bluuebunny/crossref_metadata_2025 huggingface dataset:
Dying in self-defence: a comparative overview of immunogenic cell death signalling in animals and plants
Authors: Maekawa Takaki , Kashkar Hamid , Coll Núria S.
Published: October 2022

Host organisms utilise a range of genetically encoded cell death programmes in response to pathogen challenge. Host cell death can restrict pathogen proliferation by depleting their replicative niche and at the same time dying cells can alert neighbouring cells to prepare environmental conditions favouring future pathogen attacks. As expected, many pathogenic microbes have strategies to subvert host cell death to promote their virulence. The structural and lifestyle differences between animals and plants have been anticipated to shape very different host defence mechanisms. However, an emerging body of evidence indicates that several components of the host–pathogen interaction machinery are shared between the two major branches of eukaryotic life. Many proteins involved in cell death execution or cell death-associated immunity in plants and animals exert direct effects on endomembrane and loss of membrane integrity has been proposed to explain the potential immunogenicity of dying cells. In this review we aim to provide a comparative view on how cell death processes are linked to anti-microbial defence mechanisms in plants and animals and how pathogens interfere with these cell death programmes. In comparison to the several well-defined cell death programmes in animals, immunogenic cell death in plant defence is broadly defined as the hypersensitive response. Our comparative overview may help discerning whether specific types of immunogenic cell death exist in plants, and correspondingly, it may provide new hints for previously undiscovered cell death mechanism in animals.
Single-cell sequencing resolves the landscape of immune cells and regulatory mechanisms in HIV-infected immune non-responders
Authors: Li Haiyu , Tang Yongyao , Wang Yujing , Li Yue , Yang Yi , Liao Kui , Song Fangzhou , Deng Shixiong , Chen Yaokai
Published: October 2022

Immune non-responder after highly active antiretroviral therapy (HAART) is the main cause of opportunistic infections and high mortality in AIDS patients, but the mechanism underlying immune reconstitution failure is poorly understood. Here, we performed scRNA-seq, and scATAC-seq analysis of peripheral blood mononuclear cells (PBMCs) derived from immune non-responder (INR) and responder (IR) HIV-1-infected subjects. We found low expression of mucosal-associated invariant T (MAIT) cells in INRs, which exhibited transcriptional profiles associated with impaired mitochondrial function and apoptosis signaling. Single-cell assays for transposase-accessible chromatin (scATAC-seq) and flow cytometry revealed diminished mitochondrial fitness in MAIT cells from INRs, and MAIT had low expression of transcription factor A for mitochondria (TFAM) and peroxisomal proliferator-activated receptor alpha (PPARA). These findings demonstrate that restoring mitochondrial function could modulate the immune dysfunction characteristic of MAIT against bacterial co-infections in INRs subjects.
Applying the Clinician-reported Genetic testing Utility InDEx (C-GUIDE) to genome sequencing: further evidence of validity
Authors: Hayeems Robin Z. , Luca Stephanie , Hurst Anna C. E. , Cochran Meagan , Owens Chelsea , Hossain Alomgir , Chad Lauren , Meyn M. Stephen , Pullenayegum Eleanor , Ungar Wendy J. , Bick David
Published: October 2022

Genome sequencing (GS) outperforms other rare disease diagnostics, but standardized approaches to assessing its clinical utility are limited. This study assessed the validity of the Clinician-reported Genetic testing Utility InDEx (C-GUIDE), a novel tool for assessing the utility of genetic testing from a clinician’s perspective, for GS. C-GUIDE ratings were completed for patients who received GS results. For each patient, total C-GUIDE and single item global scores were calculated. Construct validity was assessed using linear regression to determine the association between C-GUIDE total and global item scores and measure the effects of potential explanatory variables. Ratings were completed for 67 pediatric and 36 adult patients. GS indications were neurological for 70.9% and results were diagnostic for 28.2%. When the C-GUIDE assessed primary (PV), secondary (SV), and pharmacogenomic (PGx) variants, on average, a one unit increase in the global item score was associated with an increase of 7.3 in the C-GUIDE score (p < 0.05). Diagnostic results were associated with an increase in C-GUIDE score of 5.0 compared to non-diagnostic results (p < 0.05) and an increase of one SV was associated with an increase of 2.5 (p < 0.05). For children, decreased age of one year was associated with an increase in C-GUIDE score of 0.3 (p < 0.05). Findings provide evidence that C-GUIDE measures the construct of clinical utility in pediatric and adult rare disease populations and is sensitive to changes in utility related to variant type. Quantifying the clinical utility of GS using C-GUIDE can inform efforts to optimize its use in patient care.
Identification of distinct functional thymic programming of fetal and pediatric human γδ thymocytes via single-cell analysis
Authors: Sanchez Sanchez Guillem , Papadopoulou Maria , Azouz Abdulkader , Tafesse Yohannes , Mishra Archita , Chan Jerry K. Y. , Fan Yiping , Verdebout Isoline , Porco Silvana , Libert Frédérick , Ginhoux Florent , Vandekerckhove Bart , Goriely Stanislas , Vermijlen David
Published: October 2022

