bluuebunny/crossref_metadata_2025_split huggingface dataset:
The impact of incorrect dissociation energies on inferred photospheric abundances
Authors: Aquilina Sarah E , Casey Andrew R , Wheeler Adam J 
Published: June 2024

ABSTRACT
Spectral synthesis codes are essential for inferring stellar parameters and detailed chemical abundances. These codes require many physical inputs to predict an emergent spectrum. Developers adopt the best measurements of those inputs at the time they release their code, but those measurements usually improve over time faster than the software is updated. In general, the impact of using incorrect or uncertain dissociation energies is largely unknown. Here, we evaluate how incorrect dissociation energies impact abundances measured from C2, CN, CH, TiO, and MgO features. For each molecule, we synthesized optical spectra of FGKM-type main-sequence and giant stars using the literature dissociation energy and an incorrect (perturbed) dissociation energy. We find that the uncertainties in the dissociation energies adopted by spectral synthesis codes for CN, CH, TiO, and MgO lead to negligible differences in flux or abundance. C2 is the only diatomic molecule where the uncertainty of the inputted dissociation energy translates to a significant difference in flux and carbon abundance differences of up to 0.2 dex. For solar-like stars, the impact on carbon abundance is up to 0.09 dex. These large abundance differences demonstrate the importance of updating the inputs adopted by spectral synthesis codes, as well as a consensus on appropriate values between different codes.
The kinematics of Polycyclic Aromatic Hydrocarbons (PAHs) in Galaxies revealed by Principal Component Analysis (PCA) tomography with JWST/NIRSpec
Authors: Donnan Fergus R , Rigopoulou Dimitra , García-Bernete Ismael 
Published: June 2024

ABSTRACT
Polycyclic Aromatic Hydrocarbons (PAHs) are organic molecules which comprise the smallest particles of dust in the interstellar medium (ISM). Due to their broad/complex emission profiles, obtaining kinematics is a challenge with traditional methods, especially before the advent of the JWST. In this work, we employ Principal Component Analysis (PCA) tomography to analyse JWST/NIRSpec IFU data of three nearby luminous infrared galaxies (LIRGs), namely, NGC 3256 N, NGC 3256 S, and NGC 7469. We detect the signature of rotation in the second principal component of the 3.3 $\mu$m PAH feature in all three targets. We construct velocity maps from the principal components for the 3.3 $\mu$m PAH feature, Br β (2.625 $\mu$m) and molecular hydrogen, H2 1–0 S(1) (2.12 $\mu$m). We find that in each target, the PAHs qualitatively follow the rotation of the galaxy, consistent with the rotational signature derived from Br β and H2. There are however some differences, with the PAH rotation in NGC 3256 N appearing at a different position angle, which suggest differences in the motion of the dust as compared to the gas. This kind of analysis opens a new window into this key component of the ISM.
ChemFREE: a one-stop comprehensive platform for ecological and environmental risk evaluation of chemicals in one health world
Authors: Chen Dongyu , Liu Yingwei , Liu Yang , Zhao Kejun , Zhang Tianhan , Gao Yangyang , Wang Qi , Song Baoan , Hao Gefei 
Published: June 2024

Abstract
Addressing health and safety crises stemming from various environmental and ecological issues is a core focus of One Health (OH), which aims to balance and optimize the health of humans, animals, and the environment. While many chemicals contribute significantly to our quality of life when properly used, others pose environmental and ecological health risks. Recently, assessing the ecological and environmental risks associated with chemicals has gained increasing significance in the OH world. In silico models may address time-consuming and costly challenges, and fill gaps in situations where no experimental data is available. However, despite their significant contributions, these assessment models are not web-integrated, leading to user inconvenience. In this study, we developed a one-stop comprehensive web platform for freely evaluating the eco-environmental risk of chemicals, named ChemFREE (Chemical Formula Risk Evaluation of Eco-environment, available in http://chemfree.agroda.cn/chemfree/). Inputting SMILES string of chemicals, users will obtain the assessment outputs of ecological and environmental risk, etc. A performance evaluation of 2935 external chemicals revealed that most classification models achieved an accuracy rate above 0.816. Additionally, the $Q_{F1}^2$ metric for regression models ranges from 0.618 to 0.898. Therefore, it will facilitate the eco-environmental risk evaluation of chemicals in the OH world.
Structure of the E. coli nucleoid-associated protein YejK reveals a novel DNA binding clamp
Authors: Schumacher Maria A , Singh Rajiv R , Salinas Raul 
Published: June 2024

