bluuebunny/crossref_metadata_2025 huggingface dataset:
Voretigene neparvovec for inherited retinal dystrophy due to RPE65 mutations: a scoping review of eligibility and treatment challenges from clinical trials to real practice
Authors: Testa Francesco , Bacci Giacomo , Falsini Benedetto , Iarossi Giancarlo , Melillo Paolo , Mucciolo Dario Pasquale , Murro Vittoria , Salvetti Anna Paola , Sodi Andrea , Staurenghi Giovanni , Simonelli Francesca
Published: April 2024

Biallelic mutations in the RPE65 gene affect nearly 8% of Leber Congenital Amaurosis and 2% of Retinitis Pigmentosa cases. Voretigene neparvovec (VN) is the first gene therapy approach approved for their treatment. To date, real life experience has demonstrated functional improvements following VN treatment, which are consistent with the clinical trials outcomes. However, there is currently no consensus on the characteristics for eligibility for VN treatment. We reviewed relevant literature to explore whether recommendations on patient eligibility can be extrapolated following VN marketing. We screened 166 papers through six research questions, following scoping reviews methodology, to investigate: (1) the clinical and genetic features considered in VN treatment eligibility; (2) the psychophysical tests and imaging modalities used in the pre-treatment and follow-up; (3) the potential correlations between visual function and retinal structure that can be used to define treatment impact on disease progression; (4) retinal degeneration; (5) the most advanced testing modalities; and (6) the impact of surgical procedure on treatment outcomes. Current gaps concerning patients’ eligibility in clinical settings, such as pre-treatment characteristics and outcomes are not consistently reported across the studies. No upper limit of retinal degeneration can be defined as the univocal factor in patient eligibility, although evidence suggested that the potential for function rescue is related to the preservation of photoreceptors before treatment. In general, paediatric patients retain more viable cells, present a less severe disease stage and show the highest potential for improvements, making them the most suitable candidates for treatment.
Uveal melanoma immunogenomics predict immunotherapy resistance and susceptibility
Authors: Leonard-Murali Shravan , Bhaskarla Chetana , Yadav Ghanshyam S. , Maurya Sudeep K. , Galiveti Chenna R. , Tobin Joshua A. , Kann Rachel J. , Ashwat Eishan , Murphy Patrick S. , Chakka Anish B. , Soman Vishal , Cantalupo Paul G. , Zhuo Xinming , Vyas Gopi , Kozak Dara L. , Kelly Lindsey M. , Smith Ed , Chandran Uma R. , Hsu Yen-Michael S. , Kammula Udai S.
Published: April 2024

Immune checkpoint inhibition has shown success in treating metastatic cutaneous melanoma but has limited efficacy against metastatic uveal melanoma, a rare variant arising from the immune privileged eye. To better understand this resistance, we comprehensively profile 100 human uveal melanoma metastases using clinicogenomics, transcriptomics, and tumor infiltrating lymphocyte potency assessment. We find that over half of these metastases harbor tumor infiltrating lymphocytes with potent autologous tumor specificity, despite low mutational burden and resistance to prior immunotherapies. However, we observe strikingly low intratumoral T cell receptor clonality within the tumor microenvironment even after prior immunotherapies. To harness these quiescent tumor infiltrating lymphocytes, we develop a transcriptomic biomarker to enable in vivo identification and ex vivo liberation to counter their growth suppression. Finally, we demonstrate that adoptive transfer of these transcriptomically selected tumor infiltrating lymphocytes can promote tumor immunity in patients with metastatic uveal melanoma when other immunotherapies are incapable.
Cryo-EM structures of adenosine receptor A3AR bound to selective agonists
Authors: Cai Hongmin , Guo Shimeng , Xu Youwei , Sun Jun , Li Junrui , Xia Zhikan , Jiang Yi , Xie Xin , Xu H. Eric
Published: April 2024

The adenosine A3 receptor (A3AR), a key member of the G protein-coupled receptor family, is a promising therapeutic target for inflammatory and cancerous conditions. The selective A3AR agonists, CF101 and CF102, are clinically significant, yet their recognition mechanisms remained elusive. Here we report the cryogenic electron microscopy structures of the full-length human A3AR bound to CF101 and CF102 with heterotrimeric Gi protein in complex at 3.3-3.2 Å resolution. These agonists reside in the orthosteric pocket, forming conserved interactions via their adenine moieties, while their 3-iodobenzyl groups exhibit distinct orientations. Functional assays reveal the critical role of extracellular loop 3 in A3AR’s ligand selectivity and receptor activation. Key mutations, including His3.37, Ser5.42, and Ser6.52, in a unique sub-pocket of A3AR, significantly impact receptor activation. Comparative analysis with the inactive A2AAR structure highlights a conserved receptor activation mechanism. Our findings provide comprehensive insights into the molecular recognition and signaling of A3AR, paving the way for designing subtype-selective adenosine receptor ligands.
Synergistic effect of two human-like monoclonal antibodies confers protection against orthopoxvirus infection
Authors: Tamir Hadas , Noy-Porat Tal , Melamed Sharon , Cherry-Mimran Lilach , Barlev-Gross Moria , Alcalay Ron , Yahalom-Ronen Yfat , Achdout Hagit , Politi Boaz , Erez Noam , Weiss Shay , Rosenfeld Ronit , Epstein Eyal , Mazor Ohad , Makdasi Efi , Paran Nir , Israely Tomer
Published: April 2024