Developmental thymic waves of innate-like and adaptive-like γδ T cells have been described, but the current understanding of γδ T cell development is mainly limited to mouse models. Here, we combine single cell (sc) RNA gene expression and sc γδ T cell receptor (TCR) sequencing on fetal and pediatric γδ thymocytes in order to understand the ontogeny of human γδ T cells. Mature fetal γδ thymocytes (both the Vγ9Vδ2 and nonVγ9Vδ2 subsets) are committed to either a type 1, a type 3 or a type 2-like effector fate displaying a wave-like pattern depending on gestation age, and are enriched for public CDR3 features upon maturation. Strikingly, these effector modules express different CDR3 sequences and follow distinct developmental trajectories. In contrast, the pediatric thymus generates only a small effector subset that is highly biased towards Vγ9Vδ2 TCR usage and shows a mixed type 1/type 3 effector profile. Thus, our combined dataset of gene expression and detailed TCR information at the single-cell level identifies distinct functional thymic programming of γδ T cell immunity in human.
Spatial coalescent connectivity through multi-generation dispersal modelling predicts gene flow across marine phyla
Authors: Legrand Térence , Chenuil Anne , Ser-Giacomi Enrico , Arnaud-Haond Sophie , Bierne Nicolas , Rossi Vincent
Published: October 2022

Gene flow governs the contemporary spatial structure and dynamic of populations as well as their long-term evolution. For species that disperse using atmospheric or oceanic flows, biophysical models allow predicting the migratory component of gene flow, which facilitates the interpretation of broad-scale spatial structure inferred from observed allele frequencies among populations. However, frequent mismatches between dispersal estimates and observed genetic diversity prevent an operational synthesis for eco-evolutionary projections. Here we use an extensive compilation of 58 population genetic studies of 47 phylogenetically divergent marine sedentary species over the Mediterranean basin to assess how genetic differentiation is predicted by Isolation-By-Distance, single-generation dispersal and multi-generation dispersal models. Unlike previous approaches, the latter unveil explicit parents-to-offspring links (filial connectivity) and implicit links among siblings from a common ancestor (coalescent connectivity). We find that almost 70 % of observed variance in genetic differentiation is explained by coalescent connectivity over multiple generations, significantly outperforming other models. Our results offer great promises to untangle the eco-evolutionary forces that shape sedentary population structure and to anticipate climate-driven redistributions, altogether improving spatial conservation planning.
Circum-Arctic release of terrestrial carbon varies between regions and sources
Authors: Martens Jannik , Wild Birgit , Semiletov Igor , Dudarev Oleg V. , Gustafsson Örjan
Published: October 2022

Arctic change is expected to destabilize terrestrial carbon (terrOC) in soils and permafrost, leading to fluvial release, greenhouse gas emission and climate feedback. However, landscape heterogeneity and location-specific observations complicate large-scale assessments of terrOC mobilization. Here we reveal differences in terrOC release, deduced from the Circum-Arctic Sediment Carbon Database (CASCADE) using source-diagnostic (δ13C-Δ14C) and carbon accumulation data. The results show five-times larger terrOC release from the Eurasian than from the American Arctic. Most of the circum-Arctic terrOC originates from near-surface soils (61%); 30% stems from Pleistocene-age permafrost. TerrOC translocation, relative to land-based terrOC stocks, varies by a factor of five between circum-Arctic regions. Shelf seas with higher relative terrOC translocation follow the spatial pattern of recent Arctic warming, while such with lower translocation reflect long-distance lateral transport with efficient remineralization of terrOC. This study provides a receptor-based perspective for how terrOC release varies across the circum-Arctic.
Orthogonally-tunable and ER-targeting fluorophores detect avian influenza virus early infection
Authors: Kang Taewon , Haque Md Mamunul , Lee Boran , Hong Kyung Tae , Hong Seong Cheol , Kim Younghun , Lee Jesang , Lee Jun-Seok , Lee Dongwhan
Published: October 2022

Cell-based assays can monitor virus infection at a single-cell level with high sensitivity and cost-efficiency. For this purpose, it is crucial to develop molecular probes that respond selectively to physiological changes in live cells. We report stimuli-responsive light-emitters built on a T-shaped benzimidazole platform, and consecutive borylation reactions to produce a library of homologs displaying systematic changes in fluorescence quantum yield and environmental sensitivity. We find that certain fluorophores localize selectively at the endoplasmic reticulum, and interact with proteins involved in the stress signaling pathways. Notably, the mono-borylated compound responds selectively to the stress conditions by enhancing fluorescence, and detects avian influenza virus infection at the single-cell level. Our findings demonstrate the unprecedented practical utility of the stress-responsive molecular probes to differentiate cellular states for early diagnosis.
The lysosomal transporter TAPL has a dual role as peptide translocator and phosphatidylserine floppase
Authors: Park Jun Gyou , Kim Songwon , Jang Eunhong , Choi Seung Hun , Han Hyunsu , Ju Seulgi , Kim Ji Won , Min Da Sol , Jin Mi Sun
Published: October 2022

