bluuebunny/crossref_metadata_2025 huggingface dataset:
Nutritional value and environmental aspects of high-protein ultra-processed foods on the German market
Authors: Koop Jana , Fedde Svenja , Hägele Franziska A , Beunink Christina , Müller Manfred J , Bosy-Westphal Anja
Published: October 2024

Objective:

To compare nutritional value and aspects with environmental impact of high-protein (HP) and ‘normal-protein’ (NP) ultra-processed foods (UPF).

Design:

299 HP and 286 NP products were evaluated regarding aspects of nutritional value, energy density, Nutri-Score, number of additives as well as hyper-palatability and price. Environmental impact of HP UPF was addressed by analysing protein sources and the use of environmentally persistent non-nutritive artificial sweeteners.

Setting:

Cross-sectional market analysis in German supermarkets and online shops.

Participants:

299 HP and 286 NP UPF products.

Results:

HP compared to NP UPF had a lower energy density, a lower content of sugar, total and saturated fat, whereas fibre and protein content (62·2 % animal protein) were higher (all P < 0·001). HP products therefore had a higher prevalence of Nutri-Score A (67·2 % v. 21·7 %) and a lower prevalence of Nutri-Score E (0·3 % v. 11·2 %) labelling (both P < 0·001). By contrast, salt content and the number of additives (environmentally persistent sweeteners, sugar alcohols, flavourings) were higher in HP compared to NP UPF (P < 0·001). When compared to HP products, twice as many NP were identified as hyper-palatable (82·5 % v. 40·5 %; P < 0·001). The price of HP was on average 132 % higher compared to NP UPF (P < 0·001).

Conclusions:

While major adverse aspects of UPF regarding nutritional profile and hyper-palatability are less pronounced in HP compared to NP products, higher salt content, increased number of additives and negative environmental effects from frequent use of animal protein and environmentally persistent sweeteners are major drawbacks of HP UPF.
A qualitative exploration of Gestalt therapy and systemic pedagogy paediatric primary healthcare consultations in Agramunt (Spain)
Authors: Pujol Puyané Teresa , Medina-Perucha Laura , López-Jiménez Tomàs , Berenguera Anna
Published: October 2024

Introduction:

Gestalt therapy (GT) and systemic pedagogy (SP) are useful tools to approach emotional difficulties and mental health problems among children and adolescents. The main objective of this study was to explore the perceptions on GT and SP techniques in paediatric mental health-related consultations in a primary healthcare (PHC) centre in Catalonia in 2018–2019, among families, healthcare, and education professionals.

Methods:

Qualitative study, combining semi-structured interviews with families (N = 42) and professionals (N = 15), conducted after a series paediatric PHC consultations including GT and SP techniques. Interviews lasted between 15 and 90 min and were conducted at the PHC centre where GT/SP consultations took place, and at professionals’ workplaces. Socio-demographics, reasons for consultation, and quantitative ratings on the perceived effectiveness of GT/SP consultations were also collected to combine these data with the qualitative interviews. Qualitative data were analyzed descriptively using thematic analysis. Quantitative data were analyzed by calculating frequencies (percentages) for categorical variables, and means, medians, and ranges for continuous variables.

Results:

Narratives from families and healthcare professionals indicate that GT/SP consultations might have been effective in improving children and adolescents’ symptomatology and emotional health. Improved well-being within the family context was another main finding, based on families’ perceptions and experiences. Besides, GT/SP were considered acceptable for approaching emotional and mental health in PHC services, although barriers for implementation were identified.

Conclusions:

This study presents data on the potential usefulness of GT/SP to design and implement services that promote emotional and mental health among children and adolescents in PHC. Also, for the development of health policies and future research in this area.
A 14,000‐Year Sediment Record of Mercury Accumulation and Isotopic Signatures From Lake Malaya Chabyda (Siberia)
Authors: Hughes‐Allen Lara , Bouchard Frédéric , Biskaborn Boris K. , Cardelli Sahara , Subetto Dmitry A. , Laffont Laure , Sonke Jeroen E.
Published: October 2024

Eurasian permafrost soils contain large amounts of organic carbon (OC) and mercury (Hg), sequestered by vegetation during past and present interglacial periods. Lake sediment archives may help understand past OC and Hg dynamics and how they interact with climate‐related variables. We investigated Hg accumulation, OC dynamics, and Hg and OC stable isotopes in a 14,000‐year sediment record from Lake Malaya Chabyda (Central Yakutia, Russia). Sediment Hg was correlated to OC (p value < 0.01), with lower OC and Hg accumulation rates (OCAR, HgAR) during the cold Younger Dryas (YD, 12,900–11,700 cal BP), when the lake level was low. Elevated sediment Δ200Hg (0.05‰ ± 0.11‰), representing dominant HgII deposition, and low δ13C, indicates low lake primary productivity during the YD. During the early Holocene, Δ200Hg and Δ199Hg decreased, while δ13C, δ202Hg, OCAR, and HgAR increased, suggesting enhanced algal primary productivity in deeper, more turbid waters. From 4,100 cal BP to present, Hg/OC ratios and HgAR increased at constant OCAR, indicating an additional Hg source to the lake. Analysis of Hg isotopes suggests direct Hg0 uptake into lake waters, potentially driven by primary production and efficient Hg burial. Our observations suggest that the gradual climate warming since the Last Glacial Termination and into the early Holocene led to enhanced OC and Hg burial in northern lakes and watersheds. Late Holocene enhanced Hg burial, but not OC, is possibly related to a renewed increase in lake primary productivity. Continued global warming may lead to further Hg sequestration in northern aquatic ecosystems.
DiffESM: Conditional Emulation of Temperature and Precipitation in Earth System Models With 3D Diffusion Models
Authors: Bassetti Seth , Hutchinson Brian , Tebaldi Claudia , Kravitz Ben
Published: October 2024