The eradication of smallpox was officially declared by the WHO in 1980, leading to discontinuation of the vaccination campaign against the virus. Consequently, immunity against smallpox and related orthopoxviruses like Monkeypox virus gradually declines, highlighting the need for efficient countermeasures not only for the prevention, but also for the treatment of already exposed individuals. We have recently developed human-like monoclonal antibodies (mAbs) from vaccinia virus-immunized non-human primates. Two mAbs, MV33 and EV42, targeting the two infectious forms of the virus, were selected for in vivo evaluation, based on their in vitro neutralization potency. A single dose of either MV33 or EV42 administered three days post-infection (dpi) to BALB/c female mice provides full protection against lethal ectromelia virus challenge. Importantly, a combination of both mAbs confers full protection even when provided five dpi. Whole-body bioimaging and viral load analysis reveal that combination of the two mAbs allows for faster and more efficient clearance of the virus from target organs compared to either MV33 or EV42 separately. The combined mAbs treatment further confers post-exposure protection against the currently circulating Monkeypox virus in Cast/EiJ female mice, highlighting their therapeutic potential against other orthopoxviruses.
A fine-scale Arabidopsis chromatin landscape reveals chromatin conformation-associated transcriptional dynamics
Authors: Zhang Yueying , Dong Qianli , Wang Zhen , Liu Qinzhe , Yu Haopeng , Sun Wenqing , Cheema Jitender , You Qiancheng , Ding Ling , Cao Xiaofeng , He Chuan , Ding Yiliang , Zhang Huakun
Published: April 2024

Plants, as sessile organisms, deploy transcriptional dynamics for adapting to extreme growth conditions such as cold stress. Emerging evidence suggests that chromatin architecture contributes to transcriptional regulation. However, the relationship between chromatin architectural dynamics and transcriptional reprogramming in response to cold stress remains unclear. Here, we apply a chemical-crosslinking assisted proximity capture (CAP-C) method to elucidate the fine-scale chromatin landscape, revealing chromatin interactions within gene bodies closely associated with RNA polymerase II (Pol II) densities across initiation, pausing, and termination sites. We observe dynamic changes in chromatin interactions alongside Pol II activity alterations during cold stress, suggesting local chromatin dynamics may regulate Pol II activity. Notably, cold stress does not affect large-scale chromatin conformations. We further identify a comprehensive promoter-promoter interaction (PPI) network across the genome, potentially facilitating co-regulation of gene expression in response to cold stress. Our study deepens the understanding of chromatin conformation-associated gene regulation in plant response to cold.
Association of cytokines levels, psychopathology and cognition among CR-TRS patients with metabolic syndrome
Authors: Dong Yeqing , Zhu Minghuan , Li Yanzhe , Liu Nannan , Wang Xinxu , Yang Bing , Li Shen , Li Zezhi
Published: April 2024

Clozapine-resistant treatment-refractory schizophrenia (CR-TRS) patients face significant clinical challenges. While links between metabolic syndrome (MetS) and inflammatory cytokines in schizophrenia have been established, the relationship between MetS and cytokine levels in CR-TRS patients remains unexplored. This study aimed to investigate the relationship between cytokines levels, clinical symptoms and cognitive impairments in CR-TRS patients, both with and without MetS. The study included 69 CR-TRS patients (31with MetS and 38 without MetS) and 84 healthy controls. The levels of IL-2, IL-6, TNF-α and routine biochemical parameters were measured. Psychopathological symptoms and cognitive function were assessed using the Positive and Negative Syndrome Scale (PANSS) and the Repeatable Battery for the Assessment of Neuropsychological Status (RBANS), respectively. We found that CR-TRS patients with MetS displayed lower cognitive function scores compared to those without MetS, even when accounting for potential confounders. TNF-α levels were significantly higher in CRTRS patients with MetS compared to those without MetS, demonstrating substantial pathophysiological potential for CR-TRS patients with MetS via receiver operating characteristic curve (ROC). In CR-TRS patients without MetS, IL-2 independently contributed to the total score and general psychopathology subscore of PANSS. Additionally, IL-6 exhibited an independent contribution to the positive subscore of PANSS. In terms of cognition function, IL-6 independently contributed to the delayed memory of RBANS in CR-TRS patients without MetS. TNF-α could potentially serve as a predictive marker for distinguishing between CR-TRS patients with/without MetS, while IL-2 and IL-6 could independently contribute to psychopathological symptoms or cognitive function in CRTRS patients without MetS. Our study provided insights into the potential interplay between cytokines, clinical symptoms and cognitive impairments in CR-TRS patients with/without MetS.
An EEG Dataset of Neural Signatures in a Competitive Two-Player Game Encouraging Deceptive Behavior
Authors: Chen Yiyu , Fazli Siamac , Wallraven Christian
Published: April 2024

Studying deception is vital for understanding decision-making and social dynamics. Recent EEG research has deepened insights into the brain mechanisms behind deception. Standard methods in this field often rely on memory, are vulnerable to countermeasures, yield false positives, and lack real-world relevance. Here, we present a comprehensive dataset from an EEG-monitored competitive, two-player card game designed to elicit authentic deception behavior. Our extensive dataset contains EEG data from 12 pairs (N = 24 participants with role switching), controlled for age, gender, and risk-taking, with detailed labels and annotations. The dataset combines standard event-related potential and microstate analyses with state-of-the-art decoding approaches of four scenarios: spontaneous/instructed truth-telling and lying. This demonstrates game-based methods’ efficacy in studying deception and sets a benchmark for future research. Overall, our dataset represents a unique resource with applications in cognitive neuroscience and related fields for studying deception, competitive behavior, decision-making, inter-brain synchrony, and benchmarking of decoding frameworks in a difficult, high-level cognitive task.
Measuring social determinants of health in the All of Us Research Program
Authors: Tesfaye Samantha , Cronin Robert M. , Lopez-Class Maria , Chen Qingxia , Foster Christopher S. , Gu Callie A. , Guide Andrew , Hiatt Robert A. , Johnson Angelica S. , Joseph Christine L. M. , Khatri Parinda , Lim Sokny , Litwin Tamara R. , Munoz Fatima A. , Ramirez Andrea H. , Sansbury Heather , Schlundt David G. , Viera Emma N. , Dede-Yildirim Elif , Clark Cheryl R.
Published: April 2024

