bluuebunny/crossref_metadata_2025 huggingface dataset:
An integrated atom array-nanophotonic chip platform with background-free imaging
Authors: Menon Shankar G. , Glachman Noah , Pompili Matteo , Dibos Alan , Bernien Hannes
Published: July 2024

Arrays of neutral atoms trapped in optical tweezers have emerged as a leading platform for quantum information processing and quantum simulation due to their scalability, reconfigurable connectivity, and high-fidelity operations. Individual atoms are promising candidates for quantum networking due to their capability to emit indistinguishable photons that are entangled with their internal atomic states. Integrating atom arrays with photonic interfaces would enable distributed architectures in which nodes hosting many processing qubits could be efficiently linked together via the distribution of remote entanglement. However, many atom array techniques cease to work in close proximity to photonic interfaces, with atom detection via standard fluorescence imaging presenting a major challenge due to scattering from nearby photonic devices. Here, we demonstrate an architecture that combines atom arrays with up to 64 optical tweezers and a millimeter-scale photonic chip hosting more than 100 nanophotonic cavities. We achieve high-fidelity ( ~ 99.2%), background-free imaging in close proximity to nanofabricated cavities using a multichromatic excitation and detection scheme. The atoms can be imaged while trapped a few hundred nanometers above the dielectric surface, which we verify using Stark shift measurements of the modified trapping potential. Finally, we rearrange atoms into defect-free arrays and load them simultaneously onto the same or multiple devices.
Influence of Nb/V on the corrosion behavior of high-strength anti-seismic rebar in marine environments
Authors: Zeng Zeyun , Gu Shangjun , Wang Jie , Wei Fulong , Li Zhiying , Yang Hui , Li Changrong
Published: July 2024

In this study, the immersion test, surface analysis, cross-section analysis, quantitative analysis and electrochemical analysis were used to study the influence of Nb/V on the corrosion behavior of high-strength anti-seismic rebar in marine environments. The corrosion results clarified that the addition of Nb/V improved the corrosion resistance of the rebar, thereby reducing the corrosion rate of the rebar and improving the stability of corrosion layers. Firstly, the addition of Nb/V promoted the transformation of unstable Fe oxyhydroxides to stable Fe oxyhydroxides in the surface corrosion layers of the rebar, thus increasing the α/(β + γ) ratio, corrosion potential and total impedance value. Secondly, the addition of Nb/V induced the formation of Nb oxides and V oxides in the surface corrosion layers of the rebar, and the existence of these oxides repaired the surface defects of corrosion layers, thus enhancing the corrosion resistance performance of surface corrosion layers of the rebar.
Magnetic-field-driven targeting of exosomes modulates immune and metabolic changes in dystrophic muscle
Authors: Villa Chiara , Secchi Valeria , Macchi Mirco , Tripodi Luana , Trombetta Elena , Zambroni Desiree , Padelli Francesco , Mauri Michele , Molinaro Monica , Oddone Rebecca , Farini Andrea , De Palma Antonella , Varela Pinzon Laura , Santarelli Federica , Simonutti Roberto , Mauri PierLuigi , Porretti Laura , Campione Marcello , Aquino Domenico , Monguzzi Angelo , Torrente Yvan
Published: July 2024

Exosomes are promising therapeutics for tissue repair and regeneration to induce and guide appropriate immune responses in dystrophic pathologies. However, manipulating exosomes to control their biodistribution and targeting them in vivo to achieve adequate therapeutic benefits still poses a major challenge. Here we overcome this limitation by developing an externally controlled delivery system for primed annexin A1 myo-exosomes (Exomyo). Effective nanocarriers are realized by immobilizing the Exomyo onto ferromagnetic nanotubes to achieve controlled delivery and localization of Exomyo to skeletal muscles by systemic injection using an external magnetic field. Quantitative muscle-level analyses revealed that macrophages dominate the uptake of Exomyo from these ferromagnetic nanotubes in vivo to synergistically promote beneficial muscle responses in a murine animal model of Duchenne muscular dystrophy. Our findings provide insights into the development of exosome-based therapies for muscle diseases and, in general, highlight the formulation of effective functional nanocarriers aimed at optimizing exosome biodistribution.
Contextual AI models for single-cell protein biology
Authors: Li Michelle M. , Huang Yepeng , Sumathipala Marissa , Liang Man Qing , Valdeolivas Alberto , Ananthakrishnan Ashwin N. , Liao Katherine , Marbach Daniel , Zitnik Marinka
Published: July 2024

Understanding protein function and developing molecular therapies require deciphering the cell types in which proteins act as well as the interactions between proteins. However, modeling protein interactions across biological contexts remains challenging for existing algorithms. Here we introduce PINNACLE, a geometric deep learning approach that generates context-aware protein representations. Leveraging a multiorgan single-cell atlas,PINNACLElearns on contextualized protein interaction networks to produce 394,760 protein representations from 156 cell type contexts across 24 tissues.PINNACLE’s embedding space reflects cellular and tissue organization, enabling zero-shot retrieval of the tissue hierarchy. Pretrained protein representations can be adapted for downstream tasks: enhancing 3D structure-based representations for resolving immuno-oncological protein interactions, and investigating drugs’ effects across cell types.PINNACLEoutperforms state-of-the-art models in nominating therapeutic targets for rheumatoid arthritis and inflammatory bowel diseases and pinpoints cell type contexts with higher predictive capability than context-free models.PINNACLE’s ability to adjust its outputs on the basis of the context in which it operates paves the way for large-scale context-specific predictions in biology.
BNP-Track: a framework for superresolved tracking
Authors: Sgouralis Ioannis , Xu Lance W. Q. , Jalihal Ameya P. , Kilic Zeliha , Walter Nils G. , Pressé Steve
Published: July 2024