Earth system models (ESMs) are essential for understanding the interaction between human activities and the Earth's climate. However, the computational demands of ESMs often limit the number of simulations that can be run, hindering the robust analysis of risks associated with extreme weather events. While low‐cost climate emulators have emerged as an alternative to emulate ESMs and enable rapid analysis of future climate, many of these emulators only provide output on at most a monthly frequency. This temporal resolution is insufficient for analyzing events that require daily characterization, such as heat waves or heavy precipitation. We propose using diffusion models, a class of generative deep learning models, to effectively downscale ESM output from a monthly to a daily frequency. Trained on a handful of ESM realizations, reflecting a wide range of radiative forcings, our DiffESM model takes monthly mean precipitation or temperature as input, and is capable of producing daily values with statistical characteristics close to ESM output. Combined with a low‐cost emulator providing monthly means, this approach requires only a small fraction of the computational resources needed to run a large ensemble. We evaluate model behavior using a number of extreme metrics, showing that DiffESM closely matches the spatio‐temporal behavior of the ESM output it emulates in terms of the frequency and spatial characteristics of phenomena such as heat waves, dry spells, or rainfall intensity.
Audible Storm Waves Could Turbocharge Earth’s Radiation Belts
Authors: Stanley Sarah
Published: October 2024

Electromagnetic chorus waves could generate more extreme radiation levels than previously thought, posing severe hazards for Earth-orbiting spacecraft.
Influence of Initial Proton Energy on the Nonlinear Interactions Between Ring Current Protons and He+ Band EMIC Waves
Authors: Zhou Su , Cai Yongzhi
Published: October 2024

The energy of ring current protons is believed to influence the pitch angle scattering due to electromagnetic ion cyclotron (EMIC) waves and is typically analyzed using quasi‐linear theory. However, nonlinear behavior becomes significant as the wave amplitude intensifies. In this study, we aim to explore how the nonlinear behavior depends on the initial proton energy under various background plasma density conditions. The frequency of EMIC waves is 0.96ΩHe (where ΩHe is the gyrofrequency of He+ at the equator). It is found that the higher energy protons with nonlinear phase trapping experience more resonances, causing these trapped protons to move away from the loss cone more quickly compared to lower energy protons. However, the proportion of phase‐trapped protons significantly decreases as the initial proton energy increases. This declining trend is more pronounced for a background plasma condition in the plasmapause than within the plasmasphere. The number of phase‐trapped protons goes to zero as initial proton energy increases to above approximately 60 keV. Additionally, nonlinear phase bunching is more pronounced for lower energy protons (e.g., below 60 keV) compared to higher energy protons. As a result, both nonlinear phase trapping and phase bunching contribute to larger standard deviations in the net changes of equatorial pitch angle (Δαeq), suggesting a larger pitch agnel diffusion coefficient compared to the prediction of quasi‐linear theory.
Atmospheric Microplastics Emission Source Potentials and Deposition Patterns in Semi‐Arid Croplands of Northern China
Authors: Long Xin , Zhang Shuang , Huang Dasheng , Chang Chunping , Peng Chao , Liu Kai , Wang Kai , Liu Xuejun , Fu Tzung‐May , Han Yan , Li Pengcheng , Han Yongming , Cao Junji , Li Xueke , Guo Zhongling , Chen Yang
Published: October 2024

Frequent wind erosion events in semi‐arid regions can lead to significant atmospheric microplastic (MP) emissions from croplands. We examine observed and predicted characteristics of atmospheric MPs over cropland in Northern China. Measurements showed that fibers were the predominant morphology, accounting for 69% of the 198 observed MPs. The observed atmospheric MP abundance varied widely, averaging 0.088 # m−3 in the absence of air masses passing through near‐surface croplands and increasing significantly to 0.26 # m−3 when such air masses were present. The predictions of deposition flux for atmospheric MPs over croplands indicated a spatial variation ranging from less than 0.5 g km−2 day−1 in the north to over 15 g km−2 day−1 in the south, corresponding to an average of approximately 13.3 g km−2 day−1. Our findings highlight the dual role of surface soil as both a potential source and sink of atmospheric MPs, underscoring the need for further research on the regional dynamics of wind‐driven MP emissions and their associated ecosystem health risks in semi‐arid croplands.
A Machine Learning Zircon Trace Element Tool to Predict Porphyry Deposit Type and Resource Size
Authors: Wen Zi‐Hao , Xu Bo , Kirkland Christopher L. , Lentz David R. , Hou Zeng‐Qian , Wang Tao , Yuan Mao‐Wen
Published: October 2024

