bluuebunny/crossref_metadata_2025 huggingface dataset:
Rapid increase in the risk of heat-related mortality
Authors: Lüthi Samuel , Fairless Christopher , Fischer Erich M. , Scovronick Noah , Ben Armstrong  , Coelho Micheline De Sousa Zanotti Staglior , Guo Yue Leon , Guo Yuming , Honda Yasushi , Huber Veronika , Kyselý Jan , Lavigne Eric , Royé Dominic , Ryti Niilo , Silva Susana , Urban Aleš , Gasparrini Antonio , Bresch David N. , Vicedo-Cabrera Ana M.
Published: August 2023

Heat-related mortality has been identified as one of the key climate extremes posing a risk to human health. Current research focuses largely on how heat mortality increases with mean global temperature rise, but it is unclear how much climate change will increase the frequency and severity of extreme summer seasons with high impact on human health. In this probabilistic analysis, we combined empirical heat-mortality relationships for 748 locations from 47 countries with climate model large ensemble data to identify probable past and future highly impactful summer seasons. Across most locations, heat mortality counts of a 1-in-100 year season in the climate of 2000 would be expected once every ten to twenty years in the climate of 2020. These return periods are projected to further shorten under warming levels of 1.5 °C and 2 °C, where heat-mortality extremes of the past climate will eventually become commonplace if no adaptation occurs. Our findings highlight the urgent need for strong mitigation and adaptation to reduce impacts on human lives.
Turning sulfonyl and sulfonimidoyl fluoride electrophiles into sulfur(VI) radicals for alkene ligation
Authors: Wu Xing , Zhang Wenbo , Sun Guangwu , Zou Xi , Sang Xiaoru , He Yongmin , Gao Bing
Published: August 2023

Sulfonyl and sulfonimidoyl fluorides are versatile substrates in organic synthesis and medicinal chemistry. However, they have been exclusively used as S(VI)+ electrophiles for defluorinative ligations. Converting sulfonyl and sulfonimidoyl fluorides to S(VI) radicals is challenging and underexplored due to the strong bond dissociation energy of SVI−F and high reduction potentials, but once achieved would enable dramatically expanded synthetic utility and downstream applications. In this report, we disclose a general platform to address this issue through cooperative organosuperbase activation and photoredox catalysis. Vinyl sulfones and sulfoximines are obtained with excellent E selectivity under mild conditions by coupling reactions with alkenes. The synthetic utility of this method in the preparation of functional polymers and dyes is also demonstrated.
Antibody-mediated NK cell activation as a correlate of immunity against influenza infection
Authors: Boudreau Carolyn M. , Burke John S. , Yousif Ashraf S. , Sangesland Maya , Jastrzebski Sandra , Verschoor Chris , Kuchel George , Lingwood Daniel , Kleanthous Harry , De Bruijn Iris , Landolfi Victoria , Sridhar Saranya , Alter Galit
Published: August 2023

Antibodies play a critical role in protection against influenza; yet titers and viral neutralization represent incomplete correlates of immunity. Instead, the ability of antibodies to leverage the antiviral power of the innate immune system has been implicated in protection from and clearance of influenza infection. Here, post-hoc analysis of the humoral immune response to influenza is comprehensively profiled in a cohort of vaccinated older adults (65 + ) monitored for influenza infection during the 2012/2013 season in the United States (NCT: 01427309). While robust humoral immune responses arose against the vaccine and circulating strains, influenza-specific antibody effector profiles differed in individuals that later became infected with influenza, who are deficient in NK cell activating antibodies to both hemagglutinin and neuraminidase, compared to individuals who remained uninfected. Furthermore, NK cell activation was strongly associated with the NK cell senescence marker CD57, arguing for the need for selective induction of influenza-specific afucosylated NK activating antibodies in older adults to achieve protection. High dose vaccination, currently used for older adults, was insufficient to generate this NK cell-activating humoral response. Next generation vaccines able to selectively bolster NK cell activating antibodies may be required to achieve protection in the setting of progressively senescent NK cells.
Next-generation proteomics for quantitative Jumbophage-bacteria interaction mapping
Authors: Fossati Andrea , Mozumdar Deepto , Kokontis Claire , Mèndez-Moran Melissa , Nieweglowska Eliza , Pelin Adrian , Li Yuping , Guo Baron , Krogan Nevan J. , Agard David A. , Bondy-Denomy Joseph , Swaney Danielle L.
Published: August 2023

Host-pathogen interactions are pivotal in regulating establishment, progression, and outcome of an infection. While affinity-purification mass spectrometry has become instrumental in characterizing such interactions, it suffers from limitations in scalability and biological authenticity. Here we present the use of co-fractionation mass spectrometry for high throughput analysis of host-pathogen interactions from native viral infections of two jumbophages (ϕKZ and ϕPA3) in Pseudomonas aeruginosa. This approach enabled the detection of > 6000 unique host-pathogen interactions for each phage, encompassing > 50% of their respective proteomes. This deep coverage provided evidence for interactions between KZ-like phage proteins and the host ribosome, and revealed protein complexes for previously undescribed phage ORFs, including a ϕPA3 complex showing strong structural and sequence similarity to ϕKZ non-virion RNA polymerase. Interactome-wide comparison across phages showed similar perturbed protein interactions suggesting fundamentally conserved mechanisms of phage predation within the KZ-like phage family. To enable accessibility to this data, we developed PhageMAP, an online resource for network query, visualization, and interaction prediction (https://phagemap.ucsf.edu/). We anticipate this study will lay the foundation for the application of co-fractionation mass spectrometry for the scalable profiling of host-pathogen interactomes and protein complex dynamics upon infection.
Zero-shot visual reasoning through probabilistic analogical mapping
Authors: Webb Taylor , Fu Shuhao , Bihl Trevor , Holyoak Keith J. , Lu Hongjing
Published: August 2023