Superresolution tools, such as PALM and STORM, provide nanoscale localization accuracy by relying on rare photophysical events, limiting these methods to static samples. By contrast, here, we extend superresolution to dynamics without relying on photodynamics by simultaneously determining emitter numbers and their tracks (localization and linking) with the same localization accuracy per frame as widefield superresolution on immobilized emitters under similar imaging conditions (≈50 nm). We demonstrate our Bayesian nonparametric track (BNP-Track) framework on both in cellulo and synthetic data. BNP-Track develops a joint (posterior) distribution that learns and quantifies uncertainty over emitter numbers and their associated tracks propagated from shot noise, camera artifacts, pixelation, background and out-of-focus motion. In doing so, we integrate spatiotemporal information into our distribution, which is otherwise compromised by modularly determining emitter numbers and localizing and linking emitter positions across frames. For this reason, BNP-Track remains accurate in crowding regimens beyond those accessible to other single-particle tracking tools.
Structural and mechanistic insights into Streptococcus pneumoniae NADPH oxidase
Authors: Dubach Victor R. A. , San Segundo-Acosta Pablo , Murphy Bonnie J.
Published: July 2024

Nicotinamide adenine dinucleotide phosphate (NADPH) oxidases (NOXs) have a major role in the physiology of eukaryotic cells by mediating reactive oxygen species production. Evolutionarily distant proteins with the NOX catalytic core have been found in bacteria, including Streptococcus pneumoniae NOX (SpNOX), which is proposed as a model for studying NOXs because of its high activity and stability in detergent micelles. We present here cryo-electron microscopy structures of substrate-free and nicotinamide adenine dinucleotide (NADH)-bound SpNOX and of NADPH-bound wild-type and F397A SpNOX under turnover conditions. These high-resolution structures provide insights into the electron-transfer pathway and reveal a hydride-transfer mechanism regulated by the displacement of F397. We conducted structure-guided mutagenesis and biochemical analyses that explain the absence of substrate specificity toward NADPH and suggest the mechanism behind constitutive activity. Our study presents the structural basis underlying SpNOX enzymatic activity and sheds light on its potential in vivo function.
Chromosome-level genome assembly and sex chromosome identification of the pink stem borer, Sesamia inferens (Lepidoptera: Noctuidae)
Authors: Yu Xiao-Rui , Chen Xu , Bai Qing-Rong , Mu Ming-Yue , Tang Liang-De , Smagghe Guy , Zang Lian-Sheng
Published: July 2024

The pink stem borer, Sesamia inferens Walker (Lepidoptera: Noctuidae), is one of the most notorious pest insects of rice and maize crops in the world. Here, we generated a high-quality chromosome-level genome assembly of S. inferens, using a combination of Illumina, PacBio HiFi and Hi-C technologies. The total assembly size was 973.18 Mb with a contig N50 of 33.39 Mb, anchored to 31 chromosomes, revealing a karyotype of 30 + Z. The BUSCO analysis indicated a high completeness of 98.90% (n = 5286), including 5172 (97.8%) single-copy BUSCOs and 58 (1.1%) duplicated BUSCOs. The genome contains 58.59% (564.58 Mb) repeat elements and 26628 predicted protein-coding genes. The chromosome-level genome assembly of S. inferens provides in-depth knowledge and will be a helpful resource for the Lepidoptera and pest control research communities.
A two-tier feature selection method for predicting mortality risk in ICU patients with acute kidney injury
Authors: Liu Mengqing , Fan Zhiping , Gao Yu , Mubonanyikuzo Vivens , Wu Ruiqian , Li Wenjin , Xu Naiyue , Liu Kun , Zhou Liang
Published: July 2024

Acute kidney injury (AKI) is one of the most important lethal factors for patients admitted to intensive care units (ICUs), and timely high-risk prognostic assessment and intervention are essential to improving patient prognosis. In this study, a stacking model using the MIMIC-III dataset with a two-tier feature selection approach was developed to predict the risk of in-hospital mortality in ICU patients admitted for AKI. External validation was performed using separate MIMIC-IV and eICU-CRD. The area under the curve (AUC) was calculated using the stacking model, and features were selected using the Boruta and XGBoost feature selection methods. This study compares the performance of a stacking model using two-tier feature selection with a model using single-tier feature selection (XGBoost: 85; Boruta: 83; two-tier: 0.91). The predictive effectiveness of the stacking model was further validated by using different datasets (Validation 1: 0.83; Validation 2: 0.85) and comparing it with a simpler model and traditional clinical scores (SOFA: 0.65; APACH IV: 0.61). In addition, this study combined interpretable techniques and causal inference to analyze the causal relationship between features and predicted outcomes.
Prospective multicenter study to identify optimal target population for motorized spiral enteroscopy
Authors: Giordano Antonio , Compañy Luis , Alajarin-Cervera Miriam , Ruiz-Gómez Francisco Antonio , Fernández-Gil Pedro Luis , Alonso-Lázaro Noelia , Sola-Vera Javier , Urpi-Ferreruela Miguel , Aicart-Ramos Marta , Parejo-Carbonell Sofía , Dedeu-Cuscó Josep Maria , Prieto-Frías César , Bógalo-Romero Cintia , Egea-Valenzuela Juan , Carretero Cristina , Pons-Beltrán Vicente , González-Suárez Begoña
Published: July 2024

