (ALS), a fatal neurodegenerative disorder. Specialized pro-resolving mediators trigger the resolution of inflammation. We investigate the specialized pro-resolving mediator blood profile and their receptors’ expression in peripheral blood mononuclear cells in relation to survival in ALS. People living with ALS (pwALS) were stratified based on bulbar versus limb onset and on key progression metrics using a latent class model, to separate faster progressing from slower progressing ALS. Specialized pro-resolving mediator blood concentrations were measured at baseline and in one additional visit in 20 pwALS and 10 non-neurological controls (Cohort 1). Flow cytometry was used to study the GPR32 and GPR18 resolvin receptors’ expression in peripheral blood mononuclear cells from 40 pwALS and 20 non-neurological controls (Cohort 2) at baseline and in two additional visits in 17 pwALS. Survival analysis was performed using Cox proportional hazards models, including known clinical predictors and GPR32 and GPR18 mononuclear cell expression. Differential expression and linear discriminant analyses showed that plasma resolvins were able to distinguish phenotypic variants of ALS from non-neurological controls. RvE3 was elevated in blood from pwALS, whilst RvD1, RvE3, RvT4 and RvD1n-3 DPA were upregulated in A-S and RvD2 in A-F. Compared to non-neurological controls, GPR32 was upregulated in monocytes expressing the active inflammation-suppressing CD11b+ integrin from fast-progressing pwALS, including those with bulbar onset disease (P < 0.0024), whilst GPR32 and GPR18 were downregulated in most B and T cell subtypes. Only GPR18 was upregulated in naïve double positive Tregs, memory cytotoxic Tregs, senescent late memory B cells and late senescent CD8+ T cells from pwALS compared to non-neurological controls (P < 0.0431). Higher GPR32 and GPR18 median expression in blood mononuclear cells was associated with longer survival, with GPR32 expression in classical monocytes (hazard ratio: 0.11, P = 0.003) and unswitched memory B cells (hazard ratio: 0.44, P = 0.008) showing the most significant association, along with known clinical predictors. Low levels of resolvins and downregulation of their membrane receptors in blood mononuclear cells are linked to a faster progression of ALS. Higher mononuclear cell expression of resolvin receptors is a predictor of longer survival. These findings suggest a lipid-mediated neuroprotective response that could be harnessed to develop novel therapeutic strategies and biomarkers for ALS.
The ins and outs of spinal cord stimulation
Authors: Carmel Jason B
Published: January 2025

This scientific commentary refers to ‘Intraspinal microstimulation of the ventral horn has therapeutically relevant cross-modal effects on nociception’, by Bandres et al. (https://doi.org/10.1093/braincomms/fcae280).
Know your brain aging to know your resilience in neurodegenerative diseases
Authors: Ng Bryan , Zetterberg Henrik
Published: January 2025

This scientific commentary refers to ‘Brain aging rejuvenation factors in adults with genetic and sporadic neurodegenerative disease’, by Casaletto et al. (https://doi.org/10.1093/braincomms/fcae432).
Differential gene set enrichment of the epithelial–mesenchymal transition pathway in BRAF- vs. NRAS-mutated metastatic melanoma
Authors: Raimundi-Santos Victor J , Porter Tyrel R
Published: January 2025

Melanoma is a leading cause of cancer-related deaths and is frequently driven by mutations in the BRAF and NRAS genes. These mutations disrupt key cellular signalling pathways that promote tumour growth and metastasis, but they have distinct biological and clinical implications, particularly in their response to treatment and impact on patient prognosis. The epithelial–mesenchymal transition (EMT) is a process in which epithelial cells undergo changes in response to specific transcription factors. There are currently few studies investigating the EMT within BRAF and NRAS mutations. The aim of this study was to further elucidate activation of the EMT pathway in metastatic melanoma, focusing on BRAF- and NRAS-mutated samples from The Cancer Genome Atlas. Gene Set Enrichment Analysis revealed that BRAF mutations were more significantly associated with increased EMT activation relative to all other mutations in the dataset. In contrast, NRAS mutations were not significantly associated with gene expression of the EMT pathway, suggesting alternative mechanisms for metastasis.
Alterations in cardiac function correlate with a disruption in fatty acid metabolism in a mouse model of SMA
Authors: Nair Nithya N , Kline Rachel A , Boyd Imogen , Anikumar Meenakshi , Thomson Adrian , Lamont Douglas J , Gray Gillian A , Wishart Thomas M , Murray Lyndsay M
Published: January 2025