TAPL is a lysosomal ATP-binding cassette transporter that translocates a broad spectrum of polypeptides from the cytoplasm into the lysosomal lumen. Here we report that, in addition to its well-known role as a peptide translocator, TAPL exhibits an ATP-dependent phosphatidylserine floppase activity that is the possible cause of its high basal ATPase activity and of the lack of coupling between ATP hydrolysis and peptide efflux. We also present the cryo-EM structures of mouse TAPL complexed with (i) phospholipid, (ii) cholesteryl hemisuccinate (CHS) and 9-mer peptide, and (iii) ADP·BeF3. The inward-facing structure reveals that F449 protrudes into the cylindrical transport pathway and divides it into a large hydrophilic central cavity and a sizable hydrophobic upper cavity. In the structure, the peptide binds to TAPL in horizontally-stretched fashion within the central cavity, while lipid molecules plug vertically into the upper cavity. Together, our results suggest that TAPL uses different mechanisms to function as a peptide translocase and a phosphatidylserine floppase.
Single trusted qubit is necessary and sufficient for quantum realization of extremal no-signaling correlations
Authors: Ramanathan Ravishankar , Banacki Michał , Ravell Rodríguez Ricard , Horodecki Paweł
Published: October 2022

The problem of achieving security of device-independent (or semi-device-independent) cryptography (for quantum key distribution and randomness generation) against the most general no-signaling adversaries has remained open. It has been recognized that the realization of extremal no-signaling non-local boxes (or extremal no-signaling non-local assemblages) could provide a route toward devising such highly secure protocols. We first prove a general no-go result that in the Bell non-locality scenario, quantum theory does not allow us to realize any extremal no-signaling non-local box, even if scenarios of arbitrary sequential measurements are considered. On the other hand, we secondly prove a positive result showing that a one-sided device-independent scenario where a single party trusts their qubit system is already sufficient for quantum theory to realize a self-testing extremal non-local point within the set of no-signaling assemblages.
Needle-free, spirulina-produced Plasmodium falciparum circumsporozoite vaccination provides sterile protection against pre-erythrocytic malaria in mice
Authors: Saveria Tracy , Parthiban Chaitra , Seilie Annette M. , Brady Colin , Martinez Anissa , Manocha Ridhima , Afreen Esha , Zhao Hui , Krzeszowski Ashley , Ferrara Jeremy , Paddock Troy , Roberts James , Stone Brad C. , Tasch Michael , Murphy Sean C.
Published: October 2022

Antibodies against the Plasmodium falciparum circumsporozoite protein (PfCSP) can block hepatocyte infection by sporozoites and protect against malaria. Needle-free vaccination strategies are desirable, yet most PfCSP-targeted vaccines like RTS,S require needle-based administration. Here, we evaluated the edible algae, Arthrospira platensis (commonly called ‘spirulina’) as a malaria vaccine platform. Spirulina were genetically engineered to express virus-like particles (VLPs) consisting of the woodchuck hepatitis B core capsid protein (WHcAg) displaying a (NANP)15 PfCSP antigen on its surface. PfCSP-spirulina administered to mice intranasally followed by oral PfCSP-spirulina boosters resulted in a strong, systemic anti-PfCSP immune response that was protective against subcutaneous challenge with PfCSP-expressing P. yoelii. Unlike male mice, female mice did not require Montanide adjuvant to reach high antibody titers or protection. The successful use of spirulina as a vaccine delivery system warrants further development of spirulina-based vaccines as a useful tool in addressing malaria and other diseases of global health importance.
A comprehensive database of amphibian heat tolerance
Authors: Pottier Patrice , Lin Hsien-Yung , Oh Rachel R. Y. , Pollo Pietro , Rivera-Villanueva A. Nayelli , Valdebenito José O. , Yang Yefeng , Amano Tatsuya , Burke Samantha , Drobniak Szymon M. , Nakagawa Shinichi
Published: October 2022

Rising temperatures represent a significant threat to the survival of ectothermic animals. As such, upper thermal limits represent an important trait to assess the vulnerability of ectotherms to changing temperatures. For instance, one may use upper thermal limits to estimate current and future thermal safety margins (i.e., the proximity of upper thermal limits to experienced temperatures), use this trait together with other physiological traits in species distribution models, or investigate the plasticity and evolvability of these limits for buffering the impacts of changing temperatures. While datasets on thermal tolerance limits have been previously compiled, they sometimes report single estimates for a given species, do not present measures of data dispersion, and are biased towards certain parts of the globe. To overcome these limitations, we systematically searched the literature in seven languages to produce the most comprehensive dataset to date on amphibian upper thermal limits, spanning 3,095 estimates across 616 species. This resource will represent a useful tool to evaluate the vulnerability of amphibians, and ectotherms more generally, to changing temperatures.
A whole-body FDG-PET/CT Dataset with manually annotated Tumor Lesions
Authors: Gatidis Sergios , Hepp Tobias , Früh Marcel , La Fougère Christian , Nikolaou Konstantin , Pfannenberg Christina , Schölkopf Bernhard , Küstner Thomas , Cyran Clemens , Rubin Daniel
Published: October 2022

We describe a publicly available dataset of annotated Positron Emission Tomography/Computed Tomography (PET/CT) studies. 1014 whole body Fluorodeoxyglucose (FDG)-PET/CT datasets (501 studies of patients with malignant lymphoma, melanoma and non small cell lung cancer (NSCLC) and 513 studies without PET-positive malignant lesions (negative controls)) acquired between 2014 and 2018 were included. All examinations were acquired on a single, state-of-the-art PET/CT scanner. The imaging protocol consisted of a whole-body FDG-PET acquisition and a corresponding diagnostic CT scan. All FDG-avid lesions identified as malignant based on the clinical PET/CT report were manually segmented on PET images in a slice-per-slice (3D) manner. We provide the anonymized original DICOM files of all studies as well as the corresponding DICOM segmentation masks. In addition, we provide scripts for image processing and conversion to different file formats (NIfTI, mha, hdf5). Primary diagnosis, age and sex are provided as non-imaging information. We demonstrate how this dataset can be used for deep learning-based automated analysis of PET/CT data and provide the trained deep learning model.
Toward practical transparent verifiable and long-term reproducible research using Guix
Authors: Vallet Nicolas , Michonneau David , Tournier Simon
Published: October 2022

