bluuebunny/crossref_metadata_2025 huggingface dataset:
Cell therapy in Sjögren's syndrome: opportunities and challenges
Authors: Lu Yangyang , Shi Rongjing , He Wenqin , An Qi , Zhao Jingwen , Gao Xinnan , Zhang Baiyan , Zhang Liyun , Xu Ke , Ma Dan
Published: October 2024

Sjögren's syndrome (SS) is a chronic autoimmune disease caused by immune system disorders. The main clinical manifestations of SS are dry mouth and eyes caused by the destruction of exocrine glands, such as the salivary and lacrimal glands, and systemic manifestations, such as interstitial pneumonia, interstitial nephritis and vasculitis. The pathogenesis of this condition is complex. However, this has not been fully elucidated. Treatment mainly consists of glucocorticoids, disease-modifying antirheumatic drugs and biological agents, which can only control inflammation but not repair the tissue. Therefore, identifying methods to regulate immune disorders and repair damaged tissues is imperative. Cell therapy involves the transplantation of autologous or allogeneic normal or bioengineered cells into the body of a patient to replace damaged cells or achieve a stronger immunomodulatory capacity to cure diseases, mainly including stem cell therapy and immune cell therapy. Cell therapy can reduce inflammation, relieve symptoms and promote tissue repair and regeneration of exocrine glands such as the salivary glands. It has broad application prospects and may become a new treatment strategy for patients with SS. However, there are various challenges in cell preparation, culture, storage and transportation. This article reviews the research status and prospects of cell therapies for SS.
Exploring mental health literacy among prospective university students using GIS techniques in Bangladesh: an exploratory study
Authors: Mamun Mohammed A. , Al-Mamun Firoj , Ikram Tamim , Trisha Marjia Khan , Limon Muzibul Haque , Mostofa Nahida Bintee , Chowdhury Tasnim B.K. , Shanto Nobendo Paul , ALmerab Moneerah Mohammad , Apou Arif Chowdhury , Roy Nitai , Hossain Md. Bellal , Hossain Md. Shakhaoat
Published: October 2024

Prospective university students experience substantial academic stressors and psychological vulnerabilities, yet their mental health literacy (MHL) remains inadequately explored. This study investigates four dimensions of MHL – help-seeking behaviors, stigma, knowledge about mental health and understanding of mental illnesses. Besides, Geographic Information System (GIS) techniques are employed to analyze spatial disparities in MHL, which is the first in the context of MHL research. A total of 1,485 students were assessed for sociodemographic characteristics, admission-related variables, health behaviors and family histories of mental health issues. Data were analyzed using SPSS and ArcGIS software. Multivariable linear regression analyses unveiled predictors of the MHL dimensions, with gender, family income, admission test performance, smoking, alcohol and drug use, physical and mental health history, current depression or anxiety and family history of mental health and suicide incidents emerging as common predictors. GIS analysis unraveled notable regional disparities in MHL, particularly in knowledge of mental health and mental illness, with northern and some southern districts displaying higher literacy levels. In conclusion, these findings accentuate significant gender and sociodemographic inequalities in MHL among prospective university students, highlighting the imperative for targeted interventions to enhance MHL and foster mental well-being in this cohort.
A survey of healthcare workers on the acceptance and value of personal protective equipment for patient care
Authors: Schrank Gregory M. , O’Hara Lyndsay M. , Pineles Lisa , Popescu Saskia , Brown Jessica P. , Magder Larry , Harris Anthony D.
Published: October 2024

Objective:

Assess healthcare workers’ (HCW) attitudes toward universal masking, and gowns and gloves used as part of transmission-based precautions.

Design:

Cross-sectional survey.

Setting:

Academic, tertiary care medical center in Baltimore, Maryland.

Participants:

HCW who work in patient care areas and have contact with patients.

Methods:

In May 2023, a 15-question web-based survey was distributed by the hospital’s communications team via email. The survey contained questions to assess HCW perceptions of universal masking policies prior to the availability of COVID-19 vaccines and at the time of the survey, and the use of gowns and gloves for transmission-based precautions. Descriptive statistics were used to summarize data. Differences in agreement with universal masking over time, level of agreement with gown and glove policies, and with all PPE types across respondent characteristics were assessed.

Results:

257 eligible respondents completed the survey. Nurses and patient care technicians (43%) and providers (17%) were the most commonly reported roles. Agreement with universal mask use decreased from 84% early in the pandemic to 55% at the time of the survey. 70% and 72% of HCW agreed masks protect themselves and others, respectively. 63% expressed any level of annoyance with mask wearing, the most often due to communication challenges or physical discomfort. 75% agreed with gown use for antibiotic-resistant bacteria compared with 90% for glove use.

Conclusions:

The majority of HCW agree with the use of PPE to prevent pathogen transmission in the healthcare setting. Agreement with universal mask use for patient care shifted during the COVID-19 pandemic.
Anorexia nervosa polygenic risk, beyond diagnoses: relationship with adolescent disordered eating and behaviors in an Australian female twin population
Authors: Curtis Madeleine , Colodro-Conde Lucia , Medland Sarah E. , Gordon Scott , Martin Nicholas G. , Wade Tracey D. , Cohen-Woods Sarah
Published: October 2024

Background

It is well established that there is a substantial genetic component to eating disorders (EDs). Polygenic risk scores (PRSs) can be used to quantify cumulative genetic risk for a trait at an individual level. Recent studies suggest PRSs for anorexia nervosa (AN) may also predict risk for other disordered eating behaviors, but no study has examined if PRS for AN can predict disordered eating as a global continuous measure. This study aimed to investigate whether PRS for AN predicted overall levels of disordered eating, or specific lifetime disordered eating behaviors, in an Australian adolescent female population.