Spinal Muscular Atrophy is an autosomal dominant disease caused by mutations and deletions within the SMN1 gene, with predominantly childhood onset. Although primarily a motor neuron disease, defects in non-neuronal tissues are described in both patients and mouse models. Here, we have undertaken a detailed study of the heart in the Smn2B/− mouse models of SMA, and reveal a thinning of the ventriclar walls as previously described in more severe mouse models of SMA. However most structural changes are resolved by accounting for the smaller body size of the SMA mouse, as was also confirmed in the SMN∆7 model. Echocardiography revealed increased systolic function, which was particularly pronounced in subsets of mice and an increase in global longitudinal strain, collectively indicative of increased cardiac stress in the Smn2B/− mouse model. We have used TMT proteomics to perform a longitudinal study of the proteome of the hearts of Smn2B/− mice and reveal a progressive dysregulation of LXR/RXR signalling which is a regulator of lipid metabolism. We further show consistent perturbations in lipid metabolism in the Smn2B/−, Smn−/−;SMN2;SmnΔ7and SmnΔ7/Δ7;SMN2 mouse models of SMA on the day of birth. This work indicates that although structural changes in the heart can be overstated by failing to account for body size, there are functional defects which could predispose the heart to subsequent failure. We identify a common molecular signature across mouse models pointing to a dysregulation in lipid metabolism, and suggest that manipulation of LXR/RXR signalling offers an opportunity to impact upon these pathways.
Neurofilament light chain level is associated with lifetime suicidal behaviors
Authors: Cheng Ying-Chih , Liu Yu-Li , Chen Wen-Yin , Chiu Chih-chiang , Huang Ming-Chyi , Kuo Po-Hsiu
Published: January 2025

Background

Suicide is among the severe outcomes of mental illness and has been reported to be associated with neurodegeneration and cognitive impairment. The blood neurofilament light chain (NfL) level is a biomarker of neuronal damage in neuropsychiatric disorders. This study investigated whether the NfL levels are associated with lifetime suicidal behaviors and whether this level is higher in patients with major depressive disorder (MDD) compared with healthy controls.

Methods

In this cross-sectional study, we included 73 patients with MDD and 40 age- and sex-matched controls. The blood NfL levels were measured using an enzyme-linked immunosorbent assay. We compared the NfL levels between patients with MDD and controls and performed regression analysis to evaluate the association between the NfL levels and suicidal behaviors.

Results

Nearly half of the patients with MDD (43.80%) reported lifetime suicide attempts. Those with MDD had higher blood NfL levels, but their levels did not significantly differ from those of the healthy controls. Logistic regression results revealed higher risks of lifetime suicide planning (Odds ratio [OR] = 1.64) and suicide attempts (OR = 1.94) with every 10 pg/mL increase in the NfL levels.

Conclusions

Our results demonstrate that higher serum NfL levels were associated with lifetime suicidal behavior.
Real-world comparative outcomes and toxicities after definitive radiotherapy using proton beam therapy versus intensity-modulated radiation therapy for prostate cancer: a retrospective, single-institutional analysis
Authors: Ishikawa Yojiro , Suzuki Motohisa , Yamaguchi Hisashi , Seto Ichiro , Machida Masanori , Takagawa Yoshiaki , Azami Yusuke , Dai Yuntao , Sulaiman Nor Shazrina , Teramura Satoshi , Narita Yuki , Kato Takahiro , Kikuchi Yasuyuki , Fukaya Yasuo , Murakami Masao
Published: January 2025