Abstract
Nucleoid-associated proteins (NAPs) play central roles in bacterial chromosome organization and DNA processes. The Escherichia coli YejK protein is a highly abundant, yet poorly understood NAP. YejK proteins are conserved among Gram-negative bacteria but show no homology to any previously characterized DNA-binding protein. Hence, how YejK binds DNA is unknown. To gain insight into YejK structure and its DNA binding mechanism we performed biochemical and structural analyses on the E. coli YejK protein. Biochemical assays demonstrate that, unlike many NAPs, YejK does not show a preference for AT-rich DNA and binds non-sequence specifically. A crystal structure revealed YejK adopts a novel fold comprised of two domains. Strikingly, each of the domains harbors an extended arm that mediates dimerization, creating an asymmetric clamp with a 30 Å diameter pore. The lining of the pore is electropositive and mutagenesis combined with fluorescence polarization assays support DNA binding within the pore. Finally, our biochemical analyses on truncated YejK proteins suggest a mechanism for YejK clamp loading. Thus, these data reveal YejK contains a newly described DNA-binding motif that functions as a novel clamp.
Longitudinal assessment of quality of life, neurocognition, and psychopathology in patients with low-grade glioma on first-line temozolomide: A feasibility study
Authors: Darlix Amélie , Monnier Maëva , Castan Florence , Coutant Louise , Fabbro Michel , Denis-Chammas Ève , Carrière Mathilde , Menjot-de-Champfleur Nicolas , Rigau Valérie , Duffau Hugues , Guerdoux Estelle 
Published: June 2024

Abstract

Background
The treatment timing and choice after neurosurgical resection in patients with newly diagnosed diffuse low-grade glioma (DLGG) remain controversial. Indeed, the effect of such treatments must be balanced with the possible side effects. This study evaluated the feasibility of longitudinal exhaustive quality of life (QoL) and neuropsychological assessments in patients with DLGG receiving first-line temozolomide.

Methods
QoL, neurocognition, and psychological disorders were assessed prospectively until disease progression, using testing, clinician-reported, and self-reported questionnaires. The primary endpoint was the participation and adherence to this complete assessment at Baseline (before temozolomide initiation), months 6 and 12 of treatment, and month 6 post-treatment. The QoL and neuropsychological changes over time also were described.

Results
Twenty-six of the twenty-nine eligible patients were enrolled (participation rate: 89.7%, 95% CI: 72.6–97.8). The adherence rate was 95.7% (95% CI: 78.1–99.9; n = 23 because 3 patients progressed in the first 12 months of treatment). Up to month 6 post-treatment, QoL and fatigue remained stable (EORTC QLQC30 and BN20, MFI-20); some specific symptoms were transitory. Both subjective (FACT-Cog) and objective (Z-scores of neurocognitive tests) neurocognitive outcomes remained stable or tended to improve. The percentage of patients with severe depression (BDI-II), anxiety (STAI-Y), or anger (STAXI-II) was stable over time.

Conclusions
This prospective study demonstrated the feasibility of an exhaustive and longitudinal evaluation of QoL, neurocognition, and psychological disorders, with high acceptability by patients with DLGG undergoing chemotherapy. First-line temozolomide seems to have limited short-term effects on QoL and neurocognition. These findings must be confirmed in the long term and in a larger cohort.
Impact of intensity-modulated proton therapy in reducing radiation-induced lymphopenia in glioma patients
Authors: Das Anindita , Sylvia Jacinthlyn , Krishnan Ganapathy , Panda Pankaj Kumar , Subramanyam Preethi , Kumar Roopesh , Adhithyan Rajendran , Patil Sushama , Sharma Dayananda , Jalali Rakesh 
Published: June 2024

Abstract

Background
Current standard management in adult grades 2–4 gliomas includes maximal safe resection followed by adjuvant radiotherapy (RT) and chemotherapy. Radiation-induced lymphopenia (RIL) has been shown to possibly affect treatment outcomes adversely. Proton beam therapy (PBT) may reduce the volume of the normal brain receiving moderate radiation doses, and consequently RIL. Our aim was to evaluate the incidence and severity of RIL during proton beam therapy (PBT).