Methods

PRSs were calculated based on summary statistics from the largest Psychiatric Genomics Consortium AN genome-wide association study to date. Analyses were performed using genome-wide complex trait analysis to test the associations between AN PRS and disordered eating global scores, avoidance of eating, objective bulimic episodes, self-induced vomiting, and driven exercise in a sample of Australian adolescent female twins recruited from the Australian Twin Registry (N = 383).

Results

After applying the false-discovery rate correction, the AN PRS was significantly associated with all disordered eating outcomes.

Conclusions

Findings suggest shared genetic etiology across disordered eating presentations and provide insight into the utility of AN PRS for predicting disordered eating behaviors in the general population. In the future, PRSs for EDs may have clinical utility in early disordered eating risk identification, prevention, and intervention.
Exploring bullying in cardiothoracic surgery: the role of psychological safety and personal traits
Authors: Sydorenko Anastasiia Yuriivna , Spindler Helle
Published: October 2024

Background:

Lack of psychological safety within surgical teams and fear of damaging one’s career or reputation may counteract the effect of formal reporting as a tool for preventing bullying. Also, personality traits of cardiothoracic surgeons may promote bullying. In the current study, we evaluate these factors and their association with bullying in cardiothoracic surgical teams.

Methods:

Forty-four cardiothoracic surgeons filled in the Negative Acts Questionnaire-Revised, Safety Attitude Questionnaire, and Big Five Inventory.

Results:

Of the 44 participants, 18 (40.90%) experienced bullying during their careers. Psychological safety was negatively associated with work-related bullying and positively associated with the agreeableness and openness personality factors.

Conclusion:

Bullying within the cardiothoracic surgical teams is a prominent problem that is negatively associated with psychological safety. Psychological safety is positively associated with agreeableness and openness, and interventions focusing on promoting an organizational culture based on such factors may improve the effectiveness of such interventions.
The Geometry of Flow: Advancing Predictions of River Geometry With Multi‐Model Machine Learning
Authors: Chang Shuyu Y. , Ghahremani Zahra , Manuel Laura , Erfani Seyed Mohammad Hassan , Shen Chaopeng , Cohen Sagy , Van Meter Kimberly J. , Pierce Jennifer L. , Meselhe Ehab A. , Goharian Erfan
Published: October 2024

Hydraulic geometry parameters describing river hydrogeomorphic relationships are critical for determining a channel's capacity to convey water and sediment which is important for flood forecasting. Although well‐established, power‐law hydraulic geometry curves have been widely used to understand riverine systems and mapping flooding inundation worldwide for the past 70 years, we have become increasingly aware of their limitations. In the present study, we have moved beyond these traditional power‐law relationships, testing the ability of machine‐learning models to provide improved predictions of river width and depth. For this work, we have used an unprecedentedly large river measurement data set (HYDRoSWOT) as well as a suite of watershed predictor data to develop novel data‐driven approaches to better estimate river geometries over the contiguous United States (CONUS). Our Random Forest, XGBoost, and neural network models out‐performed the traditional, regionalized power law‐based hydraulic geometry equations for both width and depth, providing R‐squared values of as high as 0.75 for width and as high as 0.67 for depth, compared with R‐squared values of 0.45 for width and 0.18 for depth from the regional hydraulic geometry equations. Our results also show diverse performance outcomes across stream orders and geographical regions for the different machine‐learning models, demonstrating the value of using multi‐model approaches to maximize the predictability of river geometry. The developed models have been used to create the newly publicly available STREAM‐geo data set, which provides river width, depth, width/depth ratio, and river and stream surface area (%RSSA) for nearly 2.7 million NHDPlus stream reaches across the contiguous US.
Strong Linkage Between Observed Daily Precipitation Extremes and Anthropogenic Emissions Across the Contiguous United States
Authors: Nanditha J. S. , Villarini Gabriele , Kim Hanbeen , Naveau Philippe
Published: October 2024

The results of probabilistic event attribution studies depend on the choice of the extreme value statistics used in the analysis, particularly with the arbitrariness in the selection of appropriate thresholds to define extremes. We bypass this issue by using the Extended Generalized Pareto Distribution (ExtGPD), which jointly models low precipitation with a generalized Pareto distribution and extremes with a different Pareto tail, to conduct daily precipitation attribution across the contiguous United States (CONUS). We apply the ExtGPD to 12 general circulation models from the Coupled Model Intercomparison Project Phase 6 and compare counterfactual scenarios with and without anthropogenic emissions. Observed precipitation by the Climate Prediction Center is used for evaluating the GCMs. We find that greenhouse gases rather than natural variability can explain the observed magnitude of extreme daily precipitation, especially in the temperate regions. Our results highlight an unambiguous linkage of anthropogenic emissions to daily precipitation extremes across CONUS.
Association between BNP and all-cause mortality in critically ill children: a cohort study
Authors: Zhang Zhen , Li Yuna , Yang Chunfeng , Li Yumei
Published: October 2024

Background

There is evidence that a high level of BNP is associated with poorer outcomes in patients with cardiac diseases, but few data are available concerning BNP and all-cause mortality in pediatric population.