This retrospective study aimed to compare the clinical outcomes of intensity-modulated radiation therapy (IMRT) and proton beam therapy (PBT). A total of 606 patients diagnosed with prostate cancer between January 2008 and December 2018 were included. Of these patients, 510 received PBT up to a dose of 70–78 Gy (relative biological effectiveness) and 96 patients received IMRT up to a dose of 70–78 Gy. The median follow-up period was 82 months (range: 32–140 months). Patients in the PBT group had significantly higher 7-year rates of biochemical relapse-free survival (bRFS) and disease-free survival (DFS) rates: 95.1% for PBT vs 89.9% for IMRT (P = 0.0271) and 93.1% for PBT vs 85.0% for IMRT (P = 0.0019). After matching analysis, 94 patients were assigned to both groups, and the PBT group showed significantly higher 7-year bRFS and DFS rates: 98.9% for PBT vs 89.7% for IMRT (P = 0.023) and 93.4% for PBT vs 84.6% for IMRT (P = 0.022), respectively. In the subgroup analysis of intermediate-risk patients, the PBT group showed a significantly higher 7-year bRFS rate (98.3% for PBT vs 90.5% for IMRT; P = 0.007). The V60 of the bladder in the PBT group (18.1% ± 10.1%) was higher than that in the IMRT group (14.4% ± 7.6%) (P = 0.024). This study found that the treatment outcomes of PBT potentially surpassed those of IMRT specifically concerning bRFS and DFS in real-world settings. However, it should be noted that attention is warranted for late bladder complication of PBT.
Acute thoracic disc herniation with severe spinal cord compression: a case report
Authors: Cahueque Mario , Cobar Andres , Montenegro Santiago
Published: January 2025

This case report highlights the rare presentation of an acute thoracic disc herniation in a 27-year-old male. Thoracic disc herniations are uncommon, accounting for less than 1% of all disc herniations, and acute presentations have scantly been recorded in literature. The patient, a mechanic, presented with a sudden onset of dorsal pain and bilateral lower limb weakness after lifting heavy equipment, leading to a sudden cease of most motor functions in the patient’s lower limbs. Magnetic resonance imaging revealed a severe T9/T10 herniation with significant spinal cord compression. Emergency surgical decompression via a right-sided transpedicular thoracic approach was performed, resulting in progressive neurological recovery. This case underscores the importance of early diagnosis, timely surgical intervention, and multidisciplinary management in achieving favorable outcomes for this rare condition.
Longitudinal Improvement of Quality of Life in Children With Legg-Calve-Perthes Disease Treated With Proximal Femoral Varus Osteotomy
Authors: Valencia Angel A. , Do Dang-Huy , Jo Chan-Hee , Kim Harry K.W.
Published: January 2025

Background:

Proximal femoral varus osteotomy (PFVO) is commonly performed to improve femoral head containment and decrease deformity in Legg-Calve-Perthes disease (LCPD). Little is known about how PFVO impacts the quality of life after surgery. The purpose of this study was to determine the longitudinal changes to patient-reported physical, mental, and social health measures after PFVO.

Methods:

This is a retrospective review of prospectively collected Patient-Reported Outcomes Measurement Information System (PROMIS) data from 20 patients with unilateral LCPD treated with a PFVO. We collected seven PROMIS measures (mobility, anxiety, fatigue, depressive symptoms, pain interference, anger, and peer relationships) before and approximately 1, 3, 8, 12, and 18 months after surgery. We compared PROMIS scores across different time points using repeated measures ANOVA and multiple pairwise comparisons with Tukey adjustment. The relationship between presurgery and postsurgery mental health scores was analyzed using a Spearman correlation.

Results:

The mean age at PFVO was 8.2 ± 1.6 years. The mean length of follow-up was 17.0 ± 2.1 months. There was a significant improvement in the mobility score between preoperation and 12 months (P=0.0031) and 18 months postoperation (P<0.0001). Anxiety scores significantly improved from preoperation and 18 months postoperation (P=0.0014). A significant reduction in the pain interference score between preoperation and 12 and 18 months postoperation (P<0.0001) was observed. Peer relationships significantly improved from one month postoperatively to 18 months postoperation (P=0.0355). Individual variations were also observed with some patients having elevated depressive symptoms and anxiety scores. Moderate correlations between preoperative and postoperative anxiety and depressive symptoms scores were observed.