Methods
We identified patients with grades 2–4 glioma treated with PBT at our center between January 2019 and December 2021. We evaluated the incidence and severity of RIL from weekly complete blood count (CBC) data collected during PBT and compared it to the patients who were treated with photon-based RT (XRT) at our center during the same time.

Results
The incidence of any degree of lymphopenia (48% in PBT, vs. 81.2% in XRT, P value = .001) and severe lymphopenia (8% in PBT, vs. 24.6% in XRT, P value = .093) were both significantly lesser in patients who received PBT. Severe RIL in patients receiving PBT was seen in only CNS WHO Gr-4 tumors. Mean whole brain V20GyE and V25GyE inversely correlated to nadir ALC and were both significantly lower with PBT. Patients with lymphopenia during PBT showed a trend toward poorer progression-free survival (P = .053) compared to those with maintained lymphocyte counts.

Conclusions
Proton therapy seems to have a superior sparing of normal brain to moderate dose radiation than photon-based RT and reduces the incidence of lymphopenia. Glioma patients with lymphopenia possibly have worse outcomes than the ones with maintained lymphocyte counts.
Simulated Target Attainment of Multidose Regimens of Dalbavancin for Prolonged Durations of Therapy
Authors: Volk Cecilia F , Hutson Paul R , Rose Warren E 
Published: June 2024

Abstract

Background
Dalbavancin is a long-acting lipoglycopeptide antibiotic that is increasingly utilized for infections that require prolonged treatment durations despite the lack of Food and Drug Administration approval for these indications. There is no consensus regarding optimal dosing of dalbavancin for these infections and no available pharmacokinetic studies to identify optimal dosing for long-term use.

Methods
An in silico pharmacokinetic simulation was performed to assess the predicted dalbavancin concentration resulting from commonly utilized dosing regimens, in addition to modified regimens. The primary endpoint evaluated was days of median 24-hour free area under the curve over the minimum inhibitory concentration (AUC/MIC) &gt;27.1, the established PK target.

Results
A dosing regimen of 1500 mg on day 0 and day 7 resulted in median AUC/breakpoint value above the target for 57 days (lower 95% confidence interval [CI], 37 days). A modified regimen of 1500 mg on day 0 and day 21 resulted in an additional 11 days of median AUC/breakpoint target attainment. The other standard dosing regimen modeled was 1000 mg on day 0, then 500 mg weekly for 5 doses. This regimen achieved the AUC/breakpoint target for 76 days (lower 95% CI, 59 days). This regimen was modified to 1000 mg on day 0, then 500 mg on days 14 and 28, which shortened the median effective treatment duration by 14 days but required 3 fewer doses.

Conclusions
These simulated results, when combined with the favorable observational data, support the use of commonly reported dalbavancin regimens for prolonged therapy durations. In addition, these pharmacokinetic/pharmacodynamic data support extending the dosing interval beyond the frequently reported weekly regimens, which should be investigated further with a clinical trial.
Oncofusions – shaping cancer care
Authors: Dashi Giovanna , Varjosalo Markku 
Published: June 2024

Abstract
Cancer manifests through a spectrum of mutations, including gene fusions termed oncofusions. These structural alterations influence tumorigenesis across various cancer types. Oncofusions arise primarily from genomic rearrangements and operate through deregulation or hybrid gene formation mechanisms. Notable examples such as BCR::ABL and EWS::FLI1 underscore their clinical significance. Several case studies exemplify the role of identifying and targeting oncofusions in guiding treatment decisions and improving patient outcomes. However, challenges persist in discerning drivers from passenger mutations and addressing acquired resistance. Despite advancements, the complexity of oncofusions warrants further exploration of their full potential as therapeutic targets, requiring a multidisciplinary approach integrating genomics, functional studies, and innovative drug discovery strategies to achieve precision in medicine.
You are unmuted: The impact of virtual arrangements on women and old age legislators’ participation during the COVID-19 pandemic
Authors: Ting Wang Leung 
Published: June 2024