Motorized spiral enteroscopy (MSE) enhances small bowel exploration, but the optimal target population for this technique is unknown. We aimed to identify the target population for MSE by evaluating its efficacy and safety, as well as detecting predictors of efficacy. A prospective multicenter observational study was conducted at 9 tertiary hospitals in Spain, enrolling patients between June 2020–2022. Analyzed data included demographics, indications for the procedure, exploration time, depth of maximum insertion (DMI), technical success, diagnostic yield, interventional yield, and adverse events (AE) up to 14 days from enteroscopy. Patients with prior gastrointestinal surgery, unsuccessful balloon enteroscopy and small bowel strictures were analyzed. A total of 326 enteroscopies (66.6% oral route) were performed in 294 patients (55.1% males, 65 years ± 21). Prior abdominal surgery was present in 50% of procedures (13.5% gastrointestinal surgery). Lower DMI (162 vs 275 cm, p = 0.037) and diagnostic yield (47.7 vs 67.5%, p = 0.016) were observed in patients with prior gastrointestinal surgery. MSE showed 92.2% technical success and 56.9% diagnostic yield after unsuccessful balloon enteroscopy (n = 51). In suspected small bowel strictures (n = 49), the finding was confirmed in 23 procedures (46.9%). The total AE rate was 10.7% (1.8% classified as major events) with no differences related to prior gastrointestinal/abdominal surgery, unsuccessful enteroscopy, or suspected small bowel strictures. The study demonstrates that MSE has a lower diagnostic yield and DMI in patients with prior gastrointestinal surgery but is feasible after unsuccessful balloon-enteroscopy and in suspected small bowel strictures without safety concerns.
Accounting for deep soil carbon in tropical forest conservation payments
Authors: Sundqvist Maja K. , Hasselquist Niles J. , Jensen Joel , Runesson Josefin , Goodman Rosa C. , Axelsson E. Petter , Alloysius David , Lindh Arvid , Ilstedt Ulrik , Aguilar Francisco X.
Published: July 2024

Secondary tropical forests are at the forefront of deforestation pressures. They store large amounts of carbon, which, if compensated for to avoid net emissions associated with conversion to non-forest uses, may help advance tropical forest conservation. We measured above- and below-ground carbon stocks down to 1 m soil depth across a secondary forest and in oil palm plantations in Malaysia. We calculated net carbon losses when converting secondary forests to oil palm plantations and estimated payments to avoid net emissions arising from land conversion to a 22-year oil palm rotation, based on land opportunity costs per hectare. We explored how estimates would vary between forests by also extracting carbon stock data for primary forest from the literature. When tree and soil carbon was accounted for, payments of US$18–51 tCO2–1 for secondary forests and US$14–40 tCO2–1 for primary forest would equal opportunity costs associated with oil palm plantations per hectare. If detailed assessments of soil carbon were not accounted for, payments to offset opportunity costs would need to be considerably higher for secondary forests (US$28–80 tCO2–1). These results show that assessment of carbon stocks down to 1 m soil depth in tropical forests can substantially influence the estimated value of avoided-emission payments.
A novel high-throughput qPCR chip for solving co-infections in RAS farmed rainbow trout
Authors: Sørensen Juliane , Cuenca Argelia , Schmidt Jacob Günther , Madsen Simon Brøndgaard , Iburg Tine Moesgaard , Madsen Lone , Vendramin Niccoló
Published: July 2024

Recirculating aquaculture systems (RAS) have become more attractive due to reduced water consumption and effluent discharge. However, intensification of production increases the risk of introducing pathogens at farming sites. The emergence of uncultivable pathogens and RAS pathobiome diversity shifts the traditional disease paradigm from “one pathogen, one disease” to complex multiple-pathogen disease cases. Piscine orthoreovirus genotype 3 (PRV-3) is an excellent example, as it is capable of inducing anemia and heart pathology resembling heart and skeletal muscle inflammation under experimental conditions, and is associated with increased mortality in association with other pathogens in the field. The aim of this study was to develop a method for detection of multiple pathogens and putative pathogens, as co-infections are common in aquaculture. To do this, in the pilot study, we mapped the pathobiome of RAS-farmed rainbow trout (Oncorhynchus mykiss) (commercial RAS, farm A) using both standard diagnostic methods and metabarcording (16S rRNA) to investigate the gill microbiome. During this study, we observed infections with multiple pathogens, and detected two putative gill pathogens Candidatus Branchiomonas cysticola and Candidatus Piscichlamydia salmonis, both of which have been linked with complex gill disease in Atlantic salmon (Salmo salar). Based on the pilot study, we developed and tested a high throughput qPCR (HT-qPCR) chip targeting 22 viral and bacterial pathogens and putative pathogens, followed by a surveillance of a fish cohort in a commercial RAS farm during production (farm B). Co-infection with PRV-3 and Ca. B. cysticola combined with stress inducing management practices may explain the severe disease outbreak observed (37% mortality). The time course study sets the base for a future screening scheme for disease prediction and addresses limitations of the method when testing environmental DNA/RNA.
Classification of LAMOST spectra of B-type and hot subdwarf stars using kernel support vector machine
Authors: Tahir Muhammad , Yude Bu , Mehmood Tahir , Bashir Saima , Zhenping Yi , Awais Muhammad
Published: July 2024