Porphyry deposits are primarily known for their association with base metals like copper and to some extent molybdenum and gold. Here we present machine learning models, based on zircon composition, that provide quantitative distinction between different deposit types and resource sizes. Using a global zircon compositional database for different porphyry deposits (9,649 samples), we trained several machine learning models. A porphyry deposit type model (PDT model) was developed using XGBoost, which distinguishes between barren, Cu, and Mo bearing deposits. Furthermore, porphyry Cu and Mo reserve models (Porphyry Cu Reserve [PCR] and Porphyry Mo Reserve [PMR] model) were also developed using XGBoost and LightGBM, respectively, to give prediction of resource size in unexplored area. F1‐scores for the models are 0.97, 0.91, and 0.82. The model‐built feature importance and Shapley Additive exPlanations values imply that (EuN/EuN*)/Y, Th/U, Th/U and Ce are important in the PDT model, Ti, T (°C), U, and Hf are important for the PCR model, and Hf, U, Th/U, and EuN/EuN* are important for the PMR model. From a mineral system perspective, the three models imply that water, temperature, and magma evolution are pivotal to the type of deposits that forms. Temperature and magma evolution in particular are important in prediction of Cu and Mo resource size. Application of models to the Wunugetushan deposit gives ore type and resource predictions that are consistent with known deposit occurrence and geochemistry. These findings suggest that machine learning models may not only assist in understanding the main geological processes linked to porphyry mineralization, but also have application in reducing exploration risk.
Extending GLUE With Multilevel Methods to Accelerate Statistical Inversion of Hydrological Models
Authors: Rudolph Max Gustav , Wöhling Thomas , Wagener Thorsten , Hartmann Andreas
Published: October 2024

Inverse problems aim at determining model parameters that produce observed data to subsequently understand, predict or manage hydrological or other environmental systems. While statistical inversion is especially popular, its sampling‐based nature often inhibits its application to computationally costly models, which has compromised the use of the Generalized Likelihood Uncertainty Estimation (GLUE) methodology, for example, for spatially distributed (partial) differential equation based models. In this study we introduce multilevel GLUE (MLGLUE), which alleviates the computational burden of statistical inversion by utilizing a hierarchy of model resolutions. Inspired by multilevel Monte Carlo, most parameter samples are evaluated on lower levels with computationally cheap low‐resolution models and only samples associated with a likelihood above a certain threshold are subsequently passed to higher levels with costly high‐resolution models for evaluation. Inferences are made at the level of the highest‐resolution model but substantial computational savings are achieved by discarding samples with low likelihood already on levels with low resolution and low computational cost. Two example inverse problems, using a rainfall‐runoff model and groundwater flow model, demonstrate the substantially increased computational efficiency of MLGLUE compared to GLUE as well as the similarity of inversion results. Findings are furthermore compared to inversion results from Markov‐chain Monte Carlo (MCMC) and multilevel delayed acceptance MCMC, a corresponding multilevel variant, to compare the effects of the multilevel extension. All examples demonstrate the wide‐range suitability of the approach and include guidelines for practical applications.
Substrate engagement by the intramembrane metalloprotease SpoIVFB
Authors: Orlando Melanie A. , Pouillon Hunter J. T. , Mandal Saikat , Kroos Lee , Orlando Benjamin J.
Published: October 2024

S2P intramembrane metalloproteases regulate diverse signaling pathways across all three domains of life. However, the mechanism by which S2P metalloproteases engage substrates and catalyze peptide hydrolysis within lipid membranes has remained elusive. Here we determine the cryo-EM structure of the S2P family intramembrane metalloprotease SpoIVFB from Bacillus subtilis bound to its native substrate Pro-σK. The structure and accompanying biochemical data demonstrate that SpoIVFB positions Pro-σK at the enzyme active site through a β-sheet augmentation mechanism, and reveal key interactions between Pro-σK and the interdomain linker connecting SpoIVFB transmembrane and CBS domains. The cryo-EM structure and molecular dynamics simulation reveal a plausible path for water to access the membrane-buried active site of SpoIVFB, and suggest a possible role of membrane lipids in facilitating substrate capture. These results provide key insight into how S2P intramembrane metalloproteases capture and position substrates for hydrolytic proteolysis within the hydrophobic interior of a lipid membrane.
Dynamic patterns of functional connectivity in the human brain underlie individual memory formation
Authors: Phan Audrey T. , Xie Weizhen , Chapeton Julio I. , Inati Sara K. , Zaghloul Kareem A.
Published: October 2024

Remembering our everyday experiences involves dynamically coordinating information distributed across different brain regions. Investigating how momentary fluctuations in connectivity in the brain are relevant for episodic memory formation, however, has been challenging. Here we leverage the high temporal precision of intracranial EEG to examine sub-second changes in functional connectivity in the human brain as 20 participants perform a paired associates verbal memory task. We first identify potential functional connections by selecting electrode pairs across the neocortex that exhibit strong correlations with a consistent time delay across random recording segments. We then find that successful memory formation during the task involves dynamic sub-second changes in functional connectivity that are specific to each word pair. These patterns of dynamic changes are reinstated when participants successfully retrieve the word pairs from memory. Therefore, our data provide direct evidence that specific patterns of dynamic changes in human brain connectivity are associated with successful memory formation.
Therapeutic targeting of differentiation-state dependent metabolic vulnerabilities in diffuse midline glioma
Authors: Mbah Nneka E. , Myers Amy L. , Sajjakulnukit Peter , Chung Chan , Thompson Joyce K. , Hong Hanna S. , Giza Heather , Dang Derek , Nwosu Zeribe C. , Shan Mengrou , Sweha Stefan R. , Maydan Daniella D. , Chen Brandon , Zhang Li , Magnuson Brian , Zhu Zirui , Radyk Megan , Lavoie Brooke , Yadav Viveka Nand , Koo Imhoi , Patterson Andrew D. , Wahl Daniel R. , Franchi Luigi , Agnihotri Sameer , Koschmann Carl J. , Venneti Sriram , Lyssiotis Costas A.
Published: October 2024