Reproducibility crisis urge scientists to promote transparency which allows peers to draw same conclusions after performing identical steps from hypothesis to results. Growing resources are developed to open the access to methods, data and source codes. Still, the computational environment, an interface between data and source code running analyses, is not addressed. Environments are usually described with software and library names associated with version labels or provided as an opaque container image. This is not enough to describe the complexity of the dependencies on which they rely to operate on. We describe this issue and illustrate how open tools like Guix can be used by any scientist to share their environment and allow peers to reproduce it. Some steps of research might not be fully reproducible, but at least, transparency for computation is technically addressable. These tools should be considered by scientists willing to promote transparency and open science.
Absence of oxygen effect on microbial structure and methane production during drying and rewetting events
Authors: Liu Tong , Li Xiaoxiao , Yekta Sepehr Shakeri , Björn Annika , Mu Bo-Zhong , Masuda Laura Shizue Moriga , Schnürer Anna , Enrich-Prast Alex
Published: October 2022

Natural environments with frequent drainage experience drying and rewetting events that impose fluctuations in water availability and oxygen exposure. These relatively dramatic cycles profoundly impact microbial activity in the environment and subsequent emissions of methane and carbon dioxide. In this study, we mimicked drying and rewetting events by submitting methanogenic communities from strictly anaerobic environments (anaerobic digestors) with different phylogenetic structures to consecutive desiccation events under aerobic (air) and anaerobic (nitrogen) conditions followed by rewetting. We showed that methane production quickly recovered after each rewetting, and surprisingly, no significant difference was observed between the effects of the aerobic or anaerobic desiccation events. There was a slight change in the microbial community structure and a decrease in methane production rates after consecutive drying and rewetting, which can be attributed to a depletion of the pool of available organic matter or the inhibition of the methanogenic communities. These observations indicate that in comparison to the drying and rewetting events or oxygen exposure, the initial phylogenetic structure and the organic matter quantity and quality exhibited a stronger influence on the methanogenic communities and overall microbial community responses. These results change the current paradigm of the sensitivity of strict anaerobic microorganisms to oxygen exposure.
Saltwater intrusion indirectly intensifies Phragmites australis invasion via alteration of soil microbes
Authors: Schroeder Carolyn S. , Kulick Nelle K. , Farrer Emily C.
Published: October 2022

Although global change clearly influences species invasion, the exact mechanisms by which global change either intensifies or limits invasive spread remain elusive. Global change can affect invasion directly by altering abiotic conditions, as well as indirectly by altering the abundance and composition of interacting species. Here we examine the relative impacts of direct effects of saltwater intrusion and indirect effects via microbial interactions on the expansion of a model invasive plant species, Phragmites australis, in freshwater marshes of coastal Louisiana. Using a mesocosm experiment, we found that overall salinity strongly increases invasion, but the direction and magnitude of direct and indirect effects were context dependent. Indirect effects of salinity, via alterations in soil microbial composition, increased invasive performance when grown in monoculture and decreased native performance in native-only communities. However, when P. australis and natives were grown together, microbial indirect effects were not important; rather the salinity treatment increased P. australis invasion through reduction of native plant growth. Results suggest that salinity-induced alteration of soil microbes will increase susceptibility of native communities to invasion and promote P. australis monoculture expansion in later stages of invasion; whereas non-microbial effects of salinity are more important in early stages of invasion when P. australis is competing with native species. More broadly, these results underscore the importance of considering microbially-mediated indirect effects of global change in investigating the long-term outcomes of plant species interactions.
Magnetofection approach for the transformation of okra using green iron nanoparticles
Authors: Farooq Naila , Ather Laraib , Shafiq Muhammad , Nawaz-ul-Rehman Muhammad Shah , Haseeb Muhammad , Anjum Tehmina , Abbas Qamar , Hussain Mujahid , Ali Numan , Asad Abbas Syed Agha Armaghan , Mushtaq Sehrish , Haider Muhammad Saleem , Sadiq Saleha , Shahid Muhammad Adnan
Published: October 2022

Climate change, pesticide resistance, and the need for developing new plant varieties have galvanized biotechnologists to find new solutions in order to produce transgenic plants. Over the last decade scientists are working on green metallic nanoparticles to develop DNA delivery systems for plants. In the current study, green Iron nanoparticles were synthesized using leaf extract of Camellia sinensis (green tea) and Iron Chloride (FeCl3), the characterization and Confirmation was done using UV–VIS Spectroscopy, FTIR, SEM, and TEM. Using these nanoparticles, a novel method of gene transformation in okra plants was developed, with a combination of different Magnetofection factors. Maximum gene transformation efficiency was observed at the DNA to Iron-nanoparticles ratio of 1:20, by rotation of mixture (Plasmid DNA, Iron-nanoparticles, and seed embryo) at 800 rpm for 5 h. Using this approach, the transformation of the GFP (green fluorescent protein) gene was successfully carried out in Abelmoschus esculentus (Okra plant). The DNA transformation was confirmed by observing the expression of transgene GFP via Laser Scanning Confocal Microscope (LSCM) and PCR. This method is highly economical, adaptable, genotype independent, eco-friendly, and time-saving as well. We infer that this approach can be a potential solution to combat the yield and immunity challenges of plants against pathogens.
Mid-infrared electronic wavelength tuning through intracavity difference-frequency mixing in Cr:ZnSe lasers
Authors: Yumoto Masaki , Miyata Kentaro , Kawata Yasushi , Wada Satoshi
Published: October 2022