Methods

Using the 2010–2018 pediatric intensive care database, we conducted a retrospective study on patients aged 28 days to 18 years, analyzing post-admission BNP measurements. Through two-piecewise regression to identify inflection points, and multivariable logistic regression, we investigated BNP’s association with all-cause mortality. We also developed a multivariable-adjusted restricted cubic spline model to explore BNP’s non-linear correlation with mortality.

Results

In a study of 3220 patients, the overall all-cause mortality rate was 6.7%, with rates across BNP quartiles (Q1–Q4) significantly differing, highlighting a notable increase in mortality at higher BNP levels (P < 0.001). Specifically, patients with BNP ≥ 10,170 pg/ml had an adjusted mortality odds ratio (OR) of 2.017 (95% CI 1.265–3.217; P = 0.0032). Analysis confirmed a non-linear relationship between BNP levels and mortality, with log2 BNP associated with increased risk (OR1.28, 95% CI 1.19–1.38; P < 0.001). Subgroup analyses further revealed that very high BNP levels, especially in infants, with lactate ≥2.0 mmol/L, or CKMB ≥ 45 μ/L.

Conclusions

BNP level was associated with all-cause mortality, especially for the patients with BNP ≥ 10,170 pg/ml.

Impact

This study explored the non-linear association between BNP levels and all-cause mortality in the PICU, finding a significant association among patients with BNP levels above 10,170 pg/ml.

The study revealed that higher BNP levels are associated with increased mortality in critically ill children, including those with non-cardiac diseases.

This research provides new data on a Southern Chinese population, previously unstudied, enriching the existing body of knowledge.

While most studies have focused on adult cardiac patients, this research highlights the importance of BNP as a prognostic tool in the PICU, including non-cardiac cases, adding to the literature.

This study furnishes novel clinical evidence supporting the monitoring of BNP concentrations within the PICU, aiding in prognostic predictions and the development of tailored treatment plans for patients.
Systemic longitudinal immune profiling identifies proliferating Treg cells as predictors of immunotherapy benefit: biomarker analysis from the phase 3 CONTINUUM and DIPPER trials
Authors: Huang Sai-Wei , Jiang Wei , Xu Sha , Zhang Yuan , Du Juan , Wang Ya-Qin , Yang Kun-Yu , Zhang Ning , Liu Fang , Zou Guo-Rong , Jin Feng , Wu Hai-Jun , Zhou Yang-Ying , Zhu Xiao-Dong , Chen Nian-Yong , Xu Cheng , Qiao Han , Liu Na , Sun Ying , Ma Jun , Liang Ye-Lin , Liu Xu
Published: October 2024

The identification of predictors for immunotherapy is often hampered by the absence of control groups in many studies, making it difficult to distinguish between prognostic and predictive biomarkers. This study presents biomarker analyses from the phase 3 CONTINUUM trial (NCT03700476), the first to show that adding anti-PD-1 (aPD1) to chemoradiotherapy (CRT) improves event-free survival (EFS) in patients with locoregionally advanced nasopharyngeal carcinoma. A dynamic single-cell atlas was profiled using mass cytometry on peripheral blood mononuclear cell samples from 12 pairs of matched relapsing and non-relapsing patients in the aPD1-CRT arm. Using a supervised representation learning algorithm, we identified a Ki67+ proliferating regulatory T cells (Tregs) population expressing high levels of activated and immunosuppressive molecules including FOXP3, CD38, HLA-DR, CD39, and PD-1, whose abundance correlated with treatment outcome. The frequency of these Ki67+ Tregs was significantly higher at baseline and increased during treatment in patients who relapsed compared to non-relapsers. Further validation through flow cytometry (n = 120) confirmed the predictive value of this Treg subset. Multiplex immunohistochemistry (n = 249) demonstrated that Ki67+ Tregs in tumors could predict immunotherapy benefit, with aPD1 improving EFS only in patients with low baseline levels of Ki67+ Tregs. These findings were further validated in the multicenter phase 3 DIPPER trial (n = 262, NCT03427827) and the phase 3 OAK trial of anti-PD-L1 immunotherapy in NSCLC, underscoring the predictive value of Ki67+ Treg frequency in identifying the beneficiaries of immunotherapy and potentially guiding personalized treatment strategies.
Stress relaxation and improved fracture toughness of metal bonding using flexible monolith sheets and an epoxy adhesive
Authors: Kamo Yoshiyuki , Matsumoto Akikazu
Published: October 2024