H3K27M diffuse midline gliomas (DMG), including diffuse intrinsic pontine gliomas (DIPG), exhibit cellular heterogeneity comprising less-differentiated oligodendrocyte precursors (OPC)-like stem cells and more differentiated astrocyte (AC)-like cells. Here, we establish in vitro models that recapitulate DMG-OPC-like and AC-like phenotypes and perform transcriptomics, metabolomics, and bioenergetic profiling to identify metabolic programs in the different cellular states. We then define strategies to target metabolic vulnerabilities within specific tumor populations. We show that AC-like cells exhibit a mesenchymal phenotype and are sensitized to ferroptotic cell death. In contrast, OPC-like cells upregulate cholesterol biosynthesis, have diminished mitochondrial oxidative phosphorylation (OXPHOS), and are accordingly more sensitive to statins and OXPHOS inhibitors. Additionally, statins and OXPHOS inhibitors show efficacy and extend survival in preclinical orthotopic models established with stem-like H3K27M DMG cells. Together, this study demonstrates that cellular subtypes within DMGs harbor distinct metabolic vulnerabilities that can be uniquely and selectively targeted for therapeutic gain.
Interference length reveals regularity of crossover placement across species
Authors: Ernst Marcel , Mercier Raphael , Zwicker David
Published: October 2024

Crossover interference is a phenomenon that affects the number and positioning of crossovers in meiosis and thus affects genetic diversity and chromosome segregation. Yet, the underlying mechanism is not fully understood, partly because quantification is difficult. To overcome this challenge, we introduce the interference length Lint that quantifies changes in crossover patterning due to interference. We show that it faithfully captures known aspects of crossover interference and provides superior statistical power over previous measures such as the interference distance and the gamma shape parameter. We apply our analysis to empirical data and unveil a similar behavior of Lint across species, which hints at a common mechanism. A recently proposed coarsening model generally captures these aspects, providing a unified view of crossover interference. Consequently, Lint facilitates model refinements and general comparisons between alternative models of crossover interference.
Serological analysis in humans in Malaysian Borneo suggests prior exposure to H5 avian influenza near migratory shorebird habitats
Authors: Klim Hannah , William Timothy , Mellors Jack , Brady Caolann , Rajahram Giri S. , Chua Tock H. , Brazal Monzó Helena , John Jecelyn Leslie , da Costa Kelly , Jeffree Mohammad Saffree , Temperton Nigel J. , Tipton Tom , Thompson Craig P. , Ahmed Kamruddin , Drakeley Chris J. , Carroll Miles W. , Fornace Kimberly M.
Published: October 2024

Cases of H5 highly pathogenic avian influenzas (HPAI) are on the rise. Although mammalian spillover events are rare, H5N1 viruses have an estimated mortality rate in humans of 60%. No human cases of H5 infection have been reported in Malaysian Borneo, but HPAI has circulated in poultry and migratory avian species transiting through the region. Recent deforestation in coastal habitats in Malaysian Borneo may increase the proximity between humans and migratory birds. We hypothesise that higher rates of human-animal contact, caused by this habitat destruction, will increase the likelihood of potential zoonotic spillover events. In 2015, an environmentally stratified cross-sectional survey was conducted collecting geolocated questionnaire data in 10,100 individuals. A serological survey of these individuals reveals evidence of H5 neutralisation that persisted following depletion of seasonal H1/H3 HA binding antibodies from the plasma. The presence of these antibodies suggests that some individuals living near migratory sites may have been exposed to H5 HA. There is a spatial and environmental overlap between individuals displaying high H5 HA binding and the distribution of migratory birds. We have developed a novel surveillance approach including both spatial and serological data to detect potential spillover events, highlighting the urgent need to study cross-species pathogen transmission in migratory zones.
Distinct functions for beta and alpha bursts in gating of human working memory
Authors: Liljefors Johan , Almeida Rita , Rane Gustaf , Lundström Johan N. , Herman Pawel , Lundqvist Mikael
Published: October 2024

Multiple neural mechanisms underlying gating to working memory have been proposed with divergent results obtained in human and animal studies. Previous findings from non-human primates suggest prefrontal beta frequency bursts as a correlate of transient inhibition during selective encoding. Human studies instead suggest a similar role for sensory alpha power fluctuations. To cast light on these discrepancies we employed a sequential working memory task with distractors for human participants. In particular, we examined their whole-brain electrophysiological activity in both alpha and beta bands with the same single-trial burst analysis earlier performed on non-human primates. Our results reconcile earlier findings by demonstrating that both alpha and beta bursts in humans correlate with the filtering and control of memory items, but with region and task-specific differences between the two rhythms. Occipital beta burst patterns were selectively modulated during the transition from sensory processing to memory retention whereas prefrontal and parietal beta bursts tracked sequence order and were proactively upregulated prior to upcoming target encoding. Occipital alpha bursts instead increased during the actual presentation of unwanted sensory stimuli. Source reconstruction additionally suggested the involvement of striatal and thalamic alpha and beta. Thus, specific whole-brain burst patterns correlate with different aspects of working memory control.
Mechano-adaptive meta-gels through synergistic chemical and physical information-processing
Authors: Dúzs Brigitta , Skarsetz Oliver , Fusi Giorgio , Lupfer Claudius , Walther Andreas
Published: October 2024