Abstract
During the COVID-19 pandemic, parliaments around the world implemented virtual arrangements to facilitate participation by legislators who were negatively affected. This article explores if the pandemic had a differential impact on MP participation in parliamentary proceedings by age or gender and whether virtual arrangements have mitigated these adverse effects. Using the adoption of hybrid proceedings in the United Kingdom House of Commons as its case study, and exploiting the change in its form and application during the pandemic period as treatment, this article demonstrates that the pandemic has had an especially adverse impact on women MPs’ participation in parliamentary proceedings and that virtual arrangements had a substantive role in mitigating the gendered effect of the pandemic when its application was more extensive. These results suggest that maintaining virtual arrangements for parliamentary proceedings post-pandemic is potentially beneficial for the descriptive representation of women.
Mineral Textures and Chemistry Trace the Origin and Transcrustal Evolution of the Sanyuangou Syenite in Southern North China Craton
Authors: Ma Jian-Feng , Zhao Tai-Ping , Hou Tong , Qu Chuan-Hao 
Published: June 2024

Abstract
Alkaline rocks are widely distributed in various geological environments and are important carriers for exploring the formation and compositional diversity of continental crust. Extensive studies have investigated the processes of mantle melting and crustal differentiation that produced such rocks. However, the potential interaction processes between mantle-derived magma and crust during their formation are poorly constrained. In this study, we focus on a Paleoproterozoic garnet-bearing syenite in the Xiong'er large igneous province (LIP) on the southern margin of the North China Craton through detailed whole-rock and mineral analyses. The high K2O (7.4–8.8 wt %) syenite emplaced at ~1772 Ma with ancient inherited zircon (1800–2800 Ma). The dominant mineral assemblage is composed of clinopyroxene, garnet, and K-feldspar with a small amount of titanite. Complex compositional oscillatory zoning of clinopyroxene and garnet indicates that magma mixing played a significant role in the formation of the syenite. We estimated the major elements composition for melts in equilibrium with clinopyroxene and calculated the clinopyroxene/melt partition coefficients by crystal lattice strain model, thus calculating the trace elements of the equilibrated melts. The equilibrium melts of high Mg# (&gt;85) clinopyroxene have high CaO/Al2O3 (&gt;0.6) and low Hf/Sm (&lt;0.4), which suggests a role for carbonatitic metasomatism of the mantle. The variables La/Yb (24.4–56.1), Dy/Yb (0.8–5.9), and Yb (0.6–10.3 μg/g) indicate that the initial melts were formed by 1% to 2% partial melting of spinel-garnet phlogopite lherzolite. An REE-based model for melts in equilibrium with low Mg# (&lt;85) clinopyroxene indicates that 10% to 30% felsic magma from ancient crust participated in hybridization. In addition to well-documented magma mixing, the oscillatory zoning of garnet is also related to competition with titanite. The initial alkaline magmas have a high water content (~4 wt %), which delays the crystallization of K-feldspar, leading to the enrichment of K2O, until the K-feldspar accumulates in the shallow crust to form the syenite. Magma mixing under an open system further leads to alkalinity enrichment. Magma source and crustal evolution jointly determine the potassium-rich characteristics of syenite. Multiple episodes of magma mixing and fractional crystallization occur in the crust (700–300 MPa), suggesting complex and vertically extensive magma chambers. This study represents the first identification of carbonatitic metasomatism as a mantle source in the Xiong'er LIP. Furthermore, it offers a new perspective on magma mixing between the mantle and crust in transcrustal magmatic systems, contributing to the formation of alkaline rocks.
Effects of motor imagery using virtual reality on pain sensitivity and affect in healthy individuals: a prospective randomized crossover study
Authors: Niwa Yuto , Shimo Kazuhiro , Ohga Satoshi , Hattori Takafumi , Dokita Ayaka , Matsubara Takako 
Published: June 2024

Abstract

Objective
Exercise induces a hypoalgesic response and improves affect. However, some individuals are unable to exercise for various reasons. Motor imagery, involving kinesthetic and visual imagery without physical movement, activates brain regions associated with these benefits and could be an alternative for those unable to exercise. Virtual reality also enhances motor imagery performance because of its illusion and embodiment. Therefore, we examined the effects of motor imagery combined with virtual reality on pain sensitivity and affect in healthy individuals.

Design
Randomized crossover study.

Setting
Laboratory.