To accelerate medical breakthroughs, the All of Us Research Program aims to collect data from over one million participants. This report outlines processes used to construct the All of Us Social Determinants of Health (SDOH) survey and presents the psychometric characteristics of SDOH survey measures in All of Us. A consensus process was used to select SDOH measures, prioritizing concepts validated in diverse populations and other national cohort surveys. Survey item non-response was calculated, and Cronbach’s alpha was used to analyze psychometric properties of scales. Multivariable logistic regression models were used to examine associations between demographic categories and item non-response. Twenty-nine percent (N = 117,783) of eligible All of Us participants submitted SDOH survey data for these analyses. Most scales had less than 5% incalculable scores due to item non-response. Patterns of item non-response were seen by racial identity, educational attainment, income level, survey language, and age. Internal consistency reliability was greater than 0.80 for almost all scales and most demographic groups. The SDOH survey demonstrated good to excellent reliability across several measures and within multiple populations underrepresented in biomedical research. Bias due to survey non-response and item non-response will be monitored and addressed as the survey is fielded more completely.
First public dataset to study 2023 Turkish general election
Authors: Najafi Ali , Mugurtay Nihat , Zouzou Yasser , Demirci Ege , Demirkiran Serhat , Karadeniz Huseyin Alper , Varol Onur
Published: April 2024

In the context of Turkiye’s most recent parliamentary and presidential elections (“seçim” in Turkish), social media has played an important role in shaping public debate. It is of utmost importance to capture social media trends during the 2023 Turkish elections, since it uncovers a great deal of information of election propaganda, political debates, smear campaigns, and election manipulation by domestic and international actors. We provide a comprehensive dataset for social media researchers to study Turkish elections, develop tools to prevent online manipulation, and gather novel information to inform the public. We are committed to continually improving the data collection and updating it regularly leading up to the election. Using the dataset, researchers can examine the social and communication networks between political actors, track current trends, and investigate emerging threats to election integrity. Our dataset and analysis code available through Harvard Dataverse and Github, respectively.
Comprehensive analysis of a stochastic wireless sensor network motivated by Black-Karasinski process
Authors: Liu Peijiang , Din Anwarud
Published: April 2024

Wireless sensor networks (WSNs) encounter a significant challenge in ensuring network security due to their operational constraints. This challenge stems from the potential infiltration of malware into WSNs, where a single infected node can rapidly propagate worms to neighboring nodes. To address this issue, this research introduces a stochastic $$\textsf{S}\textsf{E}\textsf{I}\textsf{R}\textsf{S}$$

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model to characterize worm spread in WSNs. Initially, we established that our model possesses a globally positive solution. Subsequently, we determine a threshold value for our stochastic system and derive a set of sufficient conditions that dictate the persistence or extinction of worm spread in WSNs based on the mean behavior. Our study reveals that environmental randomness can impede the spread of malware in WSNs. Moreover, by utilizing various parameter sets, we obtain approximate solutions that showcase these precise findings and validate the effectiveness of the proposed $$\textsf{S}\textsf{E}\textsf{I}\textsf{R}\textsf{S}$$

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model, which surpasses existing models in mitigating worm transmission in WSNs.
Efficient synthesis of benzoacridines and indenoquinolines catalyzed by acidic magnetic dendrimer
Authors: Bodaghifard Mohammad Ali , Allahbakhshi Hanieh , Ahangarani-Farahani Rezvan
Published: April 2024

A novel solid acid catalyst with recoverability, named as Fe3O4@SiO2@TAD-G2-SO3H, was successfully synthesized by immobilizing sulfonic acid groups on triazine dendrimer-modified magnetic nanoparticles. This nanomaterial structure and composition were thoroughly characterized using various analytical techniques, including thermogravimetric analysis (TGA), elemental analysis, Fourier transform infrared spectroscopy (FT-IR), energy-dispersive X-ray spectroscopy (EDX), elemental mapping, acid–base titration, X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and vibrating sample magnetometry (VSM). The acid-decorated magnetic dendrimer was served as a highly effective catalyst for the synthesis of tetrahydrobenzo[c]acridin-8(9H)-one and benzo[h]indeno[1,2-b]quinoline-8-one derivatives. The reaction proceeded smoothly under mild conditions through the one-pot condensation of aromatic aldehydes, 1-naphthylamine, and either dimedone or 1,3-indanedione, affording the desired products in high yields ranging from 90 to 96%. The catalyst was easily separated from the reaction mixture by employing a magnetic field, allowing for its recycling up to five times with slight loss in its activity (only 10%). Nearly, quantitative recovery of catalyst (up to 95%) could be obtained from each run. So, this catalyst facilitates the reaction progress and simplifies the purification process. Other remarkable features of this method are operational simplicity, excellent yields, mild condition, and a wide range of substrate applicability.
Pupil diameter as an indicator of sound pair familiarity after statistically structured auditory sequence
Authors: Becker Janika , Korn Christoph W. , Blank Helen
Published: April 2024