Global functional adaptation after local mechanical stimulation, as in mechanobiology and the mimosa plant, is fascinating and ubiquitous in nature. This is achieved by locally sensing mechanical deformation with precise thresholds, processing this information via biochemical circuits, followed by downstream actuation. The integration of such embodied intelligence allowing for mechano-to-chemo-to-function information-processing remains elusive in man-made systems. By merging the fields of chemical circuits and metamaterials, we introduce adaptive metamaterial hydrogels (meta-gels) that can accurately sense mechanical stimuli (local touch and global strain), transmit this information over long distances via reaction-diffusion signaling, and induce downstream mechanical strengthening by growing nanofibril networks, or soft robotic actuation through competitive swelling. All elements of the sensor-processor-actuator system are embedded in the device, functioning autonomously without external feeding reservoirs. Our concept enables designing advanced life-like materials systems that synergistically combine two worlds – chemical circuits for chemical information-processing and metamaterial unit cells for physical information-processing.
In vivo imaging of the human brain with the Iseult 11.7-T MRI scanner
Authors: Boulant Nicolas , Mauconduit Franck , Gras Vincent , Amadon Alexis , Le Ster Caroline , Luong Michel , Massire Aurélien , Pallier Christophe , Sabatier Laure , Bottlaender Michel , Vignaud Alexandre , Le Bihan Denis
Published: October 2024

The understanding of the human brain is one of the main scientific challenges of the twenty-first century. In the early 2000s, the French Atomic Energy Commission launched a program to conceive and build a human magnetic resonance imaging scanner operating at 11.7 T. We have now acquired human brain images in vivo at such a magnetic field. We deployed parallel transmission tools to mitigate the radiofrequency field inhomogeneity problem and tame the specific absorption rate. The safety of human imaging at such high field strength was demonstrated using physiological, vestibular, behavioral and genotoxicity measurements on the imaged volunteers. Our technology yields T2 and T2*-weighted images reaching mesoscale resolutions within short acquisition times and with a high signal and contrast-to-noise ratio.
Barrel rifling node offset detection and subsequent optimization based on thin film in-mold decoration characteristics of the Johnson–Cook model
Authors: Chang Hanjui , Zhang Guangyi , Sun Yue , Lu Shuzhou
Published: October 2024

In this paper, a nodal detection method for the detection and optimization of barrel helix offsets is proposed. The barrel used in this experiment is a 6-helix barrel. Moreover, the special properties of the film of Polyetheretherketone (PEEK) material are used to cover the surface of the barrel helix with a virtual in-mold decoration (IMD) film, and the unique nature of the film die offset in the IMD is utilized to detect the position of the barrel helix. The area with a large die index is the area with a large helix offset in the barrel, and the IMD die index is introduced to quantify the data. The IMD die index is used to determine the helix offset of the damaged barrel. The novelty of this work is that each node can use the die index to efficiently detect the position of the barrel helix deviation, carry out subsequent optimization and repair work through the optimization of the injection molding parameters and the design optimization of the barrel and verify the experiment by comparing the results. Through the steady-state simulation research mode, different permutations and combinations of the two process parameters are simulated to study their effects. Quantitative reference indicators include but are not limited to dependent variables such as the fluid flow velocity, shear rate, temperature distribution and phase transition, and the shear heating process of the injection screw is taken into account in the mold flow analysis to ensure that the die index value is more accurate. It can be seen from the analysis results that the temperature of the barrel changes after the groove depth and groove width are changed, and the effect ratio of the groove depth is lower than that of the groove width in the same degree of size change.
Impact of post-COVID symptoms on activity and participation of women and men
Authors: Rosenstein Jana , Lemhöfer Christina , Loudovici-Krug Dana , Sturm Christian , Bökel Andrea
Published: October 2024

Post-COVID syndrome is affecting many organ systems and arises as a major public health problem with millions of cases worldwide. The primary aim of this study is the analysis of health problems, activity limitations and participation restrictions (ALPR) of participants with post-COVID symptoms and the investigation of correlations between these elements to derive statements about the rehabilitation need, also depending on sex. A retrospective cohort study was performed to collect longitudinal data from January 2022 to January 2023 using the Covid-19 Rehabilitation Needs Questionnaire (RehabNeQ). Patients completed the questionnaire at the Department of Rehabilitation- and Sports Medicine at Hannover Medical School. The 1st assessment included 307 study participants, of whom 54 showed up for the 2nd, 7 for the 3rd and one for the 4th assessment. Study participants with post-COVID symptoms also experience ALPR. The results show no significant difference in symptom intensity in women and men, but in intensity of ALPR. We found many correlations of varying degrees between various factors with ALPR. We found frequent correlations between fatigue and several ALPR. While these correlations apply to both sexes, we also found different correlations in women and men, indicating the different rehabilitation need of women and men.
Enhanced climate change resilience on wheat anther morphology using optimized deep learning techniques
Authors: Zahir Arifa , Ali Zulfiqar , Al-Shamayleh Ahmad Sami , bas Syed Raza Ab , Mahmood Basharat , Al-Ghushami Abdullah Hussein , Adnan Rubina , Akhunzada Adnan
Published: October 2024