Human reasoning is grounded in an ability to identify highly abstract commonalities governing superficially dissimilar visual inputs. Recent efforts to develop algorithms with this capacity have largely focused on approaches that require extensive direct training on visual reasoning tasks, and yield limited generalization to problems with novel content. In contrast, a long tradition of research in cognitive science has focused on elucidating the computational principles underlying human analogical reasoning; however, this work has generally relied on manually constructed representations. Here we present visiPAM (visual Probabilistic Analogical Mapping), a model of visual reasoning that synthesizes these two approaches. VisiPAM employs learned representations derived directly from naturalistic visual inputs, coupled with a similarity-based mapping operation derived from cognitive theories of human reasoning. We show that without any direct training, visiPAM outperforms a state-of-the-art deep learning model on an analogical mapping task. In addition, visiPAM closely matches the pattern of human performance on a novel task involving mapping of 3D objects across disparate categories.
Biosynthesized gold nanoparticles that activate Toll-like receptors and elicit localized light-converting hyperthermia for pleiotropic tumor immunoregulation
Authors: Qin Hao , Chen Yang , Wang Zeming , Li Nan , Sun Qing , Lin Yixuan , Qiu Wenyi , Qin Yuting , Chen Long , Chen Hanqing , Li Yiye , Shi Jian , Nie Guangjun , Zhao Ruifang
Published: August 2023

Manipulating the tumor immune contexture towards a more active state can result in better therapeutic outcomes. Here we describe an easily accessible bacterial biomineralization-generated immunomodulator, which we name Ausome (Au + [exo]some). Ausome comprises a gold nanoparticle core covered by bacterial components; the former affords an inducible hyperthermia effect, while the latter mobilizes diverse immune responses. Multiple pattern recognition receptors actively participate in Ausome-initiated immune responses, which lead to the release of a broad spectrum of pro-inflammatory cytokines and the activation of effector immune cells. Upon laser irradiation, tumor-accumulated Ausome elicits a hyperthermic response, which improves tissue blood perfusion and contributes to enhanced infiltration of immunostimulatory modules, including cytokines and effector lymphocytes. This immune-modulating strategy mediated by Ausome ultimately brings about a comprehensive immune reaction and selectively amplifies the effects of local antitumor immunity, enhancing the efficacy of well-established chemo- or immuno-therapies in preclinical cancer models in female mice.
Human forebrain organoid-based multi-omics analyses of PCCB as a schizophrenia associated gene linked to GABAergic pathways
Authors: Zhang Wendiao , Zhang Ming , Xu Zhenhong , Yan Hongye , Wang Huimin , Jiang Jiamei , Wan Juan , Tang Beisha , Liu Chunyu , Chen Chao , Meng Qingtuan
Published: August 2023

Identifying genes whose expression is associated with schizophrenia (SCZ) risk by transcriptome-wide association studies (TWAS) facilitates downstream experimental studies. Here, we integrated multiple published datasets of TWAS, gene coexpression, and differential gene expression analysis to prioritize SCZ candidate genes for functional study. Convergent evidence prioritized Propionyl-CoA Carboxylase Subunit Beta (PCCB), a nuclear-encoded mitochondrial gene, as an SCZ risk gene. However, the PCCB’s contribution to SCZ risk has not been investigated before. Using dual luciferase reporter assay, we identified that SCZ-associated SNPs rs6791142 and rs35874192, two eQTL SNPs for PCCB, showed differential allelic effects on transcriptional activities. PCCB knockdown in human forebrain organoids (hFOs) followed by RNA sequencing analysis revealed dysregulation of genes enriched with multiple neuronal functions including gamma-aminobutyric acid (GABA)-ergic synapse. The metabolomic and mitochondrial function analyses confirmed the decreased GABA levels resulted from inhibited tricarboxylic acid cycle in PCCB knockdown hFOs. Multielectrode array recording analysis showed that PCCB knockdown in hFOs resulted into SCZ-related phenotypes including hyper-neuroactivities and decreased synchronization of neural network. In summary, this study utilized hFOs-based multi-omics analyses and revealed that PCCB downregulation may contribute to SCZ risk through regulating GABAergic pathways, highlighting the mitochondrial function in SCZ.
Long-read whole-genome analysis of human single cells
Authors: Hård Joanna , Mold Jeff E. , Eisfeldt Jesper , Tellgren-Roth Christian , Häggqvist Susana , Bunikis Ignas , Contreras-Lopez Orlando , Chin Chen-Shan , Nordlund Jessica , Rubin Carl-Johan , Feuk Lars , Michaëlsson Jakob , Ameur Adam
Published: August 2023

Long-read sequencing has dramatically increased our understanding of human genome variation. Here, we demonstrate that long-read technology can give new insights into the genomic architecture of individual cells. Clonally expanded CD8+ T-cells from a human donor were subjected to droplet-based multiple displacement amplification (dMDA) to generate long molecules with reduced bias. PacBio sequencing generated up to 40% genome coverage per single-cell, enabling detection of single nucleotide variants (SNVs), structural variants (SVs), and tandem repeats, also in regions inaccessible by short reads. 28 somatic SNVs were detected, including one case of mitochondrial heteroplasmy. 5473 high-confidence SVs/cell were discovered, a sixteen-fold increase compared to Illumina-based results from clonally related cells. Single-cell de novo assembly generated a genome size of up to 598 Mb and 1762 (12.8%) complete gene models. In summary, our work shows the promise of long-read sequencing toward characterization of the full spectrum of genetic variation in single cells.
Diurnal rhythms of wrist temperature are associated with future disease risk in the UK Biobank
Authors: Brooks Thomas G. , Lahens Nicholas F. , Grant Gregory R. , Sheline Yvette I. , FitzGerald Garret A. , Skarke Carsten
Published: August 2023