Conclusions:

PROMIS mobility, anxiety, pain interference, and peer relationship scores improved significantly after PFVO. While the mean anxiety, depressive symptoms, peer relationships, and anger scores were in normal ranges at each visit, individual variations with elevated anxiety and depressive symptom scores were observed. This new longitudinal PROMIS data will better inform patients and families about the quality of life and recovery experience after PFVO.

Level of Evidence:

Level IV—therapeutic study
TP53 Alterations Are an Independent Adverse Prognostic Indicator in Pseudomyxoma Peritonei of Appendiceal Origin Following Cytoreductive Surgery and Intraperitoneal Chemotherapy
Authors: Shaker Nuha , Davison Jon , Derby Joshua , Abukhiran Ibrahim , Mansour Akila , Holtzman Matthew , Choudry Haroon , Pai Reetesh K.
Published: January 2025

Histologic grade is a key predictor for pseudomyxoma peritonei (PMP) of appendiceal origin that is used to guide clinical management. However, some tumors demonstrate disease behavior that deviates from their histologic grade. A recent study suggested that TP53, GNAS, and RAS mutation analysis could stratify tumors into distinct molecular groups with different prognosis. We investigated molecular alterations in 114 patients with PMP of appendiceal origin who were uniformly treated with cytoreductive surgery with intraperitoneal chemotherapy (CRS+IPCT). Tumors were separated into 4 groups based on their predominant genomic alteration: RAS-mut, GNAS-mut, TP53-mut, and triple-negative (RAS/GNAS/TP53-wildtype). The results were correlated with World Health Organization (WHO) grade, peritoneal carcinomatosis index (PCI), completeness of cytoreduction (CC) score, and overall survival (OS) from the time of CRS+IPCT using multivariate Cox proportional hazard analysis. Fifty percent of TP53-mut were WHO grade 3 compared with 38% triple-negative, 10% RAS-mut, and 7% GNAS-mut tumors (P<0.001). The TP53-mut group exhibited a significantly reduced OS compared with other groups (P<0.001). No significant OS difference was identified between RAS-mut, GNAS-mut, and triple-negative groups (P>0.05). In grade 3 PMP, TP53-mut was significantly associated with reduced OS (P=0.002). In the multivariate analysis for OS after CRS+IPCT, TP53-mut [hazard ratio (HR) 3.23, P=0.004] and WHO grade (grade 2 HR 2.73, P=0.03 and grade 3 HR 5.67, P<0.001) were the only independent predictors of survival. Our results suggest that, in addition to tumor grade, TP53 status may help to provide a more patient-centered approach in guiding therapy in PMP.
Cellular automata modelling of leukaemic stem cell dynamics in acute myeloid leukaemia: insights into predictive outcomes and targeted therapies
Authors: Saikawa Yutaka , Komatsuzaki Toshihiko , Nishiyama Nobuaki , Hatta Toshihisa
Published: January 2025

Acute myeloid leukaemia (AML) is a haematologic malignancy with high relapse rates in both adults and children. Leukaemic stem cells (LSCs) are central to leukaemopoiesis, treatment response and relapse and frequently associated with measurable residual disease (MRD). However, the dynamics of LSCs within the AML microenvironment is not fully understood. This study utilized three-dimensional cellular automata (CA) modelling to simulate LSC behaviour and treatment response under induction chemotherapy. Our study revealed: (i) a correlation between LSC persistence post-induction chemotherapy and risk of AML relapse; (ii) MRD negativity based on LSC count may not reliably predict outcomes, supporting clinical evidence that patients with MRD-negative status can still be at risk of relapse; (iii) prolonged persistence of LSCs post-chemotherapy without disruption of normal haematopoiesis, aligning with clinical observations of dormant AML clones; (iv) early LSC dynamics post-induction chemotherapy, characterized by stochastic behaviours and movement velocities, are insufficient predictors of long-term prognosis; and (v) a distinct spatiotemporal organization of LSCs in later phases post-induction chemotherapy is correlated with long-term outcomes. Our modelling results provide a theoretical and clinical framework for AML research, and future clinical data validation could refine the utility of CA modelling for oncological studies.
Biomechanics of plant stems with square and circular cross-sections: what is the advantage of quadratic stems over cylindrical ones?
Authors: Bányai Ádám , Horváth Gábor
Published: January 2025