Mid-infrared tunable coherent light sources are used in various laser applications, such as trace gas detection, laser processing, and biomedical diagnostics. This study demonstrates mid-infrared generation in the 8.3–11 µm (i.e., 900–1200 cm−1) spectral range by configuring intracavity difference-frequency generation (DFG) using ZnGeP2 (ZGP) in an electronically tuned Cr:ZnSe laser. The broad tunability is achieved with the maximum pulse energies exceeding 100 μJ by combining the electronic wavelength tuning with sligh angle adjustments (Δθ < 0.5°) of ZGP under the spectral noncritical phase-matching condition of the nonlinear material. The proposed DFG method is generalized to give access to a significant fraction of the molecular fingerprint region by utilizing selenide compounds (e.g., AgGaSe2, CdSe) in addition to ZGP, revealing the remarkable potential of ultrabroadband electronic mid-infrared scanning for numerous spectroscopic applications.
NiH-catalyzed C(sp3)–Si coupling of alkenes with vinyl chlorosilanes
Authors: Cui Huanhuan , Niu Changhao , Xing Mimi , Zhang Chun
Published: October 2022

A novel NiH-catalyzed highly selective cross-coupling of alkenes with vinyl chlorosilanes is developed. Using this practical chemistry, various benzyl organosilanes could be produced with good functional group tolerance.
Solid electrolytes for solid-state Li/Na–metal batteries: inorganic, composite and polymeric materials
Authors: Song Shufeng , Hu Ning , Lu Li
Published: October 2022

This feature article presents the electrolyte synthetic approaches, design strategies, and merging materials that may address the critical issues of solid electrolytes for solid-state Li/Na–metal batteries.
A proof-of-concept study of the secondary structure of influenza A, B M2 and MERS- and SARS-CoV E transmembrane peptides using folding molecular dynamics simulations in a membrane mimetic solvent
Authors: Kolocouris Antonios , Arkin Isaiah , Glykos Nicholas M.
Published: October 2022

Here, we have carried out a proof-of-concept molecular dynamics (MD) simulation with adaptive tempering in a membrane mimetic environment to study the folding of single-pass membrane peptides.
Enhancement of the power factor of SnSe by adjusting the crystal and energy band structures
Authors: Li Chunhui , Yuan Hang , Wang Yanfang , Liu Hongquan
Published: October 2022

A high power factor 686 μW m−1 K−2 at 773 K for the SnSe sample origins from temperature dependence of energy valley degeneration and m*DOSvia Ab initio molecular dynamics (AIMD) simulations on basis of the lattice contraction model.
Suppression of reversible photocyclization reaction induced fluorescence enhancement: a theoretical study
Authors: Wei Haoran , Zeng Yi , Li Quansong , Zheng Xiaoyan
Published: October 2022

The fluorescence intensity of SIP-2 and DPI under different environments are mainly related to the competition between the PC reaction and aggregation induced restriction of phenyl ring rotational motions.
Anisotropy, segmental dynamics and polymorphism of crystalline biogenic carboxylic acids
Authors: Pokorný Václav , Touš Petr , Štejfa Vojtěch , Růžička Květoslav , Rohlíček Jan , Czernek Jiří , Brus Jiří , Červinka Ctirad
Published: October 2022

Anisotropy and local dynamics of crystalline biogenic carboxylic acids are investigated using NMR-crystallography. Calorimetry is employed to determine phase behavior. All experimental observations are interpreted in terms of ab initio calculations.
From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems
Authors: Gamper Jakob , Kluibenschedl Florian , Weiss Alexander K. H. , Hofer Thomas S.
Published: October 2022

A general, feedforward neural network strategy for the treatment of a broad range of quantum problems including rotational and vibrational spectroscopy, tunnelling and band structure calculations is presented in this study.
Noncovalently bound molecular complexes beyond diatom–diatom systems: full-dimensional, fully coupled quantum calculations of rovibrational states
Authors: Felker Peter M. , Bačić Zlatko
Published: October 2022

The methodological advances made in recent years have significantly extended the range and dimensionality of noncovalently bound molecular complexes for which full-dimensional quantum calculations of their rovibrational states are feasible.
Interpretable machine learning for investigating complex nanomaterial–plant–soil interactions
Authors: Yu Hengjie , Zhao Zhilin , Luo Dan , Cheng Fang
Published: October 2022

Interpretable machine learning, based on post hoc interpretation and model-based interpretation, was used to study the root uptake of nanomaterials in the soil environment, which could promote the understanding of nanomaterials exposure to plants.
Optimizing the synergistic effect of CuWO4/CuS hybrid composites for photocatalytic inactivation of pathogenic bacteria
Authors: Dong Xiuli , Katzbaer Rowan R. , Chitara Basant , Han Li , Yang Liju , Schaak Raymond E. , Yan Fei
Published: October 2022