Inspired by recent findings in the visual domain, we investigated whether the stimulus-evoked pupil dilation reflects temporal statistical regularities in sequences of auditory stimuli. We conducted two preregistered pupillometry experiments (experiment 1, n = 30, 21 females; experiment 2, n = 31, 22 females). In both experiments, human participants listened to sequences of spoken vowels in two conditions. In the first condition, the stimuli were presented in a random order and, in the second condition, the same stimuli were presented in a sequence structured in pairs. The second experiment replicated the first experiment with a modified timing and number of stimuli presented and without participants being informed about any sequence structure. The sound-evoked pupil dilation during a subsequent familiarity task indicated that participants learned the auditory vowel pairs of the structured condition. However, pupil diameter during the structured sequence did not differ according to the statistical regularity of the pair structure. This contrasts with similar visual studies, emphasizing the susceptibility of pupil effects during statistically structured sequences to experimental design settings in the auditory domain. In sum, our findings suggest that pupil diameter may serve as an indicator of sound pair familiarity but does not invariably respond to task-irrelevant transition probabilities of auditory sequences.
Designed and tailor-made double hydrophilic block copolymer-graphene nanoplatelet hybrids for reinforcing epoxy thermosets
Authors: Jayan Jitha S. , Deeraj BDS , Joseph Kuruvilla , Saritha Appukuttan
Published: April 2024

Because of their propensity to build micellar nanostructures, amphiphilic block copolymers (ABCs) are an appropriate and unique toughening agent for epoxy systems individually on their own and in grafted form. The presence of epoxiphilic and phobic ends in ABCs is responsible for the self-assembly and the micellar structure. Nanofiller-grafted ABCs can effectively enhance the toughness of epoxy via the synergistic interaction of nanofillers and the ABCs. Even though there is sound literature supporting the effect of ABCs in epoxy, the action of double hydrophilic block copolymers (DHBC) in the epoxy matrix is less handled. Hence, the grafting of nanofillers in DHBCs and their subsequent role in tuning the properties of epoxy is a new concept. Hence this paper tries to bridge the gap via studying the effect of grafted fillers based on DHBCs in epoxy matrix. As a result, the current study focuses on the synthesis of double hydrophilic graphene nanoplatelets (rGO-g-DHBC) via nitrogen oxide-mediated polymerization for epoxy toughening application. The prepared rGO-g-DHBC was effectively utilized for epoxy toughening applications, resulting in a 457% improvement in toughness without compromising its inherent tensile strength. The mechanism behind the improved toughness was elucidated with the help of a scanning electron microscope, and the thermal, and rheological characteristics were studied.
Comparison of visual diagnostic accuracy of dermatologists practicing in Germany in patients with light skin and skin of color
Authors: Krefting Frederik , Moelleken Maurice , Hölsken Stefanie , Placke Jan-Malte , Eisenburger Robin Tamara , Albrecht Lea Jessica , Tasdogan Alpaslan , Schadendorf Dirk , Ugurel Selma , Dissemond Joachim , Sondermann Wiebke
Published: April 2024

Visual clinical diagnosis of dermatoses in people of color (PoC) is a considerable challenge in daily clinical practice and a potential cause of misdiagnosis in this patient cohort. The study aimed to determine the difference in visual diagnostic skills of dermatologists practicing in Germany in patients with light skin (Ls) and patients with skin of color (SoC) to identify a potential need for further education. From April to June 2023, German dermatologists were invited to complete an online survey with 24 patient photographs depicting 12 skin diseases on both Ls and SoC. The study’s primary outcomes were the number of correctly rated photographs and the participants’ self-assessed certainty about the suspected visual diagnosis in Ls compared to SoC. The final analysis included surveys from a total of 129 dermatologists (47.8% female, mean age: 39.5 years). Participants were significantly more likely to correctly identify skin diseases by visual diagnostics in patients with Ls than in patients with SoC (72.1% vs. 52.8%,p≤ 0.001, OR 2.28). Additionally, they expressed higher confidence in their diagnoses for Ls than for SoC (73.9 vs. 61.7,p≤ 0.001). Therefore, further specialized training seems necessary to improve clinical care of dermatologic patients with SoC.
Risk of chronic obstructive pulmonary disease in a large cohort of Ontario, Canada workers
Authors: Sritharan Jeavana , Arrandale Victoria H. , Kirkham Tracy L. , Dakouo Mamadou , MacLeod Jill S. , Demers Paul A.
Published: April 2024

Although several occupational exposures have been linked to the risk of COPD; limited data exists on sex-specific differences. This study aimed to identify at-risk occupations and sex differences for COPD risk. Cases were identified in a large surveillance system established through the linkage of former compensation claimants’ data (non-COPD claims) to physician visits, ambulatory care data, and hospital inpatient data (1983–2020). Cox proportional hazard models were used to estimate hazard ratios (HRs) and corresponding 95% confidence intervals (CI) for occupation groups (occupation at time of claim), stratified by sex. HRs were indirectly adjusted for cigarette smoking using another population dataset. A total of 29,445 male and 14,693 female incident cases of COPD were identified. Increased risks were observed in both sexes for construction (HRmale 1.15, 95% CI 1.12–1.19; HRfemale 1.54, 95% CI 1.29–1.83) transport/equipment operating (HRmale 1.32, 95% CI 1.28–1.37; HRfemale 1.53, 95% CI 1.40–1.68) farming (HRmale 1.23, 95% CI 1.15–1.32; HRfemale 1.19, 95% CI 1.04–1.37) and janitors/cleaners (HRmale 1.31, 95% CI 1.24–1.37; HRfemale 1.40, 95% CI 1.31–1.49). Increased risks were observed for females employed as chefs and cooks (HR 1.44, 95% CI 1.31–1.58), bartenders (HR 1.38, 95% CI 1.05–1.81), and those working in food/beverage preparation (HR 1.34, 95% CI 1.24–1.45) among other occupations. This study demonstrates elevated risk of COPD among both male and female workers potentially exposed to vapours, gases, dusts, and fumes, highlighting the need for occupational surveillance of COPD.
Demographic, social, and clinical aspects associated with access to COVID-19 health care in Pará province, Brazilian Amazon
Authors: da Costa Miranda Amanda Loyse , da Paixão Ana Rosa Tavares , Pedroso Andrey Oeiras , do Espírito Santo Lima Laís , Parente Andressa Tavares , Botelho Eliã Pinheiro , Polaro Sandra Helena Isse , de Oliveira e Silva Ana Cristina , Reis Renata Karina , Ferreira Glenda Roberta Oliveira Naiff
Published: April 2024