While epoxy resins exhibit excellent mechanical and insulating properties as well as excellent stability against heat and chemicals, epoxy adhesives also have drawbacks such as brittleness and stress concentration. Rubber-based materials are often added to epoxy adhesives to increase toughness, but they are sensitive to heat and moisture, limiting their effectiveness in harsh environments. In this study, we propose a new sheet-type adhesive consisting of a conventional liquid epoxy adhesive and an epoxy monolith sheet with internal continuous pores, using the advantageous properties of the flexibility and toughness of the epoxy monolith to avoid stress concentration. We evaluated the adhesion strength for metal bonding using the sheet-type epoxy adhesives via a lap-shear tensile adhesion test at various temperatures. The total destruction energy was also estimated via a tapered double cantilever beam test. Furthermore, a heat cycle adhesion test was conducted using two types of metallic materials with different coefficients of thermal expansion to elucidate the effect of the monolith sheet on the improvement of interfacial failure induced by stress concentration.
Direct observation of deformation and resistance to damage accumulation during shock loading of stabilized nanocrystalline Cu-Ta alloys
Authors: Hornbuckle B. C. , Koju R. K. , Kennedy G. , Jannotti P. , Lorenzo N. , Lloyd J. T. , Giri A. , Solanki K. , Thadhani N. N. , Mishin Y. , Darling K. A.
Published: October 2024

Energy absorption by matter is fundamental to natural and man-made processes. However, despite this ubiquity, developing materials capable of withstanding severe energy fluxes without degradation is a significant challenge in materials science and engineering. Despite recent advances in creating alloys resistant to energy fluxes, mitigating the damage caused by the absorption and transfer of mechanical energy remains a critical obstacle in both fundamental science and technological applications. This challenge is especially prominent when the mechanical energy is transferred to the material by shock loading. This study demonstrates a phenomenon in which microstructurally stabilized nanocrystalline Cu-Ta alloys can undergo reversal or nearly complete recovery of the dislocation structure after multiple shock-loading impacts, unlike any other known metallic material. The microstructure of these alloys can withstand repeated shock-wave interactions at pressures up to 12 GPa without any significant microstructural damage or deterioration, demonstrating an extraordinary capacity to be virtually immune to the detrimental effects of shock loading.
Community successional patterns and inter-kingdom interactions during granular biofilm development
Authors: de Celis Miguel , Modin Oskar , Arregui Lucía , Persson Frank , Santos Antonio , Belda Ignacio , Wilén Britt-Marie , Liébana Raquel
Published: October 2024

Aerobic granular sludge is a compact and efficient biofilm process used for wastewater treatment which has received much attention and is currently being implemented worldwide. The microbial associations and their ecological implications occurring during granule development, especially those involving inter-kingdom interactions, are poorly understood. In this work, we monitored the prokaryote and eukaryote community composition and structure during the granulation of activated sludge for 343 days in a sequencing batch reactor (SBR) and investigated the influence of abiotic and biotic factors on the granule development. Sludge granulation was accomplished with low-wash-out dynamics at long settling times, allowing for the microbial communities to adapt to the SBR environmental conditions. The sludge granulation and associated changes in microbial community structure could be divided into three stages: floccular, intermediate, and granular. The eukaryotic and prokaryotic communities showed parallel successional dynamics, with three main sub-communities identified for each kingdom, dominating in each stage of sludge granulation. Although inter-kingdom interactions were shown to affect community succession during the whole experiment, during granule development random factors like the availability of settlement sites or drift acquired increasing importance. The prokaryotic community was more affected by deterministic factors, including reactor conditions, while the eukaryotic community was to a larger extent shaped by biotic interactions (including inter-kingdom interactions) and stochasticity.
Quantum chemical calculation dataset for representative protein folds by the fragment molecular orbital method
Authors: Takaya Daisuke , Ohno Shu , Miyagishi Toma , Tanaka Sota , Okuwaki Koji , Watanabe Chiduru , Kato Koichiro , Tian Yu-Shi , Fukuzawa Kaori
Published: October 2024

The function of a biomacromolecule is not only determined by its three-dimensional structure but also by its electronic state. Quantum chemical calculations are promising non-empirical methods available for determining the electronic state of a given structure. In this study, we used the fragment molecular orbital (FMO) method, which applies to biopolymers such as proteins, to provide physicochemical property values on representative structures in the SCOP2 database of protein families, a subset of the Protein Data Bank. Our dataset was constructed by over 5,000 protein structures, including over 200 million inter-fragment interaction energies (IFIEs) and their energy components obtained by pair interaction energy decomposition analysis (PIEDA) using FMO-MP2/6-31 G*. Moreover, three basis sets, 6-31 G*, 6-31 G**, and cc-pVDZ, were used for the FMO calculations of each structure, making it possible to compare the energies obtained with different basis functions for the same fragment pair. The total data size is approximately 6.7 GB. Our dataset will be useful for functional analyses and machine learning based on the physicochemical property values of proteins.
CRITID: enhancing CRITIC with advanced independence testing for robust multi-criteria decision-making
Authors: Zhang Qiang , Fan Jiahui , Gao Chaobang
Published: October 2024

In multi-criteria decision-making and model evaluation, determining the weight of criteria is crucial. With the rapid development of information technology and the advent of the big data era, the need for complex problem analysis and decision-making has intensified. Traditional CRiteria Importance Through Intercriteria Correlation (CRITIC) methods rely on Pearson correlation, which may not adequately address nonlinearity in some scenarios. This study aims to refine the CRITIC method to better accommodate nonlinear relationships and enhance its robustness. We have developed a novel method named CRiteria Importance Through Intercriteria Dependence (CRITID), which leverages cutting-edge independence testing methods such as distance correlation among others. This approach enhances the assessment of intercriteria relationships. Upon application across diverse data distributions, the CRITID method has demonstrated enhanced rationality and robustness relative to the traditional CRITIC method. These improvements significantly benefit multi-criteria decision-making and model evaluation, providing a more accurate and dependable framework for analyzing complex datasets.
Large language model use in clinical oncology
Authors: Carl Nicolas , Schramm Franziska , Haggenmüller Sarah , Kather Jakob Nikolas , Hetz Martin J. , Wies Christoph , Michel Maurice Stephan , Wessels Frederik , Brinker Titus J.
Published: October 2024