Wheat commands attention due to its significant impact on culture, nutrition, the economy, and the guarantee of food security. The anticipated rise in temperatures resulting from climate change is a key factor contributing to food insecurity, as it markedly reduces wheat harvests. Terminal heat stress mostly affects spike fertility in wheat, specifically influencing pollen fertility and anther morphology. This research especially focuses on the shape of anthers and examines the effects of heat stress. The DinoLite Microscope’s high-resolution images are used to measure the length and width of wheat anthers. By using object identification techniques, the research accurately measures the length and width of each anther in images, offering valuable insights into the differences between various wheat varieties. Furthermore, Deep Learning (DL) methodologies are utilized to enhance agriculture, specifically employing record categorization to advance plant breeding management. Given the ongoing challenges in agriculture, there is a belief that incorporating the latest technologies is crucial. The primary objective of this study is to explore how Deep Learning algorithms can be beneficial in categorizing agricultural records, particularly in monitoring and identifying variations in spring wheat germplasm. Various Deep Learning algorithms, including Convolution Neural Network (CNN), LeNet, and Inception-V3 are implemented to classify the records and extract various patterns. LeNet demonstrates optimized accuracy in classifying the records, outperforming CNN by 52% and Inception-V3 by 70%. Moreover, Precision, Recall, and F1 Measure are utilized to ascertain accuracy levels. The investigation also enhances our comprehension of the distinct roles played by various genes in abiotic stress tolerance among diverse wheat varieties. The outcomes of the research hold the potential to transform agricultural practices by introducing a more effective, data-driven approach to plant breeding management.
Structural insights into the mechanism of DNA branch migration during homologous recombination in bacteria
Authors: Rosa Leonardo Talachia , Vernhes Émeline , Soulet Anne-Lise , Polard Patrice , Fronzes Rémi
Published: October 2024

Some DNA helicases play central and specific roles in genome maintenance and plasticity through their branch migration activity in different pathways of homologous recombination. RadA is a highly conserved bacterial helicase involved in DNA repair throughout all bacterial species. In Gram-positive Firmicutes, it also has a role in natural transformation, while in Gram-negative bacteria, ComM is the canonical transformation-specific helicase. Both RadA and ComM helicases form hexameric rings and use ATP hydrolysis as an energy source to propel themselves along DNA. In this study, we present the cryoEM structures of RadA and ComM interacting with DNA and ATP analogs. These structures reveal important molecular interactions that couple ATP hydrolysis and DNA binding in RadA, as well as the role of the Lon protease-like domain, shared by RadA and ComM, in this process. Taken together, these results provide new molecular insights into the mechanisms of DNA branch migration in different pathways of homologous recombination.
Glycogenesis and glyconeogenesis from glutamine, lactate and glycerol support human macrophage functions
Authors: Jeroundi Najia , Roy Charlotte , Basset Laetitia , Pignon Pascale , Preisser Laurence , Blanchard Simon , Bocca Cinzia , Abadie Cyril , Lalande Julie , Gueguen Naïg , Mabilleau Guillaume , Lenaers Guy , Moreau Aurélie , Copin Marie-Christine , Tcherkez Guillaume , Delneste Yves , Couez Dominique , Jeannin Pascale
Published: October 2024

Macrophages fight infection and ensure tissue repair, often operating at nutrient-poor wound sites. We investigated the ability of human macrophages to metabolize glycogen. We observed that the cytokines GM-CSF and M-CSF plus IL-4 induced glycogenesis and the accumulation of glycogen by monocyte-derived macrophages. Glyconeogenesis occurs in cells cultured in the presence of the inflammatory cytokines GM-CSF and IFNγ (M1 cells), via phosphoenolpyruvate carboxykinase 2 (PCK2) and fructose-1,6-bisphosphatase 1 (FBP1). Enzyme inhibition with drugs or gene silencing techniques and 13C-tracing demonstrate that glutamine (metabolized by the TCA cycle), lactic acid, and glycerol were substrates of glyconeogenesis only in M1 cells. Tumor-associated macrophages (TAMs) also store glycogen and can perform glyconeogenesis. Finally, macrophage glycogenolysis and the pentose phosphate pathway (PPP) support cytokine secretion and phagocytosis regardless of the availability of extracellular glucose. Thus, glycogen metabolism supports the functions of human M1 and M2 cells, with inflammatory M1 cells displaying a possible dependence on glyconeogenesis.
Characteristics of bone formation following marsupialization of jaw cysts
Authors: Bodner L , Bar-Ziv J
Published: October 2024

OBJECTIVES

To assess bone regeneration following marsupialization of jaw cysts.

METHODS

CT with multiplanar reconstruction (MPR) was performed on 23 patients with cysts of the jaws pre-operatively and 3-4 months after marsupialization. The two images were compared for the three-dimensional outline of the cyst, the distance between the cyst and adjacent structures (vital teeth, maxillary sinus, nasal cavity and mandibular canal) and the integrity of the cortex and mandibular canal. The characteristics of the new bone formation were also determined.

RESULTS

The outline of the cyst was changed and partially reduced. The distance between cyst wall and adjacent structures was increased. There was remodelling of the cortex and mandibular canal. The new bone formed in the periphery of the cyst showed either a ground glass appearance or radial bone spicules.

CONCLUSION

CT with MPR is useful for evaluation of morphological changes and bone formation following marsupialization of jaw cysts. CT with MPR is the technique of choice for the maxilla and the entire body of the mandible and coronal CT for cysts in mandibular angle and ascending ramus. Cysts can be enucleated safely as early as 3 months after marsupialization.
Development of a compact computed tomographic apparatus for dental use
Authors: Arai Y , Tammisalo E , Iwai K , Hashimoto K , Shinoda K
Published: October 2024

OBJECTIVE

To describe a compact computed tomographic apparatus (Ortho-CT) for use in dental practice.