Internal social disparities in the Brazilian Amazon became more evident during the COVID-19 pandemic. The aim of this work was to examine the demographic, social and clinical factors associated with access to COVID-19 health care in Pará Province in the Brazilian Amazon. This was an observational, cross-sectional, analytical study using a quantitative method through an online survey conducted from May to August 2023. People were eligible to participate if they were current residents of Pará, 18-years-old or older, with self-reported diagnoses of COVID-19 through rapid or laboratory tests. Participants completed an electronic survey was developed using Research Electronic Data Capture (REDCap) software—The adapted questionnaire “COVID-19 Global Clinical Platform: Case Report Form for Post-COVID Condition”. Questions focused on access to COVID-19 treatment, demographic characteristics, COVID-19 vaccine and clinical characteristics. Respondent-driven sampling was applied to recruit participants. Multiple logistic regression was utilized to identify the associated factors. Overall, a total of 638 participants were included. The average age was 31.1 years. Access to COVID-19 health care was 68.65% (438/638). The participants most likely to access health care were those with moderate or severe COVID-19 (p = 0.000; OR: 19.8) and females (p = 0.001; OR: 1.99). Moreover, participants who used homemade tea or herbal medicines were less likely to receive health care for COVID-19 in health services (p = 0.002; OR: 0.54). Ensuring access to healthcare is important in a pandemic scenario.
Enhancing diagnosis of benign lesions and lung cancer through ensemble text and breath analysis: a retrospective cohort study
Authors: Wang Hao , Wu Yinghua , Sun Meixiu , Cui Xiaonan
Published: April 2024

Early diagnosis of lung cancer (LC) can significantly reduce its mortality rate. Considering the limitations of the high false positive rate and reliance on radiologists’ experience in computed tomography (CT)–based diagnosis, a multi-modal early LC screening model that combines radiology with other non-invasive, rapid detection methods is warranted. A high-resolution, multi-modal, and low-differentiation LC screening strategy named ensemble text and breath analysis (ETBA) is proposed that ensembles radiology report text analysis and breath analysis. In total, 231 samples (140 LC patients and 91 benign lesions [BL] patients) were screened using proton transfer reaction–time of flight–mass spectrometry and CT screening. Participants were randomly assigned to a training set and a validation set (4:1) with stratification. The report section of the radiology reports was used to train a text analysis (TA) model with a natural language processing algorithm. Twenty-two volatile organic compounds (VOCs) in the exhaled breath and the prediction results of the TA model were used as predictors to develop the ETBA model using an extreme gradient boosting algorithm. A breath analysis model was developed based on the 22 VOCs. The BA and TA models were compared with the ETBA model. The ETBA model achieved a sensitivity of 94.3%, a specificity of 77.3%, and an accuracy of 87.7% with the validation set. The radiologist diagnosis performance with the validation set had a sensitivity of 74.3%, a specificity of 59.1%, and an accuracy of 68.1%. High sensitivity and specificity were obtained by the ETBA model compared with radiologist diagnosis. The ETBA model has the potential to provide sensitivity and specificity in CT screening of LC. This approach is rapid, non-invasive, multi-dimensional, and accurate for LC and BL diagnosis.
A novel robust evaluation approach to improve systematic behavior of failure safety in water supply system under various ellipsoid uncertainties
Authors: Yuan He , Mahdi Moudi , Xueqian Song , Galoie Majid
Published: April 2024

This study proposes a novel robust optimization approach for an integrated water supply system, wherein the decision-makers attempt to improve failure safety of system under various uncertainty strategies. To cope with uncertainty, the ellipsoid uncertainty set is assumed to evaluate the best feasible solution in the direction of water supply under various strategies. We assessed the case of Hamoun watershed, a water-stressed watershed in southeastern of Iran, to evaluate the developed robust optimization model. In the following, the comparative feasibility under uncertainty levels is conducted to analyze the impacts of simulation strategies on the status of robust model. Based on the final results, the reliability of the model's objective functions experienced an increasing trend ($$58.3\%$$

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), and the objective function values under the uncertainty strategies is greatly improved. The findings of the analysis show that the robust strategies in response to the failure safety achieve outstanding optimal objectives under uncertainty.
Diagnoses of obstetric and postpartum thyroid disease: a Danish validation study
Authors: Houmøller Anne Myrup , Gerlif Katrine , Torp Nanna Maria Uldall , Andersen Stine Linding
Published: April 2024

Different diagnoses of thyroid disease are available in the 10th International Classification of Diseases (ICD-10), but the validity of diagnoses related to obstetric and postpartum thyroid disease is unknown. This was a retrospective cohort study of all patients in the North Denmark Region with a diagnosis of postpartum thyroiditis (PPT) (ICD-10: O905) from 2016 to 2019 or obstetric thyroid disease in 2019 (ICD-10: O992B (hypothyroidism) or O992C (hyperthyroidism)) registered in the Danish National Hospital Register. Information from nationwide registers and medical records were used to assess the validity. Among patients with an O905-diagnosis (n = 40), abnormal thyroid function test results were seen in all cases. A total of eight patients (20.0%) were positive for thyrotropin receptor antibodies postpartum, however, in low titers, and PPT was verified in 39 of 40 cases (97.5%). Altogether 45 of 50 patients with an O992B-diagnosis (90.0%) correctly had hypothyroidism, whereas hyperthyroidism was found in 25 of 39 patients with an O992C-diagnosis (64.1%). This is the first study to validate ICD-10 diagnoses of obstetric and postpartum thyroid disease. A high validity was seen for PPT (O905) and obstetric hypothyroidism (O992B), whereas for obstetric hyperthyroidism (O992C), the diagnosis could not be verified in one third of the cases.
Assessment of electrical conductivity of polymer nanocomposites containing a deficient interphase around graphene nanosheet
Authors: Zare Yasser , Munir Muhammad Tajammal , Rhee Kyong Yop
Published: April 2024