Large language models (LLMs) are undergoing intensive research for various healthcare domains. This systematic review and meta-analysis assesses current applications, methodologies, and the performance of LLMs in clinical oncology. A mixed-methods approach was used to extract, summarize, and compare methodological approaches and outcomes. This review includes 34 studies. LLMs are primarily evaluated on their ability to answer oncologic questions across various domains. The meta-analysis highlights a significant performance variance, influenced by diverse methodologies and evaluation criteria. Furthermore, differences in inherent model capabilities, prompting strategies, and oncological subdomains contribute to heterogeneity. The lack of use of standardized and LLM-specific reporting protocols leads to methodological disparities, which must be addressed to ensure comparability in LLM research and ultimately leverage the reliable integration of LLM technologies into clinical practice.
Bacterial live therapeutics for human diseases
Authors: Frutos-Grilo Elisabet , Ana Yamile , Gonzalez-de Miguel Javier , Cardona-i-Collado Marcel , Rodriguez-Arce Irene , Serrano Luis
Published: October 2024

The genomic revolution has fueled rapid progress in synthetic and systems biology, opening up new possibilities for using live biotherapeutic products (LBP) to treat, attenuate or prevent human diseases. Among LBP, bacteria-based therapies are particularly promising due to their ability to colonize diverse human tissues, modulate the immune system and secrete or deliver complex biological products. These bacterial LBP include engineered pathogenic species designed to target specific diseases, and microbiota species that promote microbial balance and immune system homeostasis, either through local administration or the gut-body axes. This review focuses on recent advancements in preclinical and clinical trials of bacteria-based LBP, highlighting both on-site and long-reaching strategies.
Double dehydrogenative coupling of amino alcohols with primary alcohols under Mn(i) catalysis
Authors: Sivakumar Ganesan , Suresh Abhijith Karattil , Padhy Smruti Rekha , Balaraman Ekambaram
Published: October 2024

Herein, we unveil a method for synthesizing substituted pyrrole and pyrazine compounds via a double dehydrogenative coupling of amino alcohols with primary alcohols, facilitated by Mn(i)–PNP catalysis, which uniquely enables the simultaneous formation of C–C and C–N bonds.
Significant 13C NMR signal enhancements in amino acids via adiabatic demagnetization and remagnetization cross polarization
Authors: Ahmed Kazi S. , Harris Kristopher J.
Published: October 2024

Adiabatic demagnetization/remagnetization polarization transfers leading to nearly an order of magnitude speedup in 13C NMR spectra over the common Hartmann–Hahn mechanism.
Enhanced stability of the Nb3O6− and Nb4O6+ clusters: the nxcπ rule versus superatomic nature
Authors: Gao Yifan , Lei Xin , Cheng Ran , Lin Shiquan , Luo Zhixun
Published: October 2024

This study examines the chemical reactivity of niobium clusters with carbon dioxide (CO2), with an emphasis on the analysis of the ensuing products Nb4O6+ and Nb3O6−, which show up in the cationic and anionic mass spectra, respectively.
Two-dimensional Janus XWZAZ′ (X = S, Se, Te; A = Si, Ge; Z, Z′ = N, P, As): candidates for photocatalytic water splitting and piezoelectric materials
Authors: Gao Zhen , Wu Hongbo , He Yao , Xiong Kai
Published: October 2024

Janus two-dimensional (2D) materials exhibit strong light absorption and high solar-to-hydrogen conversion efficiency, making them promising candidates for photocatalytic water splitting applications.
Exploring the reductive CO2 fixation with amines and hydrosilanes using readily available Cu(ii) NHC–phenolate catalyst precursors
Authors: Meloni Giammarco , Morgan Luca , Cappelletti David , Bevilacqua Matteo , Graiff Claudia , Pinter Piermaria , Biffis Andrea , Tubaro Cristina , Baron Marco
Published: October 2024

Readily available Cu(ii) organometallic catalyst precursors allow the N-methylation of amines with CO2 and hydrosilanes to be efficiently performed.
In silico modeling enables greener analytical and preparative chromatographic methods
Authors: Handlovic Troy T. , Roy Daipayan , Farooq Muhammad Qamar , Leme Gabriel Mazzi , Crossley Kevin , Haidar Ahmad Imad A.
Published: October 2024

Environmental impact of chromatographic separation at both analytical and preparative scale can be significantly reduced using In Silico Modeling.
Manipulating key intermediates and suppressing the hydrogen evolution reaction via dual roles of Bi for high-efficiency nitrate to ammonia and energy conversion
Authors: Yang Chunming , Wei Tingting , Wang Chuantao , Yue Feng , Li Xiang , Pang Huijuan , Zheng Xueyan , Zhang Yantu , Fu Feng
Published: October 2024