Many chronic disease symptomatologies involve desynchronized sleep-wake cycles, indicative of disrupted biorhythms. This can be interrogated using body temperature rhythms, which have circadian as well as sleep-wake behavior/environmental evoked components. Here, we investigated the association of wrist temperature amplitudes with a future onset of disease in the UK Biobank one year after actigraphy. Among 425 disease conditions (range n = 200-6728) compared to controls (range n = 62,107-91,134), a total of 73 (17%) disease phenotypes were significantly associated with decreased amplitudes of wrist temperature (Benjamini-Hochberg FDR q < 0.05) and 26 (6.1%) PheCODEs passed a more stringent significance level (Bonferroni-correction α < 0.05). A two-standard deviation (1.8° Celsius) lower wrist temperature amplitude corresponded to hazard ratios of 1.91 (1.58-2.31 95% CI) for NAFLD, 1.69 (1.53-1.88) for type 2 diabetes, 1.25 (1.14-1.37) for renal failure, 1.23 (1.17-1.3) for hypertension, and 1.22 (1.11-1.33) for pneumonia (phenome-wide atlas available at http://bioinf.itmat.upenn.edu/biorhythm_atlas/). This work suggests peripheral thermoregulation as a digital biomarker.
An anti-LpqH human monoclonal antibody from an asymptomatic individual mediates protection against Mycobacterium tuberculosis
Authors: Krishnananthasivam Shivankari , Li Hao , Bouzeyen Rania , Shunmuganathan Bhuvaneshwari , Purushotorman Kiren , Liao Xinlei , Du Fengjiao , Friis Claudia Guldager Kring , Crawshay-Williams Felicity , Boon Low Heng , Xinlei Qian , Chan Conrad En Zuo , Sobota Radoslaw , Kozma Mary , Barcelli Valeria , Wang Guirong , Huang Hairong , Floto Andreas , Bifani Pablo , Javid Babak , MacAry Paul A.
Published: August 2023

Tuberculosis (TB) is an airborne disease caused by Mycobacterium tuberculosis (Mtb). Whilst a functional role for humoral immunity in Mtb protection remains poorly defined, previous studies have suggested that antibodies can contribute towards host defense. Thus, identifying the critical components in the antibody repertoires from immune, chronically exposed, healthy individuals represents an approach for identifying new determinants for natural protection. In this study, we performed a thorough analysis of the IgG/IgA memory B cell repertoire from occupationally exposed, immune volunteers. We detail the identification and selection of a human monoclonal antibody that exhibits protective activity in vivo and show that it targets a virulence factor LpqH. Intriguingly, protection in both human ex vivo and murine challenge experiments was isotype dependent, with most robust protection being mediated via IgG2 and IgA. These data have important implications for our understanding of natural mucosal immunity for Mtb and highlight a new target for future vaccine development.
Shortwave-infrared-light-emitting probes for the in vivo tracking of cancer vaccines and the elicited immune responses
Authors: Ren Fuqiang , Wang Feifei , Baghdasaryan Ani , Li Ying , Liu Haoran , Hsu RuSiou , Wang Chuchu , Li Jiachen , Zhong Yeteng , Salazar Felix , Xu Chun , Jiang Yingying , Ma Zhuoran , Zhu Guanzhou , Zhao Xiang , Wong Kerry Kaili , Willis Richard , Christopher Garcia K. , Wu Anna , Mellins Elizabeth , Dai Hongjie
Published: August 2023

Tracking and imaging immune cells in vivo non-invasively would offer insights into the immune responses induced by vaccination. Here we report a cancer vaccine consisting of polymer-coated NaErF4/NaYF4 core–shell down-conversion nanoparticles emitting luminescence in the near-infrared spectral window IIb (1,500–1,700 nm in wavelength) and with surface-conjugated antigen (ovalbumin) and electrostatically complexed adjuvant (class-B cytosine–phosphate–guanine). Whole-body wide-field imaging of the subcutaneously injected vaccine in tumour-bearing mice revealed rapid migration of the nanoparticles to lymph nodes through lymphatic vessels, with two doses of the vaccine leading to the complete eradication of pre-existing tumours and to the prophylactic inhibition of tumour growth. The abundance of antigen-specific CD8+ T lymphocytes in the tumour microenvironment correlated with vaccine efficacy, as we show via continuous-wave imaging and lifetime imaging of two intravenously injected near-infrared-emitting probes (CD8+-T-cell-targeted NaYbF4/NaYF4 nanoparticles and H-2Kb/ovalbumin257-264 tetramer/PbS/CdS quantum dots) excited at different wavelengths, and by volumetrically visualizing the three nanoparticles via light-sheet microscopy with structured illumination. Nanoparticle-based vaccines and imaging probes emitting infrared light may facilitate the design and optimization of immunotherapies.
Associations between extracurricular arts activities, school-based arts engagement, and subsequent externalising behaviours in the Early Childhood Longitudinal Study
Authors: Fluharty Meg E. , Bone Jessica K. , Bu Feifei , Sonke Jill K. , Fancourt Daisy , Paul Elise
Published: August 2023