METHODS

Ortho-CT is a cone-beam-type of CT apparatus consisting of a multifunctional maxillofacial imaging machine (Scanora, Soredex, Helsinki, Finland) in which the film is replaced with an X-ray imaging intensifier (Hamamatsu Photonics, Hamamatsu, Japan). The region of image reconstruction is a cylinder 32 mm in height and 38 mm in diameter and the voxel is a 0.136-mm cube. Scanning is at 85 kV and 10 mA with a 1 mm Cu filter. The scan time is 17 s comparable with that required for rotational panoramic radiography. A single scan collects 512 sets of projection data through 360 degrees and the image is reconstructed by a personal computer. The time required for image reconstruction is about 10 min.

RESULTS

The resolution limit was about 2.0 lp mm-1 and the skin entrance dose 0.62 mGy. Excellent image quality was obtained with a tissue-equivalent skull phantom: roots, periodontal ligament space, lamina dura, and cancellous bone were clearly visualized.

CONCLUSION

Ortho-CT provides three-dimensional images of excellent quality for dental use at a low entrance dose.
Recent Trends in Peptide Drug Discovery and Development
Authors: Madge H. Y. R. , Muttenthaler M.
Published: October 2024

The commercial success of peptide drugs, coupled with advances in peptide drug discovery and delivery technologies, medicinal chemistry strategies, and large-scale manufacturing, continues to drive peptide drug development, with peptide drugs accounting for ∼6% (US$ 90 billion) of the total global drug market revenue. Peptide drugs for metabolic disorders dominate the market, with insulin analogues and glucagon-like peptide 1 receptor (GLP-1R) agonists accounting for $46 and $24 billion in revenue, respectively, in 2023. This chapter provides an overview of the current peptide drug landscape, covers recently approved peptide drug classes, and discusses the latest trends in peptide drug development. Recent drug approvals are discussed in more detail and include peptide drugs derived from peptide hormones, natural products, and display technologies for diseases such as diabetes, obesity, achondroplastic dwarfism, and myasthenia gravis. The chapter further spotlights medicinal chemistry strategies instrumental in progressing these drugs to the clinic. The continuously evolving landscape of peptide drug development, driven by innovative discoveries and strategic medicinal chemistry approaches, underscores the essential place that peptide drugs hold within the global pharmaceutical market.
Sustainable Approaches in Liquid-phase Oligonucleotide Synthesis (LPOS)
Authors: Ferrazzano L. , Rapisarda L.
Published: October 2024

The demand for oligonucleotides as therapeutic agents has fuelled their large-scale manufacture, with solid-phase synthesis (SPOS) being the preferred method for smaller-scale production owing to its automatability. Recently, liquid-phase approaches have emerged as credible alternatives. Liquid-phase oligonucleotide synthesis (LPOS) combines the benefits of SPOS, utilizing supports for chain elongation, with solution-phase methods, working in a heterogeneous phase. The use of soluble anchors in LPOS simplifies procedures and equipment. Liquid-phase approaches demonstrate a more environmentally friendly profile, requiring a smaller reagent excess for synthesis. However, purifying anchored oligonucleotide chains in LPOS remains challenging, necessitating a significant solvent excess, regardless of purification methods such as precipitation, extraction, nanofiltration, or chromatography. LPOS is compatible with various chemistries, including phosphoramidite, H-phosphonate, and phosphotriester, and has recently been integrated with stereopure P(v)-based synthetic approaches. Despite a few instances of applying LPOS to commercially relevant oligonucleotide synthesis, its use in large-scale production is yet to be realized, preventing a precise evaluation of its industrial feasibility. This chapter reviews these aspects, categorizing developed approaches based on the nature of the soluble support, considering the applied chemistry, and discussing sustainability and potential advances in this field.
Stereopure Oligonucleotides
Authors: Ferrazzano L.
Published: October 2024

All synthetic single-stranded nucleic acid sequences on the market as therapeutics include structural modifications aimed at improving their pharmacokinetic and stability towards nucleases, enhancing sequence specificity and affinity to complementary RNA or DNA. For these purposes, the main synthetic structural modifications proposed involve the sugar and the internucleoside linkage. The latter has been particularly explored and its most representative variation is the introduction of a phosphorothioate moiety. The replacement of an oxygen atom with a sulfur atom on the central P(v) results in a mixture of diastereomers, thus leading to the necessity for stereoselective approaches for their synthesis. In this chapter, a critical assessment of the advantages linked to the synthesis of stereopure oligonucleotides is presented, referring to the most recent stereocontrolled synthetic approaches and their implications in the manufacture of stereopure oligonucleotides as pharmaceutical ingredients.
Electroanalytical overview: the sensing of the mycophenolate mofetil and mycophenolic acid
Authors: Crapnell Robert D. , Banks Craig E.
Published: October 2024

In this review, we explore the electroanalytical determination of mycophenolate mofetil and mycophenolic acid.
V-Doping induced surface electron modulation and nanostructure design for Ni(OH)2/GO towards efficient urea electro-oxidation
Authors: Shu Weihang , Sun Qi , Huang Kangsheng , Xu Xiaoquan , Du Chengshuo , Bai Shuxing , Guo Mingrui
Published: October 2024

The dual modulation of both the electronic and geometric structures of V-α-Ni(OH)2/GO collectively enhances UOR activity and stability.
Synthesis of 5,6-substituted benzimidazoles and their evaluation as potential intermediates in the anaerobic vitamin B12 biosynthesis pathway
Authors: Vartak Aniket S. R. , Verma Shashank , Hazra Amrita B.
Published: October 2024