A quantitative approach was developed to systematically evaluate the antimicrobial activity of CuWO4/CuS hybrid composites. This approach offers a new way to search for effective combinations of two or more semiconductors for pathogen disinfection.
Senegalia macrostachya seed polysaccharides attenuate inflammation-induced intestinal epithelial barrier dysfunction in a Caco-2 and RAW264.7 macrophage co-culture model by inhibiting the NF-κB/MLCK pathway
Authors: Zongo Abel Wend-Soo , Zogona Daniel , Youssef Mahmoud , Ye Shuxin , Zhan Fuchao , Li Jing , Li Bin
Published: October 2022

Senegalia macrostachya seed polysaccharides improved the Caco-2 cell monolayer integrity from the inflammatory insult. SMSP2 treatment lowered the inflammatory cytokine release, increased TJ proteins, and downregulated the NF-κB/MLCK pathway.
Repurposing cycloaddition of β-carbonyl phosphonate and azide to synthesize triazolyl phosphonates via ionic-liquid-based data-driven screening
Authors: Zhu Anlian , Fan Dongshuang , You Yanbo , Wang Honglei , Zhao Yang , Wang Jianji , Li Lingjun
Published: October 2022

Triazolyl phosphonates can be synthesized in the all-in-one ionic liquid reaction system, which are discovered by data-driven screening.
Separation and isotope ratio measurements of actinides and lanthanides in spent nuclear fuel samples by CE-MC-ICP-MS
Authors: Dupuis Erwan , Isnard Hélène , Chartier Frédéric
Published: October 2022

CE was hyphenated to MC-ICP-MS in a glove box to measure isotope ratios of actinides and lanthanides in spent nuclear fuel.
Revitalizing zinc-ion batteries with advanced zinc anode design
Authors: Chen Shuwei , Wang Huibo , Zhu Mengyu , You Fan , Lin Wang , Chan Dan , Lin Wanxin , Li Peng , Tang Yuxin , Zhang Yanyan
Published: October 2022

This review focus on the rational design of the highly reversible zinc anode for high-performance aqueous zinc-ion batteries. The design concepts are expected to be applied to other types of high-performance aqueous energy storage systems.
Reaction of imidazo[1,2-a]pyridines with coumarin-3-carboxylic acids: a domino Michael addition/decarboxylation/oxidation/annulation
Authors: Kianmehr Ebrahim , Bari Bahareh , Jafarzadeh Mahdi , Rostami Ali , Golshani Mostafa , Foroumadi Alireza
Published: October 2022

A palladium-catalyzed decarboxylative domino reaction of imidazo[1,2-a]pyridines and coumarin-3-carboxylic acids has been developed, which provides access to dibenzoisochromenoimidazo[1,2-a]pyridin-6-ones possessing six fused rings.
Detection of cadaverine and putrescine on (10,0) carbon, boron nitride and gallium nitride nanotubes: a density functional theory study
Authors: Ferreira Francisco Gleidson de Sousa , Caetano Caio Vinícius , Navis Caleb Nathan , Silva Adilson Luís Pereira , Varela Júnior Jaldyr de Jesus Gomes
Published: October 2022

This work presents a theoretical study of the interaction between carbon nanotubes (CNT), boron nitride nanotubes and gallium nitride nanotubes with pollutant diamines cadaverine and putrescine using density functional theory (DFT) implemented using SIESTA.
Facile solvothermal assisted g-C3N4post-grafting with aromatic amine dyes for effective photocatalytic hydrogen evolution
Authors: Chen Xiaodi , Bao Hailian , Liu Shihang , Liu Xingliang , Zhang Chao
Published: October 2022

Dye grafted g-C3N4using covalent bondsviaa Schiff base chemical reaction exhibit much higher photocatalytic activity for H2evolution.
The effect of copper-doped SBA-15 on catalytic oxidation of NO
Authors: He Renguang , Li Rui , Jia Lijuan , Chang Yu , Xia Yimin , Xue Haiwang , Liu Tiancheng
Published: October 2022

Surface-loaded CuO species of SBA-15 exhibit excellent catalytic activity for NO oxidation.
Water-soluble pillar[5]arene-modified graphdiyne functional material and its application towards ultrasensitive and robust electrochemical methylamphetamine determination
Authors: Zhang Ruilin , Ren Yanming , Zhang Qianyao , Huang Wenxin , Bai Huiping , Zeng Xiaofeng
Published: October 2022

Schematic illustration of the application of the novel material WP5–GDY/GCE for the electrochemical sensing of methylamphetamine (MA).
A green-PAD array combined with chemometrics for pH measurements
Authors: Magnaghi Lisa R. , Alberti Giancarla , Pazzi Bianca M. , Zanoni Camilla , Biesuz Raffaela
Published: October 2022

This work presents the development of a green paper-based analytical device (Green-PAD) array for pH detection.
Rhombohedral trilayer graphene is more stable than its Bernal counterpart
Authors: Guerrero-Avilés R. , Pelc M. , Geisenhof F. R. , Weitz R. T. , Ayuela A.
Published: October 2022