Although plant stem cross-sections are most often circular, some are square, triangular or elliptic, but these are rare. The advantage of quadratic stems over cylindrical ones, if one exists, is unclear. Here we propose a (bio) mechanical advantage of square-stemmed plants. Our idea is based on the fact that the second moment of inertia
I
of a stem, depending on the shape of the cross-section, determines the plant’s resistance to bending and torsion deformations induced by wind load and gravitation: a larger
I
results in greater mechanical resistance. When can a quadratic stem have a larger
I
than a cylindrical stem of comparable material? We calculated the rotation-invariant
I
of quadratic and cylindrical hollow stems with the same cross-section area as functions of the quotient
k
of the inner and outer dimensions, and the quotient
Q
of the outer dimensions of square and circlular stems. We determined those configurations of the geometric control parameters
k
and
Q
for which the
I
of a quadratic stem is larger than that of a cylindrical one; that is, the former stem is more resistant to mechanical deformations than the latter. This finding provides a clear mechanical benefit of square-stemmed over circle-stemmed plants.
Fast and accurate modeling of TCR-peptide-MHC complexes using tFold-TCR
Authors: Wu Fandi , Zhao Yu , Xiao Yang , Qin Chenchen , Wang Fang , Wu Zihan , Huang Long-Kai , Liu Xiao , Song Jiangning , He Bing , Rossjohn Jamie , Yao Jianhua
Published: January 2025

Alpha-beta T cell receptor (αβTCR) recognition of peptide-major histocompatibility complexes (pMHCs) is a corner- stone of the adaptive immune system. Fast and accurate modeling of TCR-pMHC structures is crucial for understanding TCR recognition of pMHCs at the molecular level, which is essential for the development of TCR-based therapeutics and vaccines. Despite significant interest, this challenge remains unresolved due to the diversity of TCR-pMHC interactions and limited structural data. Here, we present tFold-TCR, a high-throughput, end-to-end universal model for predicting three-dimensional (3D) atomic-level structures of TCR-pMHC complexes, capable of predicting TCRs of different classes and MHC structures from diverse systems. tFold-TCR leverages a specially trained, protein-protein interaction-sensitive large protein language model to extract intra- and inter-chain residue contact information and evolutionary relationships, bypassing the need for multiple sequence alignment (MSA) searches. It also features innovative structure prediction and flexible docking modules to enhance accuracy, particularly for interacting contacts. Compared to existing methods, including AlphaFold-3, tFold-TCR demonstrates a 30.7% increase in prediction success rate evaluated by DockQ and is over 25 times faster. These advancements enable large-scale structural characterization of TCRs and their interactions with pMHCs. Utilizing this capability, we constructed TCRStructDB, the largest database of TCR-pMHC structures to date, encompassing 2.2 million TCRs, 0.8 million pMHCs, and 45,000 TCR-pMHC complexes. TCRStructDB provides unprecedented insights into one of the most diverse receptor-ligand interactions in biology.
The Impact of the Selective Cytopheretic Device on Neutrophil-to-Lymphocyte Ratios and Hematological Parameters in AKI: A Pooled Analysis
Authors: Iyer Sai Prasad N , Ollberding Nicholas J , Koyner Jay L , Yessayan Lenar T. , Chung Kevin K. , Humes David
Published: January 2025