We report a modular 3-step synthesis of two benzimidazoles which are putative vitamin B12 biosynthesis intermediates. We also demonstrate their role in producing functional cobamide cofactors and as substrates for the phosphoribosyltransferase CobT.
Ion induced ultra-tough single-network ionogel
Authors: Yu Zhenchuan , Ma Biaolong , Wang Jiqiang
Published: October 2024

A strategy to fabricate ultra-tough ionogels by ionic induction is proposed, which provides a simple and general method for tuning ionogel properties.
Accessing structurally diverse aryl difluoromethyl ethers with bromo(difluoro)acetic acid
Authors: Kumawat Sandeep , Natte Kishore
Published: October 2024

We report a new streamlined approach for the difluoromethylation of ubiquitous phenols using inexpensive bromo(difluoro)acetic acid, yielding a wide array of structurally diverse OCF2H-based building blocks in a single step.
Retraction: PEG-nanotube liquid crystals as templates for construction of surfactant-free gold nanorods
Authors: Kameta Naohiro , Shiroishi Hidenobu
Published: October 2024

Retraction of ‘PEG-nanotube liquid crystals as templates for construction of surfactant-free gold nanorods’ by Naohiro Kameta and Hidenobu Shiroishi, Chem. Commun., 2018, 54, 4665–4668, https://doi.org/10.1039/C8CC02013B.
Cation effects and charge inversion contribute to the electrostatic stabilisation of protein bioconjugates in neat ionic liquids
Authors: Soni Lokesh , Kumar Raj , Sharma Kamendra P. , Panwar Ajay Singh
Published: October 2024

Dispersion of protein–polymer surfactant bioconjugates was stabilised by a combination of surface overcharging and steric exclusion of long chain cations in neat aprotic ionic liquid.
A time-independent, variational method for studying the photodissociation of triatomic molecules
Authors: Pezzella Marco , Mitev Georgi , Yurchenko Sergei N. , Tennyson Jonathan , Mitrushchenkov Alexander O.
Published: October 2024

The photodissociation of molecules is becoming an increasingly important factor to consider in the evolution of exoplanets' atmospheres orbiting around UV-rich stars, as it leads to the enrichment of atmospheric complexity.
A serendipitous crossed aldol reaction in the ligand periphery of a Ru(ii) polypyridyl complex in silica bed: prospects for delivering anticancer agents for photoactivated chemotherapy
Authors: Mishra Ramranjan , Chatterjee Pritha , Butcher Ray J. , Patra Ashis K.
Published: October 2024

This work provides a simple new strategy to design Ru(ii) polypyridyl-based photoactivated chemotherapeutic agents via the attachment of ‘uncageable’ anticancer agents based on a serendipitous crossed aldol reaction in the ligand periphery.
Iso- and hetero-polyoxovanadium glycolates [VIV6O6(glyc)6MIII(OH)6]3− (M = V, Cr, Fe, and Al) encapsulating metal hydroxides
Authors: Jin Wan-Ting , Xie Zhen-Lang , Su Xing , Gao Chuan-Hua , Hu Jing , Zhou Zhao-Hui
Published: October 2024

Anderson-type polyoxovanadium glycolates [VIV6O6(glyc)6MIII(OH)6]3− (M = V, Cr, Fe, and Al) encapsulating different metal hydroxides in the center exhibit distinct electronic structures as well as redox and magnetic properties.
Approach for quality deep-ultraviolet nonlinear optical crystals via a substitution strategy of channel species in zeolite
Authors: Liu Mingfeng , Mi Jin-Xiao , Zhang Yinggan , Wang Shuaihua , Wu Shaofan , Huang Ya-Xi
Published: October 2024

A strategy of channel species substitution of single anions by polyanionic groups in a zeotype rigid framework has been proposed to design a new deep-ultraviolet nonlinear zincophosphate (CLNSFZP), and even to tune the physicochemical properties.
Anion–π interaction and solvent dehydrogenation control enable high-voltage lithium-ion batteries
Authors: Zhou Tao , Wang Jinze , Lv Ling , Li Ruhong , Chen Long , Zhang Shuoqing , Zhang Haikuo , Ma Baochen , Huang Jiajie , Wu Bing , Chen Lixin , Deng Tao , Fan Xiulin
Published: October 2024

The electrolyte additive BFBN exhibits a repulsive interaction with EC and an attractive interaction with PF6−, suppressing EC dehydrogenation and facilitating the formation of anion-derived LiF-rich CEI.
A green and sustainable multi-enzyme cascade for the biosynthesis of 1,3-propanediamine from crude glycerol in vitro
Authors: Liao Daocheng , Tang Shiming , Lin Ying , Zheng Suiping
Published: October 2024

This paper designs a novel multi-enzyme cascade reaction capable of efficiently synthesizing 1,3-propanediamine from glycerol in vitro.
Flow electrosynthesis of phosphinamides and phosphoramidates through P–N coupling
Authors: Boruah Tribani , Ishizeki Ren , Roldan Alberto , Melen Rebecca L. , Wirth Thomas
Published: October 2024

A robust flow electrochemical method for P–N and P–O oxidative coupling under mild conditions has been developed. Cyclic voltammetry (CV) was employed to investigate the redox behaviour of reactants.
Atomic spectrometry update: review of advances in the analysis of metals, chemicals and materials
Authors: Bolea-Fernandez Eduardo , Clough Robert , Fisher Andy , Gibson Bridget , Russell Ben
Published: October 2024

This review covers advances in the analysis of advanced materials, metals, fuels and lubricants, nanostructures, ceramics, refractories, chemicals, catalysts and nuclear materials by a range of techniques including ICP-MS, non-destructive surface ablation and X-ray.