Adolescent externalising behaviours are associated with numerous long-term negative outcomes, although most research is intervention-based as opposed to risk reduction. Arts engagement has been associated with numerous beneficial factors linked to externalising behaviours, yet direct evidence linking them in longitudinal studies is lacking. Data from the Early Childhood Longitudinal Study were used, with baseline at 5th grade and outcomes measured at 8th grade. Ordinary least squares (OLS) regression was used to examine individual-level associations between extracurricular and school-based arts engagement with externalising behaviours. OLS regression was also used to examine associations between school-level arts classes and facilities with an administrator-reported index of externalising behaviours in the school. All models were adjusted for sociodemographic factors. Individual-level analyses were clustered by school. At the individual level, engaging in a greater number of extracurricular arts activities was associated with fewer externalising behaviours, although there was no association for school-based arts engagement. There were no school-level associations between arts classes or adequate arts facilities and externalising behaviours. Our results suggest extracurricular arts activities may be beneficial in reducing the risk for externalising behaviours, but the relationship is seen at an individual-level of engagement rather than based on school-level provision or facilities.
Characterization of small abdominal aortic aneurysms' growth status using spatial pattern analysis of aneurismal hemodynamics
Authors: Rezaeitaleshmahalleh Mostafa , Lyu Zonghan , Mu Nan , Zhang Xiaoming , Rasmussen Todd E. , McBane Robert D. , Jiang Jingfeng
Published: August 2023

Aneurysm hemodynamics is known for its crucial role in the natural history of abdominal aortic aneurysms (AAA). However, there is a lack of well-developed quantitative assessments for disturbed aneurysmal flow. Therefore, we aimed to develop innovative metrics for quantifying disturbed aneurysm hemodynamics and evaluate their effectiveness in predicting the growth status of AAAs, specifically distinguishing between fast-growing and slowly-growing aneurysms. The growth status of aneurysms was classified as fast (≥ 5 mm/year) or slow (< 5 mm/year) based on serial imaging over time. We conducted computational fluid dynamics (CFD) simulations on 70 patients with computed tomography (CT) angiography findings. By converting hemodynamics data (wall shear stress and velocity) located on unstructured meshes into image-like data, we enabled spatial pattern analysis using Radiomics methods, referred to as "Hemodynamics-informatics" (i.e., using informatics techniques to analyze hemodynamic data). Our best model achieved an AUROC of 0.93 and an accuracy of 87.83%, correctly identifying 82.00% of fast-growing and 90.75% of slowly-growing AAAs. Compared with six classification methods, the models incorporating hemodynamics-informatics exhibited an average improvement of 8.40% in AUROC and 7.95% in total accuracy. These preliminary results indicate that hemodynamics-informatics correlates with AAAs' growth status and aids in assessing their progression.
Investigation of microstructural failure in the human cornea through fracture tests
Authors: Chittajallu Sai Naga Sri Harsha , Gururani Himanshu , Tse Kwong Ming , Rath Subha Narayan , Basu Sayan , Chinthapenta Viswanath
Published: August 2023

Fracture toughness of the human cornea is one of the critical parameters in suture-involved corneal surgeries and the development of bioengineered mimetics of the human cornea. The present article systematically studied the fracture characteristics of the human cornea to evaluate its resistance to tear in the opening (Mode-I) and trouser tear mode (Mode-III). Tear experiments reveal the dependency of the fracture behavior on the notch size and its location created in the corneal specimens. The findings indicate lamellar tear and collagen fiber pull-out as a failure mechanism in trouser tear and opening mode tests, respectively. Experimental results have shown a localized variation of tear behavior in trouser tear mode and indicated an increasing resistance to tear from the corneal center to the periphery. This article demonstrated the complications of evaluating fracture toughness in opening mode and showed that the limbus was weaker than the cornea and sclera against tearing. The overall outcomes of the present study help in designing experiments to understand the toughness of the diseased tissues, understanding the effect of the suturing location and donor placement, and creating numerical models to study parameters affecting corneal replacement surgery.
Analysis of subcellular RNA fractions demonstrates significant genetic regulation of gene expression in human brain post-transcriptionally
Authors: D’Sa Karishma , Guelfi Sebastian , Vandrovcova Jana , Reynolds Regina H. , Zhang David , Hardy John , Botía Juan A. , Weale Michael E. , Taliun Sarah A. Gagliano , Small Kerrin S. , Ryten Mina
Published: August 2023

Gaining insight into the genetic regulation of gene expression in human brain is key to the interpretation of genome-wide association studies for major neurological and neuropsychiatric diseases. Expression quantitative trait loci (eQTL) analyses have largely been used to achieve this, providing valuable insights into the genetic regulation of steady-state RNA in human brain, but not distinguishing between molecular processes regulating transcription and stability. RNA quantification within cellular fractions can disentangle these processes in cell types and tissues which are challenging to model in vitro. We investigated the underlying molecular processes driving the genetic regulation of gene expression specific to a cellular fraction using allele-specific expression (ASE). Applying ASE analysis to genomic and transcriptomic data from paired nuclear and cytoplasmic fractions of anterior prefrontal cortex, cerebellar cortex and putamen tissues from 4 post-mortem neuropathologically-confirmed control human brains, we demonstrate that a significant proportion of genetic regulation of gene expression occurs post-transcriptionally in the cytoplasm, with genes undergoing this form of regulation more likely to be synaptic. These findings have implications for understanding the structure of gene expression regulation in human brain, and importantly the interpretation of rapidly growing single-nucleus brain RNA-sequencing and eQTL datasets, where cytoplasm-specific regulatory events could be missed.
Unveiling the contourite depositional system in the Vema Fracture Zone (Central Atlantic)
Authors: Borisov Dmitrii G. , Frey Dmitry I. , Ivanova Elena V. , Dmitrevskiy Nikolay N. , Levchenko Oleg V. , Fomin Vladimir V. , Ligi Marco
Published: August 2023