Machine learning has emerged as a leading field in artificial intelligence, demonstrating expert-level performance in various domains. Astronomy has benefited from machine learning techniques, particularly in classifying and identifying stars based on their features. This study focuses on the spectra-based classification of 11,408 B-type and 2422 hot subdwarf stars. The study employs baseline correction using Asymmetric Least Squares (ALS) to enhance classification accuracy. It applies the Pan-Core concept to identify 500 unique patterns or ranges for both types of stars. These patterns are the foundation for creating Support Vector Machine (SVM) models, including the linear (L-SVM), polynomial (P-SVM), and radial basis (R-SVM) kernels. Parameter tuning for the SVM models is achieved through cross-validation. Evaluation of the SVM models on test data reveals that the linear kernel SVM achieves the highest accuracy (87.0%), surpassing the polynomial kernel SVM (84.1%) and radial kernel SVM (80.1%). The average calibrated accuracy falls within the range of 90–95%. These results demonstrate the potential of using spectrum-based classification to aid astronomers in improving and expanding their understanding of stars, with a specific focus on the identification of hot subdwarf stars. This study presents a valuable investigation for astronomers, as it enables the classification of stars based on their spectra, leveraging machine learning techniques to enhance their knowledge and insights in astronomy.
Network resonance and the auditory steady state response
Authors: Johnson Teryn D. , Gallagher Austin J. , Coulson Seana , Rangel Lara M.
Published: July 2024

The auditory steady state response (ASSR) arises when periodic sounds evoke stable responses in auditory networks that reflect the acoustic characteristics of the stimuli, such as the amplitude of the sound envelope. Larger for some stimulus rates than others, the ASSR in the human electroencephalogram (EEG) is notably maximal for sounds modulated in amplitude at 40 Hz. To investigate the local circuit underpinnings of the large ASSR to 40 Hz amplitude-modulated (AM) sounds, we acquired skull EEG and local field potential (LFP) recordings from primary auditory cortex (A1) in the rat during the presentation of 20, 30, 40, 50, and 80 Hz AM tones. 40 Hz AM tones elicited the largest ASSR from the EEG acquired above auditory cortex and the LFP acquired from each cortical layer in A1. The large ASSR in the EEG to 40 Hz AM tones was not due to larger instantaneous amplitude of the signals or to greater phase alignment of the LFP across the cortical layers. Instead, it resulted from decreased latency variability (or enhanced temporal consistency) of the 40 Hz response. Statistical models indicate the EEG signal was best predicted by LFPs in either the most superficial or deep cortical layers, suggesting deep layer coordinators of the ASSR. Overall, our results indicate that the recruitment of non-uniform but more temporally consistent responses across A1 layers underlie the larger ASSR to amplitude-modulated tones at 40 Hz.
Solving the resource constrained project scheduling problem with quantum annealing
Authors: Pérez Armas Luis Fernando , Creemers Stefan , Deleplanque Samuel
Published: July 2024

Quantum annealing emerges as a promising approach for tackling complex scheduling problems such as the resource-constrained project scheduling problem (RCPSP). This study represents the first application of quantum annealing to solve the RCPSP, analyzing 12 well-known mixed integer linear programming (MILP) formulations and converting the most qubit-efficient one into a quadratic unconstrained binary optimization (QUBO) model. We then solve this model using the D-wave advantage 6.3 quantum annealer, comparing its performance against classical computer solvers. Our results indicate significant potential, particularly for small to medium-sized instances. Further, we introduce time-to-target and Atos Q-score metrics to evaluate the effectiveness of quantum annealing and reverse quantum annealing. The paper also explores advanced quantum optimization techniques, such as customized anneal schedules, enhancing our understanding and application of quantum computing in operations research.
Combined effects of micropollutants and their degradation on prokaryotic communities at the sediment–water interface
Authors: Borreca Adrien , Vuilleumier Stéphane , Imfeld Gwenaël
Published: July 2024

Pesticides and pharmaceuticals enter aquatic ecosystems as complex mixtures. Various processes govern their dissipation and effect on the sediment and surface waters. These micropollutants often show persistence and can adversely affect microorganisms even at low concentrations. We investigated the dissipation and effects on procaryotic communities of metformin (antidiabetic drug), metolachlor (agricultural herbicide), and terbutryn (herbicide in building materials). These contaminants were introduced individually or as a mixture (17.6 µM per micropollutant) into laboratory microcosms mimicking the sediment–water interface. Metformin and metolachlor completely dissipated within 70 days, whereas terbutryn persisted. Dissipation did not differ whether the micropollutants were introduced individually or as part of a mixture. Sequence analysis of 16S rRNA gene amplicons evidenced distinct responses of prokaryotic communities in both sediment and water. Prokaryotic community variations were mainly driven by matrix composition and incubation time. Micropollutant exposure played a secondary but influential role, with pronounced effects of recalcitrant metolachlor and terbutryn within the micropollutant mixture. Antagonistic and synergistic non-additive effects were identified for specific taxa across taxonomic levels in response to the micropollutant mixture. This study underscores the importance of considering the diversity of interactions between micropollutants, prokaryotic communities, and their respective environments when examining sediment–water interfaces affected by multiple contaminants.
Drug exposure and risk factors of maculopathy in tamoxifen users
Authors: Kwon Hyeon Yoon , Kim Jiyeong , Ahn Seong Joon
Published: July 2024