Our stability study on the stackings in trilayer graphene finds that the rhombohedral one turns out to be favorable. Furthermore, lattice distortions can change the relative stability betwen the Bernal and rhombohedral stacking.
Lithium confinement and dynamics in hexagonal and monoclinic tungsten oxide nanocrystals: a 7Li solid state NMR study
Authors: Dören René , Panthöfer Martin , Prädel Leon , Tremel Wolfgang , Mondeshki Mihail
Published: October 2022

Surface and structural (nanoconfined) Li+ cations, their spatial connectivity with proton species and dynamics (in terms of local strength of binding and exchange) were studied by 7Li solid state NMR techniques in hexagonal Lix(NH4)yWO3.
Inert metal induces the modulation of unsaturated aldehyde absorption mode for enhanced selective hydrogenation
Authors: Liu Qinglin , Wu Jiayi , Kang Jiawei , Liu Qian , Liao Peisen , Li Guangqin
Published: October 2022

A strategy of optimizing the CAL adsorption mode induced by an inert metal is adopted to synthesize a series of Ir-based catalysts. The optimal catalyst IrCd5exhibits better activity and COL selectivity than that of the Ir counterpart.
A core/shell nanogenerator achieving pH-responsive nitric oxide release for treatment of infected diabetic wounds
Authors: Zhou Yaming , Jiang Yanjie , Cai Jingfeng , Wang Jiaping , Li Shuo , Wang Miao , Zhou Xi , Wang Xiumin , Zhao Xueqin , Ren Lei
Published: October 2022

A core/shell nanogenerator achieved the pH-responsive release of nitric oxide through enzyme-mimicking redox processes for synergetic effects of anti-infection and pro-healing.
Disulfide bond-embedded polyurethane solid polymer electrolytes with self-healing and shape-memory performance
Authors: Huang Yingjie , Wang Jirong , Shi Zhen , Wang Hongli , Xue Zhigang
Published: October 2022

In this work, solid-state polymer electrolytes with both self-healing and shape-memory properties (SSSPEs) are designed and fabricated based on disulfide bond-containing polyurethane and poly(ethylene oxide) (PEO) segments.
“Thiol-free synthesized” and sustainable thiolating synthons for nickel-catalyzed reductive assembly of sulfides with high efficiency
Authors: Liu Yong , Xu Yuenian , Zhang Yan , Gao Wen-Chao , Shao Xinxin
Published: October 2022

Unsymmetrical sulfides are widely found in the pharmaceutical industry, organic synthesis, and materials science.
Ligand-controlled chemoselectivity in gold-catalyzed cascade cyclization of 1,4-diene-tethered 2-alkynylbenzaldehydes
Authors: Chen Jichao , Hu Rui , Bao Qing , Shang Dandan , Yu Lei , Chan Philip Wai Hong , Rao Weidong
Published: October 2022

A synthetic method that relies on the gold(i)-catalyzed cascade annulation of skipped 1,4-diene-tethered 2-alkynylbenzaldehydes for the chemo- and stereoselective assembly polycyclic bridged-pyrrolidines and -azepines is described.
Photo-induced decarboxylative hydroacylation of α-oxocarboxylic acids with terminal alkynes by radical addition–translocation–cyclization in water
Authors: Shi Wei , Yang Chao , Guo Lin , Xia Wujiong
Published: October 2022

A photo-induced radical addition–translocation–cyclization (RATC) reaction of terminal alkynes and α-oxocarboxylic acids using water as the reaction medium is reported herein.
Curcumin-PLGA based nanocapsule for the fluorescence spectroscopic detection of dopamine
Authors: Zakaria Hanine , El Kurdi Riham , Patra Digambara
Published: October 2022

The main purpose of this paper is to design curcumin loaded PLGA nanocapsules for the selective detection of dopamine using fluorescence spectroscopy.
Effects of cholesterol on the anionic magnetite nanoparticle-induced deformation and poration of giant lipid vesicles
Authors: Akter Salma , Karal Mohammad Abu Sayem , Hasan Sharif , Ahamed Md. Kabir , Ahmed Marzuk , Ahammed Shareef
Published: October 2022

Cholesterol inhibits the anionic magnetite nanoparticles-induced deformation of charged and neutral giant lipid vesicles and lipid membrane poration of these vesicles.
[3 + 2] cycloaddition of nonstabilized azomethine ylides and 2-benzothiazolamines to access imidazolidine derivatives
Authors: Wang Kai-Kai , Li Yan-Li , Wang Ming-Yue , Jing Jun , Wang Zhan-Yong , Chen Rongxiang
Published: October 2022

An effective method for the synthesis of functionalized imidazolidine derivativesviaa [3 + 2] cycloaddition reaction from nonstabilized azomethine ylides generatedin situfrom 2-benzothiazolamines in high yields (up to 98%) has been developed.
Direct detection of spin polarization in photoinduced charge transfer through a chiral bridge
Authors: Privitera Alberto , Macaluso Emilio , Chiesa Alessandro , Gabbani Alessio , Faccio Davide , Giuri Demetra , Briganti Matteo , Giaconi Niccolò , Santanni Fabio , Jarmouni Nabila , Poggini Lorenzo , Mannini Matteo , Chiesa Mario , Tomasini Claudia , Pineider Francesco , Salvadori Enrico , Carretta Stefano , Sessoli Roberta
Published: October 2022