Subjects
Thirty-six participants (women: 18) were included.

Methods
Each participant completed three 10-min experimental sessions, comprising actual exercise, motor imagery only, and motor imagery combined with virtual reality. Hypoalgesic responses and affective improvement were assessed using the pressure-pain threshold and the Positive and Negative Affect Schedule, respectively.

Results
All interventions significantly increased the pressure-pain threshold at the thigh (P &lt; .001). Motor imagery combined with virtual reality increased the pressure-pain threshold more than motor imagery alone, but the threshold was similar to that of actual exercise (both P ≥ .05). All interventions significantly decreased the negative affect of the Positive and Negative Affect Schedule (all P &lt; .05).

Conclusions
Motor imagery combined with virtual reality exerted hypoalgesic and affective-improvement effects similar to those of actual exercise.

Clinical trials registration
The study was enrolled in the UMIN Clinical Trials Registry (registration number: UMIN000046095). The website for registration information is https://center6.umin.ac.jp/cgi-open-bin/ctr_e/ctr_view.cgi?recptno=R000052614
Regulating neuronal excitability: The role of S-palmitoylation in NaV1.7 activity and voltage sensitivity
Authors: Tang Cheng , Duran Paz , Calderon-Rivera Aida , Loya-Lopez Santiago , Gomez Kimberly , Perez-Miller Samantha , Khanna Rajesh 
Published: June 2024

Abstract
S-palmitoylation, a reversible lipid post-translational modification, regulates the functions of numerous proteins. Voltage-gated sodium channels (NaVs), pivotal in action potential generation and propagation within cardiac cells and sensory neurons, can be directly or indirectly modulated by S-palmitoylation, impacting channel trafficking and function. However, the role of S-palmitoylation in modulating NaV1.7, a significant contributor to pain pathophysiology, has remained unexplored. Here, we addressed this knowledge gap by investigating if S-palmitoylation influences NaV1.7 channel function. Acyl-biotin exchange assays demonstrated that heterologously expressed NaV1.7 channels are modified by S-palmitoylation. Blocking S-palmitoylation with 2-bromopalmitate resulted in reduced NaV1.7 current density and hyperpolarized steady-state inactivation. We identified two S-palmitoylation sites within NaV1.7, both located in the second intracellular loop, which regulated different properties of the channel. Specifically, S-palmitoylation of cysteine 1126 enhanced NaV1.7 current density, while S-palmitoylation of cysteine 1152 modulated voltage-dependent inactivation. Blocking S-palmitoylation altered excitability of rat dorsal root ganglion neurons. Lastly, in human sensory neurons, NaV1.7 undergoes S-palmitoylation, and the attenuation of this post-translational modification results in alterations in the voltage-dependence of activation, leading to decreased neuronal excitability. Our data show, for the first time, that S-palmitoylation affects NaV1.7 channels, exerting regulatory control over their activity and, consequently, impacting rodent and human sensory neuron excitability. These findings provide a foundation for future pharmacological studies, potentially uncovering novel therapeutic avenues in the modulation of S-palmitoylation for NaV1.7 channels.
Power law of path multiplicity in complex networks
Authors: Deng Ye , Wu Jun 
Published: June 2024

Abstract
Complex networks describe a wide range of systems in nature and society. As a fundamental concept of graph theory, the path connecting nodes and edges plays a vital role in network science. Rather than focusing on the path length or path centrality, here we draw attention to the path multiplicity related to decision-making efficiency, which is defined as the number of shortest paths between node pairs and thus characterizes the routing choice diversity. Notably, through extensive empirical investigations from this new perspective, we surprisingly observe a “hesitant-world” feature along with the “small-world” feature and find a universal power-law of the path multiplicity, meaning that a small number of node pairs possess high path multiplicity. We demonstrate that the power-law of path multiplicity is much stronger than the power-law of node degree, which is known as the scale-free property. Then, we show that these phenomena cannot be captured by existing classical network models. Furthermore, we explore the relationship between the path multiplicity and existing typical network metrics, such as average shortest path length, clustering coefficient, assortativity coefficient, and node centralities. We demonstrate that the path multiplicity is a distinctive network metric. These results expand our knowledge of network structure and provide a novel viewpoint for network design and optimization with significant potential applications in biological, social, and man-made networks.