In this study, a poor/imperfect interphase is assumed to express the effective interphase thickness, operative filler concentration, percolation onset and volume share of network in graphene–polymer systems. Additionally, a conventional model is advanced by the mentioned terms for conductivity of samples by the extent of conduction transference between graphene and polymer medium. The model predictions are linked to the experimented data. Likewise, the mentioned terms as well as the conductivity of nanocomposites are expressed at dissimilar ranges of various factors. The novel equations successfully predict the percolation onset and conductivity in the samples containing a poor/imperfect interphase. Thin and long nanosheets with high conduction transportation desirably govern the percolation onset and nanocomposite conductivity, but a bigger tunneling distance causes a lower conductivity.
Co-clustering of EphB6 and ephrinB1 in trans restrains cancer cell invasion
Authors: Liang Lung-Yu , Geoghegan Niall D. , Mlodzianoski Michael , Leis Andrew , Whitehead Lachlan W. , Surudoi Minglyanna G. , Young Samuel N. , Janes Peter , Shepherd Doulin , Ghosal Debnath , Rogers Kelly L. , Murphy James M. , Lucet Isabelle S.
Published: April 2024

EphB6 is an understudied ephrin receptor tyrosine pseudokinase that is downregulated in multiple types of metastatic cancers. Unlike its kinase-active counterparts which autophosphorylate and transmit signals upon intercellular interaction, little is known about how EphB6 functions in the absence of intrinsic kinase activity. Here, we unveil a molecular mechanism of cell-cell interaction driven by EphB6. We identify ephrinB1 as a cognate ligand of EphB6 and show that in trans interaction of EphB6 with ephrinB1 on neighboring cells leads to the formation of large co-clusters at the plasma membrane. These co-clusters exhibit a decreased propensity towards endocytosis, suggesting a unique characteristic for this type of cell-cell interaction. Using lattice light-sheet microscopy, 3D structured illumination microscopy and cryo-electron tomography techniques, we show that co-clustering of EphB6 and ephrinB1 promotes the formation of double-membrane tubular structures between cells. Importantly, we also demonstrate that these intercellular structures stabilize cell–cell adhesion, leading to a reduction in the invasive behavior of cancer cells. Our findings rationalize a role for EphB6 pseudokinase as a tumor suppressor when interacting with its ligands in trans.
Restricted plant diversity limits carbon recapture after wildfire in warming boreal forests
Authors: Eckdahl Johan A. , Kristensen Jeppe A. , Metcalfe Daniel B.
Published: April 2024

Incomplete wildfire combustion in boreal forests leaves behind legacy plant-soil feedbacks known to restrict plant biodiversity. These restrictions can inhibit carbon recapture after fire by limiting ecosystem transition to vegetation growth patterns that are capable of offsetting warmth-enhanced soil decomposition under climate change. Here, we field-surveyed plant regrowth conditions 2 years after 49 separate, naturally-occurring wildfires spanning the near-entire climatic range of boreal Fennoscandia in order to determine the local to regional scale drivers of early vegetation recovery. Minimal conifer reestablishment was found across a broad range of fire severities, though residual organic soil and plant structure was associated with restricted growth of a variety of more warmth-adapted vegetation, such as broadleaf trees. This dual regeneration limitation coincided with greater concentrations of bacterial decomposers in the soil under increased mean annual temperature, potentially enhancing soil carbon release. These results suggest that large portions of the boreal region are currently at risk of extending postfire periods of net emissions of carbon to the atmosphere under limitations in plant biodiversity generated by wildfire and a changing climate.
Association of temporal discounting with transdiagnostic symptom dimensions
Authors: Keidel Kristof , Lu Xiaping , Suzuki Shinsuke , Murawski Carsten , Ettinger Ulrich
Published: April 2024

Temporal discounting (TD), the tendency to devalue future rewards as a function of delay until receipt, is aberrant in many mental disorders. Identifying symptom patterns and transdiagnostic dimensions associated with TD could elucidate mechanisms responsible for clinically impaired decision-making and facilitate identifying intervention targets. Here, we tested in a general population sample (N = 731) the extent to which TD was related to different symptom patterns and whether effects of time framing (dates/delay units) and monetary magnitude (large/small) had particularly strong effects in people scoring higher on specific symptom patterns. Analyses revealed that TD was related to symptom patterns loading on anxious-depression and inattention-impulsivity-overactivity dimensions. Moreover, TD was lower in the date than the delay version and with higher magnitudes, especially in people scoring higher on the inattention-impulsivity-overactivity dimension. Overall, this study provides evidence for TD as a transdiagnostic process across affective and impulsivity-related dimensions. Future studies should test framing interventions in clinical populations characterized by impulsivity.