A combination of a high sediment input and intense bottom currents often leads to the formation of contourites (sediments deposited or significantly reworked by bottom currents). Both of these components are present in the Vema Fracture Zone valley which is the most important passageway for the distribution of the Antarctic Bottom Water from the West to the North-East of the Atlantic. However, no contourite drifts, moats or contourite channels have been found in this region in more than half a century of research. The prevailing sedimentation paradigm postulates that turbidity currents have predominantly governed sedimentation in this region during the Pleistocene. This work describes the first example of contourite depositional system identified in the Vema Fracture Zone. The discovery was made through detailed high-resolution sub-bottom profiling, as well as numerical modeling and direct measurements of bottom current velocities. Such systems are exceptionally uncommon in fracture zones. This study highlights the importance of further research of contourites along the Vema Fracture Zone based on modern concepts of contourite and mixed depositional systems. The work also emphasizes the need to reevaluate the impact of bottom currents on sedimentation in this region, and particularly in the narrow segments of the fracture zone valley.
Apple metabolism under oxidative stress affects plant cell wall structure and mechanical properties
Authors: Pieczywek Piotr Mariusz , Leszczuk Agata , Kurzyna-Szklarek Magdalena , Cybulska Justyna , Jóźwiak Zbigniew , Rutkowski Krzysztof , Zdunek Artur
Published: August 2023

Several studies have shown beneficial effects of short exposure to oxidative stress on stored fruit, such as better preservation, increased firmness, preservation of polyphenolic compounds, and reduced risk of postharvest disorders such as bitter pit and superficial scald in apples. In this study the effect of short-term oxidative stress conditions on the physiology of apple fruit was investigated. Apple fruit of three cultivars were exposed to hypoxic storage conditions of various lengths to induce anaerobiosis. The response of apple fruit to short-term oxidative stress was evaluated by means of cell wall immunolabeling and atomic force microscopy. In addition, the antioxidant capacity and antioxidative activity of apple peels was assessed. Through various techniques, it was shown that short-term oxidative stress conditions promote specific enzymatic activity that induces changes in the cell wall of apple fruit cells. Exposure to short-term stress resulted in the remodeling of cell wall pectic polysaccharides, observed as an increase in the size and complexity of extracted oxalate pectin. Structural changes in the cell wall were followed by an increase in Young’s modulus (compressive stiffness of a solid material, expressed as the relationship between stress and axial strain) of the cell wall material. The data presented in this paper show in a novel way how storage under short-term oxidative stress modifies the cell wall of apple fruit at the molecular level.
Simulation and retrofitting of mass exchange networks in fertilizer plants
Authors: Shoaib Abeer M. , Atawia Amr A. , Hassanean Mohamed H. , Bhran Ahmed A.
Published: August 2023

This paper presents a simulation technique for optimizing a hydrogen integration network. By applying this technique, the minimum fresh hydrogen consumption can be determined. Quantitative relationship between sources and sinks streams were studied to get the flow rates of coupled source and sink, hydrogen consumption and hydrogen concentration in each stream. The introduced technique was applied on twelve sources and twelve sinks with any purity of hydrogen concentration. The hydrogen integration network was designed through two steps, the first step considers applying the data given in the LINGO program, while the second step considers using the LINGO results in the introduced excel program to obtain the retrofitted hydrogen integration network. The proposed technique was applied on several case studies to achieve the minimum consumption of fresh hydrogen for the obtained hydrogen integrated networks. The introduced model for simulation and retrofitting of mass exchange networks is easy to understand and the results showed that this model is more efficient for fertilizer, petrochemical and refinery plants.
Quantifying the spatial clustering characteristics of radiographic emphysema explains variability in pulmonary function
Authors: Vestal Brian E. , Ghosh Debashis , Estépar Raúl San José , Kechris Katerina , Fingerlin Tasha , Carlson Nichole E.
Published: August 2023

Quantitative assessment of emphysema in CT scans has mostly focused on calculating the percentage of lung tissue that is deemed abnormal based on a density thresholding strategy. However, this overall measure of disease burden discards virtually all the spatial information encoded in the scan that is implicitly utilized in a visual assessment. This simplification is likely grouping heterogenous disease patterns and is potentially obscuring clinical phenotypes and variable disease outcomes. To overcome this, several methods that attempt to quantify heterogeneity in emphysema distribution have been proposed. Here, we compare three of those: one based on estimating a power law for the size distribution of contiguous emphysema clusters, a second that looks at the number of emphysema-to-emphysema voxel adjacencies, and a third that applies a parametric spatial point process model to the emphysema voxel locations. This was done using data from 587 individuals from Phase 1 of COPDGene that had an inspiratory CT scan and plasma protein abundance measurements. The associations between these imaging metrics and visual assessment with clinical measures (FEV$$_1$$1, FEV$$_1$$1-FVC ratio, etc.) and plasma protein biomarker levels were evaluated using a variety of regression models. Our results showed that a selection of spatial measures had the ability to discern heterogeneous patterns among CTs that had similar emphysema burdens. The most informative quantitative measure, average cluster size from the point process model, showed much stronger associations with nearly every clinical outcome examined than existing CT-derived emphysema metrics and visual assessment. Moreover, approximately 75% more plasma biomarkers were found to be associated with an emphysema heterogeneity phenotype when accounting for spatial clustering measures than when they were excluded.
Consumer-grade UAV imagery facilitates semantic segmentation of species-rich savanna tree layers
Authors: Popp Manuel R. , Kalwij Jesse M.
Published: August 2023