Doped Bi adjusts the CoS2 d-band, which boosts the conversion of key intermediate *NO2, inhibiting accumulation of NO2− and suppressing the competitive HER, consequently realizing a high-efficiency electrocatalytic NH3 generation.
Vibrational analysis of auranofin complexes with cysteine and selenocysteine unveils distinct binding motifs and specific unimolecular reactivity
Authors: Paciotti Roberto , Corinti Davide , Coletti Cecilia , Re Nazzareno , Berden Giel , Oomens Jos , Fornarini Simonetta , Crestoni Maria Elisa
Published: October 2024

The [(Et3P)AuCys]+ and [(Et3P)AuSec]+ ions and their deamination products were characterized using IRMPD spectroscopy backed by DFT calculations finding differences in binding motifs and reactivity.
A narrowband ultraviolet-B-emitting LiCaPO4:Gd3+ phosphor with super-long persistent luminescence for over 100 h
Authors: Shan Xihui , Lv Xulong , Chen Dongxun , Zhang Yi , Ning Lixin , Liang Yanjie
Published: October 2024

Intense NB-UVB emission at 312 nm and super-long persistent luminescence for >100 h have been realized in a LiCaPO4:Gd3+ phosphor after ceasing X-ray excitation, accompanied by a remarkable white-to-brown photochromism phenomenon.
Kinetic analysis of kraft lignin conversion via the Fenton process: process optimization and stochastic modelling
Authors: Ramos Lucas , Maltempi-Mendes Giovani , Siqueira Adriano Francisco , Aparecida dos Santos Napoleão Diovana , Chandel Anuj Kumar
Published: October 2024

Lignin conversion through an advanced oxidative process.
Enhanced QSVM with elitist non‐dominated sorting genetic optimisation algorithm for breast cancer diagnosis
Authors: P Jose , Hariharan Shanmugasundaram , Madhivanan Vimaladevi , N Sujaudeen , Krisnamoorthy Murugaperumal , Cherukuri Aswani Kumar
Published: October 2024

Machine learning has emerged as a promising method for predicting breast cancer using quantum computation techniques. Quantum machine learning algorithms, such as quantum support vector machines (QSVMs), are demonstrating superior efficiency and economy in tackling complex problems compared to traditional machine learning methods. When compared with classical support vector machine, the quantum machine produces remarkably accurate results. The suggested quantum SVM model in this study effectively resolved the binary classification problem for diagnosing malignant breast cancer. This work introduces an enhanced approach to breast cancer diagnosis by integrating QSVM with elitist non‐dominated sorting genetic optimization (ENSGA), leveraging the strengths of both techniques to achieve more accurate and efficient classification results. ENSGA plays a crucial role in optimising QSVM parameters, ensuring that the model attains the best possible classification accuracy while considering multiple objectives simultaneously. Moreover, the quantum kernel estimation method demonstrated exceptional performance by achieving high accuracy within an impressive execution time of 0.14 in the IBM QSVM simulator. The seamless integration of quantum computation techniques with optimisation strategies such as ENSGA highlights the potential of quantum machine learning in revolutionising the field of healthcare, particularly in the domain of breast cancer diagnosis.
Detecting and sizing the Earth with PLATO: A feasibility study based on solar data
Authors: Krenn A. F. , Lendl M. , Sulis S. , Deleuil M. , Hofmeister S. J. , Jannsen N. , Fossati L. , De Ridder J. , Seynaeve D. , Jarolim R. , Veronig A. M.
Published: October 2024

Context. The PLAnetary Transits and Oscillations of stars (PLATO) mission will observe the same area of the sky continuously for at least two years in an effort to detect transit signals of an Earth-like planet orbiting a solar-like star.

Aims. We aim to study how short-term solar-like variability caused by oscillations and granulation would affect PLATO’s ability to detect and size Earth if PLATO were to observe the Solar System itself. We also compare different approaches to mitigate noise caused by short-term solar-like variability and perform realistic transit fitting of transit signals in PLATO-like light curves.

Methods. We injected Earth-like transit signals onto real solar data taken by the Helioseismic and Magnetic Imager (HMI) instrument on board the Solar Dynamics Observatory (SDO). We isolated short-term stellar variability in the HMI observations by removing any variability with characteristic timescales longer than five hours using a smooth Savitzky-Golay filter. We then added a noise model for a variety of different stellar magnitudes computed by PlatoSim assuming an observation by all 24 normal cameras. We first compared four different commonly used treatments of correlated noise in the time domain by employing them in a transit fitting scheme. We then tried to recover pairs of transit signals using an algorithm similar to the transit least squares algorithm. Finally, we performed transit fits using realistic priors on planetary and stellar parameters and assessed how accurately the pair of two injected transits was recovered.