Tamoxifen, a pivotal therapy for hormone receptor-positive breast cancer, is known for its efficacy in reducing breast cancer recurrence and mortality. However, concerns about potential ocular complications, particularly maculopathy, have emerged. This study aims to investigate the risk and associated factors of diverse macular conditions in tamoxifen users, considering drug exposure, demographics, and systemic diseases. A nationwide cohort of tamoxifen users, comprised of 14,267 tamoxifen users, was analyzed using the health insurance review and assessment database in South Korea. Demographic and clinical characteristics were examined, and the cumulative incidence of macular diseases was stratified by age and cumulative tamoxifen dosage. We conducted logistic regression analysis to identify potential risk factors among clinical variables such as age, sex, indications for tamoxifen use, and systemic diseases associated with various macular conditions. Additionally, Cox proportional hazard models were used to determine the baseline clinical characteristics predictive of these macular conditions, with subsequent calculation of hazard ratios. Cumulative incidences of overall macular diseases, other maculopathy excluding common macular diseases, and macular edema were 26.4, 11.4, and 6.5%, respectively. The incidence of various macular conditions increased with age and the cumulative tamoxifen dose. Age, cumulative dose group, and liver diseases demonstrated significant associations with overall macular diseases and maculopathy excluding common macular diseases in multivariate logistic regression analyses (all P < 0.05). Furthermore, age emerged as significant predictive factors of maculopathy in Cox proportional hazard models. Tamoxifen-induced maculopathy poses a concern for prescribing physicians and ophthalmologists, and this study provides valuable insights into its risk and risk factors. This study may contribute to evidence-based guidelines for tamoxifen maculopathy screening, emphasizing the importance of considering age, cumulative dose, and liver diseases for recommendation on screening timing and frequency.
Enhancing handwritten text recognition accuracy with gated mechanisms
Authors: Chinthaginjala Ravikumar , Dhanamjayulu C. , Kim Tai-hoon , Ahmed Suhaib , Kim Si-Yeong , Kumar A. S. , Annepu Visalakshi , Ahmad Shafiq
Published: July 2024

Handwritten Text Recognition (HTR) is a challenging task due to the complex structures and variations present in handwritten text. In recent years, the application of gated mechanisms, such as Long Short-Term Memory (LSTM) networks, has brought significant advancements to HTR systems. This paper presents an overview of HTR using a gated mechanism and highlights its novelty and advantages. The gated mechanism enables the model to capture long-term dependencies, retain relevant context, handle variable length sequences, mitigate error propagation, and adapt to contextual variations. The pipeline involves preprocessing the handwritten text images, extracting features, modeling the sequential dependencies using the gated mechanism, and decoding the output into readable text. The training process utilizes annotated datasets and optimization techniques to minimize transcription discrepancies. HTR using a gated mechanism has found applications in digitizing historical documents, automatic form processing, and real-time transcription. The results show improved accuracy and robustness compared to traditional HTR approaches. The advancements in HTR using a gated mechanism open up new possibilities for effectively recognizing and transcribing handwritten text in various domains. This research does a better job than the most recent iteration of the HTR system when compared to five different handwritten datasets (Washington, Saint Gall, RIMES, Bentham and IAM). Smartphones and robots are examples of low-cost computing devices that can benefit from this research.
Salinity gradient induced blue energy generation using two-dimensional membranes
Authors: Manikandan D. , Karishma S. , Kumar Mukesh , Nayak Pramoda K.
Published: July 2024

Salinity gradient energy (SGE), known as blue energy is harvested from mixing seawater with river water in a controlled way using ion exchange membranes (IEMs). Using 2D materials as IEMs improves the output power density from a few Wm−2 to a few thousands of Wm−2 over conventional membranes. In this review, we survey the efforts taken to employ the different 2D materials as nanoporous or lamellar membranes for SGE and provide a comprehensive analysis of the fundamental principles behind the SGE. Overall, this review is anticipated to explain how the 2D materials can make SGE a viable source of energy.
Orchestrating explainable artificial intelligence for multimodal and longitudinal data in medical imaging
Authors: Pahud de Mortanges Aurélie , Luo Haozhe , Shu Shelley Zixin , Kamath Amith , Suter Yannick , Shelan Mohamed , Pöllinger Alexander , Reyes Mauricio
Published: July 2024

Explainable artificial intelligence (XAI) has experienced a vast increase in recognition over the last few years. While the technical developments are manifold, less focus has been placed on the clinical applicability and usability of systems. Moreover, not much attention has been given to XAI systems that can handle multimodal and longitudinal data, which we postulate are important features in many clinical workflows. In this study, we review, from a clinical perspective, the current state of XAI for multimodal and longitudinal datasets and highlight the challenges thereof. Additionally, we propose the XAI orchestrator, an instance that aims to help clinicians with the synopsis of multimodal and longitudinal data, the resulting AI predictions, and the corresponding explainability output. We propose several desirable properties of the XAI orchestrator, such as being adaptive, hierarchical, interactive, and uncertainty-aware.
Longitudinal associations of an exposome score with serum metabolites from childhood to adolescence
Authors: Healy Darren R. , Zarei Iman , Mikkonen Santtu , Soininen Sonja , Viitasalo Anna , Haapala Eero A. , Auriola Seppo , Hanhineva Kati , Kolehmainen Marjukka , Lakka Timo A.
Published: July 2024

Environmental and lifestyle factors, including air pollution, impaired diet, and low physical activity, have been associated with cardiometabolic risk factors in childhood and adolescence. However, environmental and lifestyle exposures do not exert their physiological effects in isolation. This study investigated associations between an exposome score to measure the impact of multiple exposures, including diet, physical activity, sleep duration, air pollution, and socioeconomic status, and serum metabolites measured using LC-MS and NMR, compared to the individual components of the score. A general population of 504 children aged 6–9 years at baseline was followed up for eight years. Data were analysed with linear mixed-effects models using the R software. The exposome score was associated with 31 metabolites, of which 12 metabolites were not associated with any individual exposure category. These findings highlight the value of a composite score to predict metabolic changes associated with multiple environmental and lifestyle exposures since childhood.
Hybridization between Aedes aegypti and Aedes mascarensis mosquitoes leads to disruption of male sex determination
Authors: Liang Jiangtao , Kang Lin , Michalak Pawel , Sharakhov Igor V.
Published: July 2024