Preregistration: This research was preregistered at https://osf.io/fg9sc.
Non-vesicular phosphatidylinositol transfer plays critical roles in defining organelle lipid composition
Authors: Kim Yeun Ju , Pemberton Joshua G , Eisenreichova Andrea , Mandal Amrita , Koukalova Alena , Rohilla Pooja , Sohn Mira , Konradi Andrei W , Tang Tracy T , Boura Evzen , Balla Tamas
Published: April 2024

Phosphatidylinositol (PI) is the precursor lipid for the minor phosphoinositides (PPIns), which are critical for multiple functions in all eukaryotic cells. It is poorly understood how phosphatidylinositol, which is synthesized in the ER, reaches those membranes where PPIns are formed. Here, we used VT01454, a recently identified inhibitor of class I PI transfer proteins (PITPs), to unravel their roles in lipid metabolism, and solved the structure of inhibitor-bound PITPNA to gain insight into the mode of inhibition. We found that class I PITPs not only distribute PI for PPIns production in various organelles such as the plasma membrane (PM) and late endosomes/lysosomes, but that their inhibition also significantly reduced the levels of phosphatidylserine, di- and triacylglycerols, and other lipids, and caused prominent increases in phosphatidic acid. While VT01454 did not inhibit Golgi PI4P formation nor reduce resting PM PI(4,5)P2 levels, the recovery of the PM pool of PI(4,5)P2 after receptor-mediated hydrolysis required both class I and class II PITPs. Overall, these studies show that class I PITPs differentially regulate phosphoinositide pools and affect the overall cellular lipid landscape.
Concepts in Physical Chemistry
Authors: Atkins Peter
Published: April 2024

Completely revised and updated for a second edition, this reference guide is an essential summary of the key concepts in physical chemistry that are likely to be encountered by undergraduate chemistry students. This book also serves as a useful reference for all who encounter physical chemical concepts in their professional activities or research. Written by a renowned textbook author and educator, this new edition of Concepts in Physical Chemistry is a convenient, easy-to-use, and authoritative reference; the chemical terms, ideas, and equations most frequently encountered in classroom or laboratory are clearly defined and explained.

In partnership with the Royal Society of Chemistry, the author, Peter Atkins, has agreed to Concepts in Physical Chemistry being made freely accessible in digital form at https://doi.org/10.1039/9781837674244 as a resource for the chemical community and next generation of chemists. It is also available for purchase in full eBook and print editions.
Removal of diclofenac sodium from water using a polyacrylonitrile mixed-matrix membrane embedded with MOF-808
Authors: Hu Xiao-Jing , Li Yu-Lin , Liu Hai-Xiong , Ying Shao-Ming , Yin Qi , Liu Tian-Fu
Published: April 2024

Based on the excellent diclofenac sodium (DCF) removal capacity of MOF-808, a free-standing mixed-matrix membrane composed of polyacrylonitrile and MOF-808 was fabricated and used to remove DCF from water via an easily accessible filtration method.
Kinetic and reactivity of gas-phase reaction of acyclic dienes with hydroxyl radical in the 273–318 K temperature range
Authors: Xue Chenyang , Xu Xinmiao , Lyu Han , Li Yunfeng , Ren Yangang , Wang Jinhe , Mu Yujing , Mellouki Abdelwahid , Yang Zongzheng
Published: April 2024

The relative position of two CC on the acyclic dienes could determine its reactivity. The number and type of alkyl group and the number of addition sites on diene could also strongly affect its reactivity toward OH radical.
Enhancement of the characteristics and HER activity of molybdenum carbide nanosheets for hydrogen evolution reaction
Authors: Iqbal Muhammad Faisal , Idrees Muhammad , Imran Muhammad , Razaq Aamir , Zhu Guanming , Zhang Jing , Muhammad Zahir , Zhang Meng
Published: April 2024

Hexagonal Mo2C-1200 nanosheets exhibited good physical characteristics, which promoted the HER activity. The Mo2C-1200 nanosheets revealed an overpotential of 139 mV, Tafel slope of 44 mV dec−1 and TOF of 304.10 ms−1 in 1 M KOH.
Highly fluorescent room temperature liquid crystalline S-annulated swallow tail perylene bisimide exhibiting enhanced electroluminescence (EQE > 11%)
Authors: Behera Paresh Kumar , Lenka Sushanta , Chen Feng-Rong , Gautam Prakalp , Siddiqui Iram , Rao D. S. Shankar , Jou Jwo-Huei , Achalkumar Ammathnadu Sudhakar
Published: April 2024

Highly fluorescent ambient mesogenic bay S-annulated swallow tail appended perylene bisimide with enhanced electroluminescence breaking the maximum EQE for fluorescent OLEDs in a host–guest configuration with CBP.
Advances in conductive hydrogels for neural recording and stimulation
Authors: Dawit Hewan , Zhao Yuewu , Wang Jine , Pei Renjun
Published: April 2024

Brain-computer interface (BCI) allows the human or animal brain to directly interact with the external environment through the neural interfaces, thus playing the role of monitoring, protecting, improving/restoring, enhancing, and replacing the human brain or body.
Manganese(i)-catalyzed nucleophilic addition of C(sp3)–H bonds to aldehydes
Authors: Liu Hongxin , Tang Tingyu , Li Bin , Wang Baiquan
Published: April 2024

Manganese(i)-catalyzed direct nucleophilic addition reaction of C(sp3)–H bonds to aromatic aldehydes has been developed. This is the first example of manganese(i)-catalyzed C(sp3)–H bond activation.
Evolution of fractal patterns in lead-free zero-dimensional perovskite Cs2InBr5(H2O)
Authors: Ge Wanyin , Yang Maohao , Saruyama Masaki , Matsumoto Kenshi , Sato Ryota , Takekuma Haruka , Takahata Ryo , Teranishi Toshiharu
Published: April 2024