Conventional forest inventories are labour-intensive. This limits the spatial extent and temporal frequency at which woody vegetation is usually monitored. Remote sensing provides cost-effective solutions that enable extensive spatial coverage and high sampling frequency. Recent studies indicate that convolutional neural networks (CNNs) can classify woody forests, plantations, and urban vegetation at the species level using consumer-grade unmanned aerial vehicle (UAV) imagery. However, whether such an approach is feasible in species-rich savanna ecosystems remains unclear. Here, we tested whether small data sets of high-resolution RGB orthomosaics suffice to train U-Net, FC-DenseNet, and DeepLabv3 + in semantic segmentation of savanna tree species. We trained these models on an 18-ha training area and explored whether models could be transferred across space and time. These models could recognise trees in adjacent (mean F1-Score = 0.68) and distant areas (mean F1-Score = 0.61) alike. Over time, a change in plant morphology resulted in a decrease of model accuracy. Our results show that CNN-based tree mapping using consumer-grade UAV imagery is possible in savanna ecosystems. Still, larger and more heterogeneous data sets can further improve model robustness to capture variation in plant morphology across time and space.
Development of a new chromatographic method for the determination of bakuchiol in cosmetic products
Authors: Kurpet Katarzyna , Chwatko Grażyna
Published: August 2023

The aim of this study was to develop and validate a simple, fast, and universal reversed-phase high-performance liquid chromatography method with fluorescence detection for the quantitation and evaluation of the stability of bakuchiol in cosmetic products. The analyte was extracted by tetrahydrofuran and separated on a Zorbax Eclipse Plus C18 analytical column (100 × 4.6 mm, 3.5 μm particle size) by a gradient elution program with the mobile phase consisting of water and acetonitrile and a flow rate of 1.0 mL min−1. The column temperature was held at 25 °C and fluorescence detection was performed at excitation and emission wavelengths of 264 and 338 nm, respectively. The stability studies of bakuchiol in cosmetic products were conducted under various conditions, including thermal and photolytic degradation, according to International Conference on Harmonization Guidelines. The calibration curve was linear in the range of 0.5–50.0 μg g−1 with a correlation coefficient greater than 0.9999. The limits of detection and quantification of the method were 0.1 and 0.5 μg g−1, respectively. Recovery values were in the range of 93.37–106.39 μg g−1, with relative standard deviations less than 6%. The method has been successfully applied to analyze different types of cosmetic products and proved to be reliable.
Sex differences in effect of patients-centered intervention on blood pressure in patients with hypertension
Authors: Kim Hyun-Sun , Kim Hyun-Jin
Published: August 2023

Hypertension exhibits sex-related differences in its causes, symptoms, and complications. In this study, we aimed to confirm the efficacy of hypertension intervention by applying a patient-centered approach based on sex differences. We enrolled 95 hypertensive patients in this prospective quasi-experimental pretest–posttest study. The patient-centered lifestyle intervention included penalized nutrition and exercise education in 30-min one-on-one sessions. Before the intervention, we conducted a pretest to evaluate physical examination, behavioral status, quality of life (QoL), blood pressure (BP) measurements, and routine blood tests. The same evaluations were conducted again in a posttest after 3 months. After 3 months of patient-centered intervention, all patients showed a decrease in systolic BP by 2.87 mmHg and diastolic BP by 1.04 mmHg. However, there was no significant difference in BP between men and women after the 3-month follow-up. There were differences in lipid profiles based on sex, with total cholesterol and low-density lipoprotein cholesterol levels decreasing in men and increasing in women. Behavioral and QoL scores improved after the intervention; however, there was no significant difference based on sex. A patient-centered lifestyle intervention for hypertensive patients can effectively lower BP, and sex-specific risk factors affecting its efficacy have been identified.
Origins of Southern Ocean warm sea surface temperature bias in CMIP6 models
Authors: Luo Fengyun , Ying Jun , Liu Tongya , Chen Dake
Published: August 2023

The warm sea surface temperature (SST) bias in the Southern Ocean (SO) has persisted in several generations of Coupled Model Inter-comparison Project (CMIP) models, yet the origins of such a bias remain controversial. Using the latest CMIP6 models, here we find that the warm SST bias in the SO features a zonally oriented non-uniform pattern mainly located between the northern and southern fronts of the Antarctic Circumpolar Current. This common bias is not likely to be caused by the biases in the surface heat flux or the strength of the Atlantic meridional overturning circulation (AMOC) — the two previously suggested sources of the SO bias based on CMIP5 models. Instead, it is linked to the robust common warm bias in the Northern Atlantic deep ocean through the AMOC transport as an adiabatic process. Our findings indicate that remote oceanic biases that are dynamically connected to the SO should be taken into account to reduce the SO SST bias in climate models.
MArVD2: a machine learning enhanced tool to discriminate between archaeal and bacterial viruses in viral datasets
Authors: Vik Dean , Bolduc Benjamin , Roux Simon , Sun Christine L , Pratama Akbar Adjie , Krupovic Mart , Sullivan Matthew B
Published: August 2023

Our knowledge of viral sequence space has exploded with advancing sequencing technologies and large-scale sampling and analytical efforts. Though archaea are important and abundant prokaryotes in many systems, our knowledge of archaeal viruses outside of extreme environments is limited. This largely stems from the lack of a robust, high-throughput, and systematic way to distinguish between bacterial and archaeal viruses in datasets of curated viruses. Here we upgrade our prior text-based tool (MArVD) via training and testing a random forest machine learning algorithm against a newly curated dataset of archaeal viruses. After optimization, MArVD2 presented a significant improvement over its predecessor in terms of scalability, usability, and flexibility, and will allow user-defined custom training datasets as archaeal virus discovery progresses. Benchmarking showed that a model trained with viral sequences from the hypersaline, marine, and hot spring environments correctly classified 85% of the archaeal viruses with a false detection rate below 2% using a random forest prediction threshold of 80% in a separate benchmarking dataset from the same habitats.
Application of surface-enhanced Raman scattering to qualitative and quantitative analysis of arsenic species
Authors: Nurmamat Xamsiya , Zhao Zhixi , Ablat Hadiya , Ma Xiaoyan , Xie Qingqing , Zhang Ziqi , Tian Jianrong , Jia Huiying , Wang Fupeng
Published: August 2023