Understanding the sex determination pathway and its disruptions in mosquitoes is critical for the effective control of disease vectors through genetic manipulations based on sex separation. When male hybrids of Aedes aegypti females and Ae. mascarensis males are backcrossed to Ae. aegypti females, a portion of the backcross progeny manifests as males with abnormal sexual differentiation. We discovered a significant correlation between pupal abnormalities and the feminization of subsequent adults exemplified by the relative abundance of ovarian and testicular tissues. All intersex individuals were genetic males as they expressed a male determining factor, Nix. Further, our analysis of the sex-specific splicing of doublesex and fruitless transcripts demonstrated the presence of both male and female splice variants indicating that sex determination is disrupted. A comparative transcriptomic analysis revealed similar expression levels of most female-associated genes in reproductive organs and carcasses between intersexual males and normal females. Moreover, intersexes had largely normal gene expression in testes but significant gene downregulation in male accessory glands when compared with normal males. We conclude that evolving hybrid incompatibilities between Ae. aegypti and Ae. mascarensis involve disruption of sex determination and are accompanied by changes in gene expression associated with sexual differentiation.
Modest forest and welfare gains from initiatives for reduced emissions from deforestation and forest degradation
Authors: Wunder Sven , Schulz Dario , Montoya-Zumaeta Javier G. , Börner Jan , Ponzoni Frey Gabriel , Betancur-Corredor Bibiana
Published: July 2024

Reduced emissions from deforestation and forest degradation (REDD+) projects and programmes promise to deliver performance-based, cost-effective climate change mitigation. Fifteen years after its conception, we analysed the rigorous counterfactual-based evidence for environmental and welfare effects from such national and subnational initiatives, along with a Theory of Change. Using machine-learning tools for literature review, we compared 32 quantitative studies including 26 primary forest-related and 12 socioeconomic effect sizes. Average environmental impacts were positively significant yet moderately sized, comparable to impacts from other conservation tools, and mostly impermanent over time. Socioeconomic impacts were welfare-neutral to slightly positive. Moderator analysis showed that environmental additionality was likely restricted by project proponents’ adverse spatial targeting of low-threat areas. Scarce funding flows from carbon markets and ill-enforced conditionality probably also limited impacts. Hence, important policy and implementation lessons emerge for boosting effectiveness in the current global transition towards larger-scale, jurisdictional action.
Coordinating limbs and spine: (Pareto-)optimal locomotion in theory, in vivo, and in robots
Authors: Rockenfeller Robert , Cieri Robert L. , Schultz Johanna T. , Maag Robin , Clemente Christofer J.
Published: July 2024

Among vertebrates, patterns of movement vary considerably, from the lateral spine-based movements of fish and salamanders to the predominantly limb-based movements of mammals. Yet, we know little about why these changes may have occurred in the course of evolution. Lizards form an interesting intermediate group where locomotion appears to be driven by both motion of their limbs and lateral spinal undulation. To understand the evolution and relative advantages of limb versus spine locomotion, we developed an empirically informed mathematical model as well as a robotic model and compared in silico predictions to in-vivo data from running and climbing lizards. Our mathematical model showed that, if limbs were allowed to grow to long lengths, movements of the spine did not enable longer strides, since spinal movements reduced the achievable range of motion of the limbs before collision. Yet, in-vivo data show lateral spine movement is widespread among a diverse group of lizards moving on level ground or climbing up and down surfaces. Our climbing robotic model was able to explain this disparity, showing that increased movement of the spine was energetically favourable, being associated with a reduced cost of transport. Our robot model also revealed that stability, as another performance criterion, decreased with increased spine and limb range of motion—detailing the trade-off between speed and stability. Overall, our robotic model found a Pareto-optimal set of strides—when considering speed, efficiency, and stability—requiring both spine and limb movement, which closely agreed with movement patterns among lizards. Thus we demonstrate how robotic models, in combination with theoretical considerations, can reveal fundamental insights into the evolution of movement strategies among a broad range of taxa.
Finishing the odyssey to a stem cell cure for type 1 diabetes
Authors: Hunault Lise , Hesselson Daniel
Published: July 2024

For over two decades pluripotent stem cells have promised a renewable source of β cells to treat patients with type 1 diabetes. Major efforts to optimize the differentiation, survival, and function of transplanted stem cell-derived tissue have recently delivered clinically meaningful metabolic benefits using a perforated encapsulation device that promotes integration with recipient vasculature under the protection of systemic immunosuppression. Despite this success, the journey is not over as a universal cure will require a larger β cell mass. Here, we summarize recent interdisciplinary advances that could maximize the functional β cell mass within transplanted devices and provide an immune privileged niche that could eliminate the need for systemic immunosuppression.
Simultaneous determination of 18 steroids in the hypothalamic pituitary gonadal axis based on UPLC-MS/MS with multimode ionization
Authors: Zhang Yinan , Wang Guanghui , Shao Yongjian , Zheng Pei , Guo Chunyan , Liu Zhiqun , Shen Lilai , Liu Zhiquan , Ding Jiafeng , Zhang Hangjun
Published: July 2024

A simple and sensitive UPLC-MS/MS method for the simultaneous determination of 18 steroid hormones on the HPG axis was developed to quantify changes in steroid hormones in organisms caused by adverse environmental loads.
Correction: Identification, isolation, structural characterisation, synthesis and in silico toxicity prediction of the alkaline hydrolytic degradation product of brivaracetam by using LC-PDA, preparative HPLC, LC/HESI/LTQ, FTIR, and 1H NMR
Authors: Bhamare Pankaj , Umadoss P. , Upmanyu Neeraj , Dubey Rupal
Published: July 2024