Background: The Selective Cytopheretic Device (SCD) is an immunomodulatory cell-directed extracorporeal therapy that reprograms activated neutrophils and monocytes towards immune homeostasis in hyperinflammatory conditions such as acute kidney injury (AKI). However clinical mechanisms remain unclear. Methods: We examined the effect of SCD treatment from prior AKI clinical studies on systemic inflammation through neutrophil-to-lymphocyte ratios (NLR) and other hematological measures to gain insights into the mechanism of the SCD. Linear-mixed effects regression was used to estimate differences in NLR and other hematological measures between SCD treated patients and controls over the first six days after initiating CKRT. Results: Hematological data were analyzed from 98 patients with AKI requiring continuous kidney replacement therapy (CKRT) treated with the SCD, and 32 CKRT only control patients. SCD reduced NLR across all individual studies through Day 6 of treatment, while the control group demonstrated upward trends in NLR past day 3. When analyzed as pooled groups, both cohorts displayed similar baseline NLRs (SCD = 23.6 vs. control = 21.7; p=0.636). SCD treated adult patients demonstrated a statistically significant reduction in NLR vs. control adult patients at Day 6 (SCD = 13.3 vs. control = 25.7 at day 6; ptrend = 0.011). This difference was maintained following sensitivity analysis upon exclusion of an adult ICU study due to a shorter follow-up period (SCD = 13.7 vs. control = 25.6; ptrend = 0.013). NLR reductions in the SCD group were driven by decreases in neutrophils and increases in lymphocytes. No statistically significant differences were observed between groups for monocyte-to-lymphocyte ratio (MLR) levels or platelets over the same treatment duration. Conclusions: In a pooled analysis of multiple AKI clinical studies SCD treatment demonstrated reductions in NLR. This analysis provides further clinical mechanistic evidence of leukocyte immunomodulation in targeting the dysregulation of effector immune cells in hyperinflammatory conditions such as AKI and sepsis.
Borromean supercounterfluids at finite temperatures
Authors: Golic Alexandru , Timoshuk Igor , Babaev Egor , Svistunov Boris
Published: January 2025

While the properties of standard (single-component) superfluids are well understood, principal differences arise in a special type of multicomponent systems—the so-called Borromean supercounterfluids—in which (i) supertransport is possible only in the counterflow regime and (ii) there are three or more counterflowing components. Borromean supercounterfluids's correlation and topological properties distinguish them from their single- and two-component counterparts. The component-symmetric case characterized by a distinctively different universality class of the supercounterfluid-to-normal phase transition is especially interesting. Using the recently introduced concept of compact-gauge invariance as the guiding principle, we develop the finite-temperature description of Borromean supercounterfluids in terms of an asymptotically exact long-wave effective action. We formulate and study Borromean XY and loop statistical models, capturing the universal long-range properties and allowing us to perform efficient worm algorithm simulations. Numeric results demonstrate perfect agreement with analytic predictions. Particularly instructive is the two-dimensional case, where the Borromean nature of the system is strongly manifested while allowing for an asymptotically exact analytic description.

Published by the American Physical Society
2025
Observation of quantum temporal correlations well beyond Lüders bound
Authors: Wu Chun-Wang , Zhang Man-Chao , Zhou Yan-Li , Chen Ting , Huang Ran , Xie Yi , Su Wen-bo , Ou Bao-Quan , Wu Wei , Miranowicz Adam , Nori Franco , Zhang Jie , Jing Hui , Chen Ping-Xing
Published: January 2025

The ability of achieving strong quantum spatial correlations has helped the emergence of quantum information science. In contrast, how to achieve strong quantum temporal correlations (QTCs) has remained as a long-standing challenge, thus hindering their applications in time-domain quantum control. Here we experimentally demonstrate that by using a parity-time (PT)–symmetric single ion, the conventional QTC limit known as the Lüders bound can be well surpassed within a standard measurement scenario, approaching the predicted maximum QTC value. Our work, as a step toward quantum engineering of PT devices in the time domain, can stimulate more efforts on operating various quantum devices with the aid of strong QTC resources.

Published by the American Physical Society
2025