Given the toxicity of arsenic, there is an urgent need for the development of efficient and reliable detection systems.
A high-performance fluorescent and ratiometric colorimetric detection of Cu2+ in practice
Authors: Hu Lei , Sun Chengjie , Cheng Renxiang , Gao Xinhong , Zhou Jiayi , Wang Yi , Jiang Ruping , Zhu Xiao , Liu Peng , Yan Zhengquan
Published: August 2023

D–π–A–π–D conjugated 3,5-di-(2-hydroxyl naphthaldehyde)-iminyl triazole (HNIT) was developed for dual-mode fluorescent and ratio-metric colorimetric detection of Cu2+ efficiently.
In silico screening of nanoporous materials for urea removal in hemodialysis applications
Authors: Fabiani Thomas , Ricci Eleonora , Boi Cristiana , Dimartino Simone , De Angelis Maria Grazia
Published: August 2023

A molecular computational pipeline is designed to screen 560 porous crystals for urea removal from water to build a wearable artificial kidney. Calculations indicate that COFs functionalised with fluorine are the best candidates.
Aqueous growth of titania subnanoparticles: an understanding of the ultrasmall visible-light-absorbing unit of (TiO2)8(H2O)16
Authors: Wu Jiawei , Hu P. , Wang Haifeng
Published: August 2023

In the Ti(OH)4/H2O hydrothermal system, Ti(OH)4·2H2O serving as the hydrated monomer undergoes planar-to-tubular-to-spherical multistage growth and the subnanoparticle configurations in the early growth stage are uncovered.
Photocatalytic selective oxidation of biomass-derived 5-hydroxymethylfurfural to 2,5-diformylfuran under ambient conditions over CdIn2S4/g-C3N4 heterojunctions
Authors: Cui Jifang , Yu Zhihao , Sun Linhao , Zhang Ming , Guo Mengyan , Xiong Jian , Qiao Yina , Zhang Rui , Lu Xuebin
Published: August 2023

In this paper, a type II CdIn2S4/g-C3N4 heterostructure was applied to the selective photo-oxidation of HMF to DFF. The electrons and holes can be separated through the electron transfer of the heterojunction to improve the catalytic efficiency.
Unusual crystal structure evolution, multiple phase boundaries and phase coexistence in (1 −x)Ba(Cu1/3Nb2/3)O3-(x)PbTiO3perovskite solid solution
Authors: Prajapati Krishna , Singh Akhilesh Kumar
Published: August 2023

(a) HR-XRD pattern of (1 −x)Ba(Cu1/3Nb2/3)O3-(x)PbTiO3perovskite solid solution for the composition range 0 ≤x≤ 1; magnified view of pseudo-cubic (b) (111) and (c) (200) reflection for 0.55 ≤x≤ 0.975.
Luminescence and energy transfer performances of Tb3+/Mn4+ co-doped Sr2LuTaO6 double-perovskite phosphors for a highly sensitive optical thermometer
Authors: Zhang Yuhong , Sun Bo , Liu Jian , Zhang Ziyi , Liu Hang
Published: August 2023

A series of Tb3+/Mn4+ co-doped double-perovskite oxides Sr2LuTaO6 (SLT) phosphors are synthesized by a solid-state method.
Preferred planar crystal growth and uniform solid electrolyte interfaces enabled by anion receptors for stable aqueous Zn batteries
Authors: Wang Xinyu , Ying Yiran , Li Xiaomin , Chen Shengmei , Gao Guowei , Huang Haitao , Ma Longtao
Published: August 2023

The conventional H2O network is linked by hydrogen bonds. After adding IU molecules, the hydrogen bond network is broken by the strong interaction between IU and water.
Encapsulation of fish oil and essential fatty acids by spray drying
Authors: Sultana Afroza , Adachi Shuji , Yoshii Hidefumi
Published: August 2023

PVs of the encapsulated oils were one-order lower than those of surface oil. Surface oil content significantly affected the stability of functional food oils such as fish oil.
Theobromine supplementation in combination with a low-calorie diet improves cardiovascular risk factors in overweight and obese subjects with metabolic syndrome: a randomized controlled trial
Authors: Sharifi-Zahabi Elham , Rezvani Nayebali , Hajizadeh-Sharafabad Fatemeh , Hosseini-Baharanchi Fatemeh Sadat , Shidfar Farzad , Rahimi Mehrali
Published: August 2023

The beneficial effects of theobromine (TB) on obesity and features of metabolic syndrome (MetS) have been reported in several studies.
Hyperspectral mapping of nanoscale photophysics and degradation processes in hybrid perovskite at the single grain level
Authors: Taylor Ethan J. , Iyer Vasudevan , Dhami Bibek S. , Klein Clay , Lawrie Benjamin J. , Appavoo Kannatassen
Published: August 2023

Cathodoluminescence microscopy coupled with unsupervised machine learning is employed to quantify how nanoscale heterogeneity builds up globally in large morphological grains of hybrid perovskite.
Synergetic role of copper-modified phosphotungstic acid supported on titania catalysts for the conversion of bio-glycerol to glycerol carbonate
Authors: Viswanadham Balaga , Dasireddy Venkata D. B. C. , Putrakumar Balla
Published: August 2023