The fractal patterns were obtained in lead-free zero-dimensional perovskite Cs2InBr5(H2O).
Correction: Quantum and semiclassical studies of nonadiabatic electronic transitions between N(4S) and N(2D) by collisions with N2
Authors: Lu Dandan , Galvão Breno R. L. , Varandas Antonio J. C. , Guo Hua
Published: April 2024

Correction for ‘Quantum and semiclassical studies of nonadiabatic electronic transitions between N(4S) and N(2D) by collisions with N2’ by Dandan Lu et al., Phys. Chem. Chem. Phys., 2023, 25, 15656–15665, https://doi.org/10.1039/D3CP01429K.
A brief review of characteristic luminescence properties of Eu3+ in mixed-anion compounds
Authors: Kitagawa Yuuki , Ueda Jumpei , Tanabe Setsuhisa
Published: April 2024

Mixed-anion coordination around Eu3+ ions affects the luminescence properties related to the 4f–4f and charge transfer transitions.
Color-tunable luminescence and temperature sensing properties of Bi3+/Sm3+ or Bi3+/Eu3+ codoped Ba2Gd2Ge4O13 phosphors
Authors: Lipina Olga A. , Chvanova Anastasia V. , Surat Ludmila L. , Baklanova Yana V. , Chufarov Alexander Yu. , Tyutyunnik Alexander P. , Zubkov Vladimir G.
Published: April 2024

A new series of Bi3+/Sm3+ and Bi3+/Eu3+ codoped Ba2Gd2Ge4O13 phosphors crystallizing in the monoclinic system (S.G. C2/c) have been prepared. The studied germanates are promising materials for non-contact temperature measurements.
Magnetic properties and magnetocaloric effect of Ln = Dy, Tb carborane-based metal–organic frameworks
Authors: Li Zhen , Arauzo Ana , Giner Planas José , Bartolomé Elena
Published: April 2024

We report the synthesis, structure and magneto-thermal properties of two isostructural carborane-based MOFs, {[(Ln)3(mCB-L)4(NO3)(DMF)n]·Solv} with Ln = Dy or Tb, characterized by combining dc and ac magnetometry, XAS-XMCD and heat capacity measurements.
Evolution of Mn–Bi2O3 from the Mn-doped Bi3O4Br electro(pre)catalyst during the oxygen evolution reaction
Authors: Kundu Avinava , Dhillon Ashish Kumar , Singh Ruchi , Barman Sanmitra , Siddhanta Soumik , Chakraborty Biswarup
Published: April 2024

Bi3O4Br appears to be nearly inactive for the alkaline oxygen evolution reaction while MnII doping into Bi3O4Br alters its electronic structure and makes it OER active. Mn–Bi2O3 evolves as the reactive species from the Mn–Bi3O4Br pre-catalyst.
Defect engineering of a TiO2 anatase/rutile homojunction accelerating sulfur redox kinetics for high-performance Na–S batteries
Authors: Xiao Yue , Zheng Yelei , Yao Ge , Zhang Yuhang , Li Zhiqiang , Liu Shoujie , Zheng Fangcai
Published: April 2024

Defect engineering is applied to construct rich oxygen vacancies at the interface of a TiO2 anatase/rutile homojunction (OV-TRA) to enhance the sulfur affinity and redox reaction kinetics of RT Na–S batteries.
Porous layered ZnV2O4@C synthesized based on a bimetallic MOF as a stable cathode material for aqueous zinc ion batteries
Authors: Dai Bingbing , Shen Xixun , Chen Tiantian , Li Jian , Xu Qunjie
Published: April 2024

The spinel type vanadium-based oxide ZnV2O4@C derived from metal–organic frameworks exhibits excellent electrochemical properties.
Carbon dot-embedded hydrogels promote maize germination and growth under drought stress
Authors: Ren Yuying , Li Xiaona , Cheng Bingxu , Yue Le , Cao Xuesong , Wang Chuanxi , Wang Zhenyu
Published: April 2024

Tannic acid derived carbon dot (TACD)-embedded gelatin hydrogels (GTACDs) were formed by hydrogen bonding and electrostatic interactions, which as seed coating were applied to drought soil to enhance crop drought resistance and growth.
Enhancement of essential cofactors for in vivo biocatalysis
Authors: Intasian Pattarawan , Sutthaphirom Chalermroj , Bodeit Oliver , Trisrivirat Duangthip , Kimprasoot Ninlapan , Jaroensuk Juthamas , Bakker Barbara , Klipp Edda , Chaiyen Pimchai
Published: April 2024

Boosting the biosynthesis of essential cofactors by addition of xylose reductase and lactose to enhance product synthesis using synthetic biology.
Towards efficient quantum computing for quantum chemistry: reducing circuit complexity with transcorrelated and adaptive ansatz techniques
Authors: Magnusson Erika , Fitzpatrick Aaron , Knecht Stefan , Rahm Martin , Dobrautz Werner
Published: April 2024

Combining the transcorrelated method with adaptive quantum ansätze in the context of variational quantum imaginary time evolution significantly reduces the necessary circuit depth and width for performing accurate quantum chemistry using quantum computers.
Quantum embedding for molecules using auxiliary particles – the ghost Gutzwiller Ansatz
Authors: Mejuto-Zaera Carlos
Published: April 2024

In this work, we extend the ghost Gutzwiller (gGut) framework to strongly correlated molecules, for which it holds special promise.
Visible light-induced FeCl3-catalyzed chlorination of C–H bonds with MgCl2
Authors: Huang Jing , Liu Yidong , Tian Xia , Ni Shao-Fei , Li Shen , Zhang Zhan-Hui , Li Dong , Liu Shouxin
Published: April 2024

Visible light-promoted C(sp3)–H bond chlorination with MgCl2 as a chlorine source in AcOH/CH3CN in the presence of FeCl3 is reported.