Correction for ‘Identification, isolation, structural characterisation, synthesis and in silico toxicity prediction of the alkaline hydrolytic degradation product of brivaracetam by using LC-PDA, preparative HPLC, LC/HESI/LTQ, FTIR, and 1H NMR’ by Pankaj Bhamare et al., Anal. Methods, 2020, 12, 1868–1881, https://doi.org/10.1039/C9AY02582K.
Correction: Research on online monitoring of aircraft skin laser paint removal thickness using standard curve method and PCA-SVR based on LIBS
Authors: Yang Wenfeng , Li Guo , Qian Ziran , Cao Yu , Lin Dehui , Li Shaolong , Zheng Xin , Zhu Dehua , Xie Minyue , Yang Yikai
Published: July 2024

Correction for ‘Research on online monitoring of aircraft skin laser paint removal thickness using standard curve method and PCA-SVR based on LIBS’ by Wenfeng Yang et al., Anal. Methods, 2024, https://doi.org/10.1039/D4AY00872C.
Iron homo- and heterobimetallic complexes supported by a symmetrical dinucleating ligand
Authors: Ríos Pablo , See Matthew S. , Gonzalez Oscar , Handford Rex C. , Nicolay Amélie , Rao Guodong , Britt R. David , Bediako D. Kwabena , Tilley T. Don
Published: July 2024

The synthesis of Fe/Mn complexes able to model enzymes possessing related cofactors are still a challenge. Herein, we discuss the stepwise synthesis and characterization of a Fe(ii)/Mn(ii) species and related Fe(ii)/Fe(ii) complexes.
First principles modeling of composites involving TiO2 clusters supported on M2C MXenes
Authors: Keyhanian Masoomeh , García-Romeral Néstor , Morales-García Ángel , Viñes Francesc , Illas Francesc
Published: July 2024

Understanding the formation of (TiO2)5/M2C (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W) composites: Effect of MXene composition.
Gravitationally-induced wave function collapse time for molecules
Authors: Tomaz Anderson A. , Mattos Rafael S. , Barbatti Mario
Published: July 2024

We compute wave function collapse times based on the Diósi–Penrose hypothesis that gravity induces collapse. These times range from sub-attoseconds in macroscopic bodies to billions of years in isolated molecules.
Facile synthesis and electronic structure optimization of sub-nanometer palladium clusters for efficient direct synthesis of H2O2
Authors: Chen Yulu , Pan Hongyan , Yang Chunliang , Xiao Haipeng , Chen Zheng , Zhu Chun , Zhao Weiyue , Lin Qian
Published: July 2024

A sub-nanometer Pd/ZDC catalyst for efficient H2O2 direct synthesis has been successfully prepared by regulating the pore size and nitrogen configuration, achieving a remarkable H2O2 selectivity of 81.6% and productivity of 3323 mmol gPd−1 h−1.
Unveiling the relation between multiple chemical products and process conditions for trichloroethylene and perchloroethylene production via catalysis network analysis
Authors: Takahashi Lauren , Yamada Taku , Okamoto Hidekazu , Takahashi Keisuke
Published: July 2024

Unveiling the complex condition for producing trichloroethylene & perchloroethylene.
Catalytic dehalogenation with activated borane, a porous borane cluster polymer
Authors: Udnoor Abhishek , Urbán Béla , Škoch Karel , Hynek Jan , Horáček Michal , Lamač Martin , Demel Jan
Published: July 2024

Catalytic reductive dehalogenation of aliphatic C–X bonds (X = F, Cl) was achieved using triethylsilane and a halogen- and metal-free solid porous polymer based on borane clusters as a catalyst.
Multi-geometric carbon encapsulated SnP3 composite for superior lithium/potassium ion batteries
Authors: Hu Zhongliang , Zhao Xixia , Zhao Yanqing , Zhao Qian , Zhao Xin , Wei Guijuan , Chen Honglei
Published: July 2024

A SnP3–CNTs/KB composite with a multi-geometric carbon support was constructed, which delivered high reversible capacities for lithium/potassium ion batteries.
Regenerative in situ formed Bi nanoparticles on Bi2O2CO3 nanosheets with Bi-vacancies for efficient and stable photocatalytic CO2 reduction to formate
Authors: Wen Donglian , Zhao Jie , You Yang , Huang Liang , Zhu Haoheng , Zhang Chuanghui , Bu Donglei , Huang Shaoming
Published: July 2024

A new strategy has been developed to construct highly efficient photocatalysts for CO2 reduction to formate with regenerative active sites.
Development of a fluidized bed reactor for phosphorus recovery from rubber industry wastewater through struvite formation: material selection and prototype
Authors: Maddewor Danai , Kemacheevakul Patiya , Phungsombun Nipaphan , Savatdipap Pongsavat , Chuangchote Surawut
Published: July 2024

A fluidized bed reactor for phosphorus (P) recovery from treated rubber industry wastewater through struvite formation was developed.
Oil-in-oil droplet stability dependence on dimensions of 2D Pickering particles of controlled size
Authors: Dale Simon D. , Beament James , Dove Andrew P. , O'Reilly Rachel K.
Published: July 2024

Control in 2D polymer particle size results in control over the droplet diameter and stability in oil-in-oil Pickering emulsions.
An analysis of the physicochemical properties of oral drugs from 2000 to 2022
Authors: Pirie Rachael , Stanway-Gordon Harriet A. , Stewart Hannah L. , Wilson Kirsty L. , Patton Summer , Tyerman Jack , Cole Daniel J. , Fowler Katherine , Waring Michael J.
Published: July 2024