Results. We find that short-term solar-like variability affects the correct retrieval of Earth-like transit signals in PLATO data. Variability models accounting for variations with typical timescales at the order of one hour are sufficient to mitigate these effects. We find that when the limb-darkening coefficients of the host star are properly constrained, the impact parameter does not negatively affect the detectability of a transit signal or the retrieved transit parameters, except for high values (b > 0.8). For bright targets (8.5–10.5 mag), the transit signal of an Earth analogue can reliably be detected in PLATO data. For faint targets a detection is still likely, though the results of transit search algorithms have to be verified by transit-fitting algorithms to avoid false positive detections being flagged. For bright targets (V-mag ≤ 9.5), the radius of an Earth-like planet orbiting a solar-like star can be correctly determined at a precision of 3% or less, assuming that at least two transit events are observed and the characteristics of the host star are well understood.
JWST imaging of the closest globular clusters
Authors: Libralato M. , Gerasimov R. , Bedin L. , Anderson J. , Apai D. , Bellini A. , Burgasser A. J. , Griggio M. , Nardiello D. , Salaris M. , Scalco M. , Vesperini E.
Published: October 2024

We present observations of the two closest globular clusters, NGC 6121 and NGC 6397, taken with the NIRISS detector of JWST. The combination of our new JWST data with archival Hubble Space Telescope (HST) images allows us to compute proper motions, disentangle cluster members from field objects, and probe the main sequence (MS) of the clusters down to <0.1 M⊙ as well as the brighter part of the white-dwarf sequence. We show that theoretical isochrones fall short in modeling the low-mass MS and discuss possible explanations for the observed discrepancies. Our analysis suggests that the lowest-mass members of both clusters are significantly more metal-rich and oxygen-poor than their higher-mass counterparts. It is unclear whether the difference is caused by a genuine mass-dependent chemical heterogeneity, low-temperature atmospheric processes altering the observed abundances, or systematic shortcomings in the models. We computed the present-day local luminosity and mass functions of the two clusters; our data reveal a strong flattening of the mass function indicative of a significant preferential loss of low-mass stars in agreement with previous dynamical models for these two clusters. We have made our NIRISS astro-photometric catalogs and stacked images publicly available to the community.
Reducing insecticide use in winter oilseed rape by in-field to landscape-scale agroecological pest management
Authors: Cerrutti Nicolas , Cadeddu Noémie , Carpezat Julien , Clerget Sylvie , Geloen Michael , Jamet Domitille , Robert Céline , Lauvernay Antoine , Cadoux Stéphane
Published: October 2024

Reducing insect pest damage in field crops while minimizing insecticide use poses a significant challenge for farmers in Europe. Initiated in 2019, the six-year territorial project R2D2 aimed to explore the effectiveness of an agroecological crop protection approach in the context of widespread resistance of winter oilseed rape (WOSR) autumn beetles to pyrethroid insecticides. Over an area of 1371 hectares, ten farmers collectively developed a generative experimentation based on modifying cultural practices and implementing conservation biological control to gradually phase out insecticide use. Two years later, these farmers had made significant shifts in their pest management strategies by implementing a coordinated array of pest control measures from the field to the landscape level. These changes led to a complete cessation of systematic insecticide applications on WOSR and a 37% reduction in the insecticide Treatment Frequency Index (TFI) for this crop. Despite these promising outcomes, the total TFI across all crops, as assessed at the territorial level, remained unchanged. One of the main reasons for this is the increase in aerial insecticide applications on winter barley following the ban on neonicotinoids, as well as on spring pea to combat rising pea beetle pressures across the territory. For these two crops, effective alternatives to insecticides must be identified. More time is needed to instigate fundamental changes in farming systems and to enhance natural pest regulation through conservation biological control. Farmers’ support strategy should focus on identifying and overcoming barriers to the implementation of transformative systems.
Successful Repair of Esophageal Atresia with Tracheoesophageal Fistula and Interrupted Inferior Vena Cava: A Rare Case Report
Authors: Mu Xiao Long , Wang Junqiu
Published: October 2024

Esophageal atresia (EA) with tracheoesophageal fistula (TEF) is a congenital anomaly that can present complex surgical challenges, especially when accompanied by rare vascular conditions like an interrupted inferior vena cava (IVC). The division of the azygos vein is a common part of TEF repair, but in the presence of an interrupted IVC, this can lead to life-threatening complications. We report the case of a newborn diagnosed with EA, TEF, and interrupted IVC, successfully treated through thoracotomy. This case underscores the importance of prenatal and postnatal imaging to diagnose vascular anomalies prior to TEF repair, ensuring the preservation of the azygos vein to prevent fatal outcomes. Raising awareness of this rare association is crucial to optimizing surgical planning and outcomes.
Sleep Quality in Parkinson Disease: Clinical Insights and PSQI Reliability Assessment
Authors: Pezzini Julia Valle , Trevisan Dante Diniz , Dominiak Soares Victor Henrique , Gauer Luís Eduardo , Lima Marcelo M. S.
Published: October 2024

Sleep disturbances are prevalent in Parkinson disease (PD), encompassing a spectrum from parasomnias like REM sleep behavior disorder to symptoms of sleep-wake cycle dysregulation, such as insomnia and daytime sleepiness. This research investigates sleep quality in PD patients compared with a matched healthy control group and explores the relationships between PD clinical characteristics and sleep parameters. Additionally, the study assesses the reliability of the Pittsburgh Sleep Quality Index (PSQI) for PD patients by examining internal consistency. The study comprises 52 participants, 27 in the PD group and 25 in the healthy control group, matched for sex and age. Sleep quality revealed that PD patients experienced significantly poorer sleep quality than the control group (p = 0.009). Weak correlations were found between PSQI scores and the modified Hoehn and Yahr scale (p = 0.062), with no correlation observed with the daily equivalent dose of levodopa (L-DOPA). The prevalence of poor sleep quality (PSQI score > 5) was 85.1% for PD patients and 68% for the control group. The internal consistency analysis of the PSQI yielded a Cronbach's
α of 0.588 for the PD group. While the PSQI demonstrates utility in detecting general sleep abnormalities and gauging patient perceptions of sleep quality in PD, its limitation as a global score is emphasized. The index prioritizes sleep habits and may not fully capture important sleep disorders in this population. These findings underscore the complex relationship between PD and sleep quality, suggesting the need for a comprehensive approach to assess and address sleep disturbances in PD patients.
A novel tapered quartz tuning fork-based laser spectroscopy sensing
Authors: Ma Yufei , Qiao Shunda , Wang Runqiu , He Ying , Fang Chao , Liang Tiantian
Published: October 2024