An efficent heterogeneous bi-functional Cu-tuned phostotunstic acid reusable catalyst is developed for the selctive carbonylation of biomass-derived glycerol for boosted stable activity and higher selectivity of glycerol carbonate.
Polymeric architecture as a tool for controlling the reactivity of palladium(ii) loaded nanoreactors
Authors: Wagle Shreyas S. , Rathee Parul , Vippala Krishna , Tevet Shahar , Gordin Alexander , Dobrovetsky Roman , Amir Roey J.
Published: August 2023

The architecture of the hydrophobic dendritic block in linear-dendron amphiphiles is employed as a means to control the reactivity of self-assembled micellar nanoreactors.
Considerable slowdown of short DNA fragment translocation across a protein nanopore using pH-induced generation of enthalpic traps inside the permeation pathway
Authors: Mereuta Loredana , Asandei Alina , Andricioaei Ioan , Park Jonggwan , Park Yoonkyung , Luchian Tudor
Published: August 2023

At acidic vs. neutral pH, the α-HL nanopore facillitates electrostatic anchoring of captured ssDNAs, leading to a dramatic increase of the translocation time. This effect is side invariant and sensitive to the ionic strength and ssDNA contour length.
Recent advances in designing solid-state electrolytes to reduce the working temperature of lithium batteries
Authors: Yao Zhicheng , Wang Yutong , Wan Shuang , Ma Weiting , Rong Junfeng , Xiao Ying , Hou Guolin , Chen Shimou
Published: August 2023

This review paper summarizes the current methods to reduce the operating temperature of solid-state lithium batteries.
Optimization of the photocatalytic degradation of phenol using superparamagnetic iron oxide (Fe3O4) nanoparticles in aqueous solutions
Authors: Bazrafshan Edris , Mohammadi Leili , Zarei Amin Allah , Mosafer Jafar , Zafar Muhammad Nadeem , Dargahi Abdollah
Published: August 2023

The photocatalytic process was optimized using RSM-CCD. Considering the design, optimum pH conditions were obtained as 3, phenol concentration as 80 mg l−1, UV/SPIONs ratio as 3, and contact time as 60 min, leading to 94.9% phenol removal.
New supramolecules of bis(acylhydrazones)-linked bisphenol sulfide for Alzheimer's: targeting cholinesterases by in vitro and in silico approaches
Authors: Ibrahim Muhammad , Ali Mumtaz , Halim Sobia Ahsan , Latif Abdul , Ahmad Manzoor , Ali Sajid , SameeUllah  , Khan Ajmal , Rebierio Alany Ingrido , Uddin Jalal , Al-Harrasi Ahmed
Published: August 2023

In current research, two functional components, i.e., hydrazone and bisphenol sulfide were combined to get useful supramolecules in medicinal chemistry.
Modified graphene foam as a high-performance catalyst for oxygen reduction reaction
Authors: Skorupska Malgorzata , Ilnicka Anna , Lukaszewicz Jerzy P.
Published: August 2023

The nitrogen-doped materials obtained from natural polymers of gelatine and chitosan direct four-electron oxygen reduction pathway in alkaline medium comparable to commercial platinum-based carbon material.
Dimeric tetrabromo-p-quinodimethanes: synthesis and structural/electronic properties
Authors: Vicent Diego J. , Pérez-Escribano Manuel , Cárdenas-Valdivia Abel , Barragán Ana , Calbo Joaquín , Urgel José I. , Écija David , Santos José , Casado Juan , Ortí Enrique , Martín Nazario
Published: August 2023

High bromine containing dimers of tetrabromoanthra-p-quinodimethane as appealing building-blocks for organic synthesis. Thorough study of their isomerism and optoelectronic properties.
Continuous addition kinetic elucidation: catalyst and reactant order, rate constant, and poisoning from a single experiment
Authors: Williams Peter J. H. , Killeen Charles , Chagunda Ian C. , Henderson Brett , Donnecke Sofia , Munro Wil , Sidhu Jaspreet , Kraft Denaisha , Harrington David A. , McIndoe J. Scott
Published: August 2023

CAKE involves continuous injection of a catalyst to determine multiple kinetic parameters, including catalyst order, from one experiment, thus reducing the workload and avoiding the pot-to-pot reproducibility issues caused by catalyst poisoning.
Direct decarboxylative Giese amidations: photocatalytic vs. metal- and light-free
Authors: Kitcatt David M. , Scott Katie A. , Rongione Elena , Nicolle Simon , Lee Ai-Lan
Published: August 2023

A direct decarboxylative Giese amidation reaction from oxamic acids has been achieved, allowing easy access to previously inaccessible 1,4-difunctionalised compounds.
Mn(iii)-mediated C–P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence
Authors: Yang Bo , Yan Suqiong , Li Chengbo , Ma Hui , Feng Fanda , Zhang Yuan , Huang Wei
Published: August 2023

Innovative Mn(iii)-mediated intramolecular C–P bond activation and annulation in diphosphines via a radical passway were established and understood. All ionic products had excellent fluorescence and circularly polarized luminescence activity.
Naphthopyran molecular switches and their emergent mechanochemical reactivity
Authors: McFadden Molly E. , Barber Ross W. , Overholts Anna C. , Robb Maxwell J.
Published: August 2023

Naphthopyran molecular switches undergo a ring-opening reaction upon external stimulation to generate colored merocyanine dyes. We highlight the features of naphthopyran that render it a powerful platform for designing mechanochromic materials.
Sustainable approach for the synthesis of chiral β-aminoketones using an encapsulated chiral Zn(ii)–salen complex
Authors: Lakhani Pratikkumar , Kane Sanjeev , Srivastava Himanshu , Goutam U. K. , Modi Chetan K.
Published: August 2023

To enable sustainable chemical transformations, it is imperative to adopt ecofriendly strategies aligned with economic growth and environmental preservation.