Calculable physicochemical descriptors are a useful guide to assist compound design in medicinal chemistry.
Thiazolidine-2,4-dione hybrids as dual alpha-amylase and alpha-glucosidase inhibitors: design, synthesis, in vitro and in vivo anti-diabetic evaluation
Authors: Singh Gurpreet , Singh Rajveer , Monga Vikramdeep , Mehan Sidharth
Published: July 2024

Synthesis and biological evaluation of TZD-based hybrids.
Discovery and structure–activity relationship study of novel isoxazole-based small molecules targeting Zika virus infections
Authors: Girmay Berehe Solomon , Ayele Sileshi Abera , Abbas Syed Azeem , Jang Su San , Jung Eunhye , Shin Jin Soo , Han Soo Bong , Kim Hyejin
Published: July 2024

This study explores novel isoxazole-based small molecules, identifying compound 7l with potent antiviral activity against Zika virus (ZIKV) and an improved safety profile in vitro, highlighting its potential as a promising candidate for therapeutic development.
Radiosynthesis of [18F]brequinar for in vivo PET imaging of hDHODH for potential studies of acute myeloid leukemia and cancers
Authors: Banka Vinay Kumar , Sainas Stefano , Martino Elena , Wang Jiacheng , Lolli Marco Lucio , Ding Yu-Shin
Published: July 2024

Dihydroorotate dehydrogenase (DHODH), an enzyme that plays a critical role in the de novo pyrimidine biosynthesis, has been recognized as a promising target for the treatment of diseases that involve cellular proliferation, such as AML and cancers.
Single stranded 1D-helical Cu coordination polymer for ultra-sensitive ammonia sensing at room temperature
Authors: Im Taehun , Lee Juyun , Kim Sung-Chul , Randrianandraina Joharimanitra , Lee Joo-Won , Chung Myoung Won , Park Taesung , Low Kam-Hung , Lee Seungkyu , Oh Soong Ju , Kang Yun Chan , Weon Seunghyun , Lee Jung-Hoon , Kim Seon Joon , Jeong Sohee
Published: July 2024

In this study, we introduce a groundbreaking NH3 gas sensor based on semiconducting, single-stranded Cu(i)-based coordination polymers (MTCP). The sensor demonstrates an exceptional response to NH3 gas and superior selectivity at room temperature.
Extraction and untargeted analysis of metabolome from undemineralised cortical bone matrix
Authors: Bonicelli Andrea , Taylor George , Procopio Noemi
Published: July 2024

Single-phase bone metabolomic protocols for forensics are preferred to biphasic ones for repeatability and compound variety. Two combined chromatographic/mass spectrometry strategies maximise compound coverage from compromised skeletal remains.
Fe3O4/PANI/CuI as a sustainable heterogeneous nanocatalyst for A3 coupling
Authors: Nisha  , Kohli Sahil , Singh Snigdha , Sharma Neera , Chandra Ramesh
Published: July 2024

The prepared copper iodide nanoparticles were impregnated on the support of ferrite nanoparticles functionalized with polyaniline, resulting in a magnetically recoverable heterogeneous nanocomposite.
Modulations of the work function and morphology of a single MoS2 nanotube by charge injection
Authors: Remškar Maja , Jelenc Janez , Czepurnyi Nikolai , Malok Matjaž , Pirker Luka , Schreiner Rupert , Hüttel Andreas K.
Published: July 2024

A chiral MoS2 nanotube, 25 nm in radius, exposed to charge injections eliptically deforms and twists in consistency with a coupling of the axial and torsional components of a reverse piezoelectric effect, and its work function is long-term modulated.
N-doped-carbon encapsulated FeMoxOy nanoparticles for efficiently removing rhodamine B by oxidation of 1O2 generated from H2O2
Authors: Yin Tongjiao , Zou Siyuan , He Fei , Cai Qinghai
Published: July 2024

N-doped carbon encapsulated FeMoxOy nanocrystalline materials prepared using a facile approach provide efficient heterogeneous catalytic activity for degradation of dyes via activating H2O2 to generate 1O2 and surface Mo/Fe dual ion synergic effect.
Changes of phonon modes and electron transfer induced by interface interactions of Pd/MoS2 heterostructures
Authors: Chen Xinyi , Zhou Liang , Wu Yusong , Cao Yadi , Jiang Wengui , Xu Yingying , Wang Rongming , Sun Yinghui
Published: July 2024

Effect of Pd nanoparticles on the phonon modes of monolayer MoS2. Compared with pristine spectrum, a new A′1g vibration peak appears after Pd deposition. Its Raman intensity mapping shows the detectable signal on the whole Pd–MoS2 area.
Efficient one-step amide formation using amino porphyrins
Authors: Vollett Kyle D. W. , Cheng Hai-Ling Margaret
Published: July 2024

A fast, high-yield one-step reaction is proposed for conjugating an MRI contrast agent to carboxylic acids and is demonstrated for synthesizing a blood-pool contrast agent that reversibly binds to albumin for in vivo vascular MRI.
Fluoride-free synthesis of high-silica RHO zeolite for the highly selective synthesis of methylamine
Authors: Wang Yufei , Han Jinfeng , Jin Keyan , Liu Shuang , Li Qiang , Hou Pan , Liu Shiping , Song Qi , Wang Zhendong , Tian Peng , Yan Wenfu
Published: July 2024

High-silica RHO zeolites with high MMA plus DMA yield in methylamine synthesis were synthesized via interzeolite conversion of SSZ-13 with less OSDA and fluoride-free conditions. The d8r units of RHO were formed by s8r units of decomposed SSZ-13.