A novel tapered quartz tuning fork (QTF) was designed to enhance its stress magnitude and charge distribution in QTF-based laser spectroscopy, which had a low resonant frequency of 7.83 kHz and a wide fork gap for long energy accumulation time and easy optical alignment. Compared to the reported rectangular QTF, this tapered QTF transfers the maximum stress position from the root to the middle to improve its sensing performance. Furthermore, the unique design eliminates the 90° right angles typically found in standard QTFs, which often lead to undesired “webs” and “facets” during the etching process. This design minimizes performance degradation by reducing the presence of residual unexpected materials. QTF-based laser spectroscopy of quartz-enhanced photoacoustic spectroscopy (QEPAS) and light-induced thermoelastic spectroscopy (LITES) were adopted to verify its performance. Compared with the widely used standard QTF, the total surface charge of the tapered QTF was improved 5.08 times and 5.69 times in QEPAS and LITES simulations, respectively. Experiments revealed that this tapered QTF-based QEPAS sensor had a 3.02 times improvement in signal-to-noise-ratio (SNR) compared to the standard QTF-based system. Adding an acoustic micro-resonator to this tapered QTF-based QEPAS sensor improved the signal level by 97.20 times. The minimum detection limit (MDL) for acetylene (C2H2) detection was determined to be 16.45 ppbv. In the LITES technique, compared to the standard QTF, this tapered QTF-based sensor had a 3.60 times improvement in SNR. The MDL for C2H2 detection was determined to be 146.39 ppbv.
Impact of polarization pulling on optimal spectrometer design for stimulated Brillouin scattering microscopy
Authors: Rosvold Jake R. , Murray Joseph B. , Zanini Giulia , Redding Brandon , Scarcelli Giuliano
Published: October 2024

Brillouin spectroscopy has become an important tool for mapping the mechanical properties of biological samples. Recently, stimulated Brillouin scattering (SBS) measurements have emerged in this field as a promising technology for lower noise and higher speed measurements. However, further improvements are fundamentally limited by constraints on the optical power level that can be used in biological samples, which effectively caps the gain and signal-to-noise ratio (SNR) of SBS biological measurements. This limitation is compounded by practical limits on the optical probe power due to detector saturation thresholds. As a result, SBS-based measurements in biological samples have provided minimal improvements (in noise and imaging speed) compared with spontaneous Brillouin microscopy, despite the potential advantages of the nonlinear scattering process. Here, we consider how a SBS spectrometer can circumvent this fundamental trade-off in the low-gain regime by leveraging the polarization dependence of the SBS interaction to effectively filter the signal from the background light via the polarization pulling effect. We present an analytic model of the polarization pulling detection scheme and describe the trade-space unique to Brillouin microscopy applications. We show that an optimized receiver design could provide >25× improvement in SNR compared to a standard SBS receiver in most typical experimental conditions. We then experimentally validate this model using optical fiber as a simplified test bed. With our experimental parameters, we find that the polarization pulling scheme provides 100× higher SNR than a standard SBS receiver, enabling 100× faster measurements in the low-gain regime. Finally, we discuss the potential for this proposed spectrometer design to benefit low-gain spectroscopy applications such as Brillouin microscopy by enabling pixel dwell times as short as 10 μs.
Preparation of hybrid W entangled states between superconducting qubits and microwave resonators in circuit QED
Authors: Ni Jia-Heng , Zhang Dong-Xuan , Lv Wang-Chu , Bin Liang , Kang Yi-Hao , Su Qi-Ping , Yang Chui-Ping
Published: October 2024

Hybrid W entangled states are essential in quantum information processing, quantum communication, and quantum technology. In this Letter, we propose a simple method to prepare hybrid W entangled states between n superconducting (SC) qubits and n microwave resonators (MRs) in circuit QED. Only two basic operations are needed for the preparation of hybrid W states. The operational time decreases as the number of qubits increases. Since no ancillary cavity is required, the hardware resources for the state preparation are minimized. Because the state preparation does not involve any measurements, the hybrid W entangled states are generated in a deterministic way. Moreover, during the entire preparation, the high-energy levels of the SC qutrits remain unexcited, which greatly reduces decoherence of the SC qutrits. As an example, our numerical simulation demonstrates that high-fidelity preparation of the hybrid W entangled state of three SC qubits and three MRs is feasible within the current circuit QED technique. This method is universal and can be applied to generate hybrid W states of n matter qubits (e.g., atomic qubits, NV center qubits, quantum dot qubits, and magnon qubits) and n photonic qubits in various physical systems.