Our work provides a first attempt to directly detect the spin polarisation of Chiral-Induced Spin Selectivity (CISS) effect by studying the photoinduced electron transfer in a CdSe Quantum Dot-chiral bridge-fullerene derivative (QD–χ–C60) system.
Controlling the anisotropic self-assembly of polybutadiene-grafted silica nanoparticles by tuning three-body interaction forces
Authors: Di Credico Barbara , Odriozola Gerardo , Mascotto Simone , Meyer Andreas , Tripaldi Laura , Moncho-Jordá Arturo
Published: October 2022

Three-body contributions coming from the polymer–polymer interactions are able to self-assemble composite nanoparticles (NPs) into highly anisotropic structures.
Thermal Marangoni trapping driven by laser absorption in evaporating droplets for particle deposition
Authors: Goy N.-A. , Bruni N. , Girot A. , Delville J.-P. , Delabre U.
Published: October 2022

Laser absorption triggers Marangoni flows to concentrate particles and control particles’ deposition in evaporating droplets.
Organic–inorganic hybrid photocatalyst consisting of a highly conjugated metal complex and graphitic carbon nitride for efficient hydrogen evolution and Cr(vi) reduction
Authors: Das Bishal , Rao Pala Laxmi Prasad , Mohanta Manoj Kumar , Devi Meghali , Chakraborty Debarati , Peela Nageswara Rao , Qureshi Mohammad , Dhar Siddhartha Sankar
Published: October 2022

Copper tetraphenyl tetrasulphonic acid grafted g-C3N4is demonstrated as a heterogeneous photocatalyst for superior H2evolution and Cr(vi) reduction.
Two-dimensional AlXY (X = S, Se, and Y = Cl, Br, I) monolayers: promising photocatalysts for water splitting with high-anisotropic carrier mobilities
Authors: Pan Lu , Zhang Tian , Hu Cui-E , Chen Xiang-Rong , Geng Hua-Yun
Published: October 2022

Schematic of the photocatalytic water splitting of AlXY (X = S, Se and Y = Cl, Br, I) monolayers.
High entropy stabilizing lattice oxygen participation of Ru- based oxides in acidic water oxidation
Authors: Yu Yaodong , Li Hongdong , Liu Jiao , Xu Wenxia , Zhang Dan , Xiong Juan , Li Bin , Omelchuk A. O. , Lai Jianping , Wang Lei
Published: October 2022

A novel Ru-based high entropy oxide electrocatalyst RuNiMoCrFeOx/CNT was successfully synthesized, where the OER tends to proceed through the LOM on the high entropy surface, high entropy stabilizes the lattice oxygen to participate in the reaction.
Constructing a built-in electric field by anchoring highly dispersed Zn single atoms on UiO-66-NH2 for efficient CO2 photoreduction
Authors: Chu Mingna , Li Yang , Chen Ximing , Hou Guangyao , Zhou Yan , Kang Hongjun , Qin Wei , Wu Xiaohong
Published: October 2022

Efficient CO2 conversion has been realized on UiO-66-NH2-0.7Zn SAs benefitting from the formation of the built-in electric field by anchoring Zn single atoms (SAs) on UiO-66-NH2.
Facile preparation of large-scale expanded graphite/polydimethylsiloxane composites for highly-efficient electromagnetic interference shielding
Authors: Zhang Fei , Li Chuanbing , Zhang Yinhang , Sun Yuxuan , Yao Xuming , Guo Lei , Wu Jinyi , Dai Kun , Wu Jiatai , Zheng Qingbin
Published: October 2022

Highly oriented graphite frameworks are constructed via a facile intercalation–expansion process, which present excellent EMI shielding performance and scalability, showing great potential for the application of next-generation flexible electronics.
Correction: Treatment of mine water for the fast removal of zinc and lead by wood ash amended biochar
Authors: Cairns Stuart , Todd Aaron , Robertson Iain , Byrne Patrick , Dunlop Tom
Published: October 2022

Correction for ‘Treatment of mine water for the fast removal of zinc and lead by wood ash amended biochar’ by Stuart Cairns et al., Environ. Sci.: Adv., 2022, 1, 506–516, https://doi.org/10.1039/d2va00085g.
Voice Alterations, Dysarthria, and Respiratory Derangements in Patients With Parkinson's Disease
Authors: Di Pietro Davide Antonio , Olivares Adriana , Comini Laura , Vezzadini Giuliana , Luisa Alberto , Petrolati Anna , Boccola Sara , Boccali Elisa , Pasotti Monica , Danna Laura , Vitacca Michele
Published: October 2022

Purpose:

Almost 90% of people with Parkinson's disease (PD) develop voice and speech disorders during the course of the disease. Ventilatory dysfunction is one of the main causes. We aimed to evaluate relationships between respiratory impairments and speech/voice changes in PD.

Method:

At Day 15 from admission, in consecutive clinically stable PD patients in a neurorehabilitation unit, we collected clinical data as follows: comorbidities, PD severity, motor function and balance, respiratory function at rest (including muscle strength and cough ability), during exercise-induced desaturation and at night, voice function (Voice Handicap Index [VHI] and acoustic analysis [Praat]), speech disorders (Robertson Dysarthria Profile [RDP]), and postural abnormalities. Based on an arbitrary RDP cutoff, two groups with different dysarthria degree were identified—moderate–severe versus no–mild dysarthria—and compared.

Results:

Of 55 patients analyzed (median value Unified Parkinson's Disease Rating Scale Part II 9 and Part III 17), we found significant impairments in inspiratory and expiratory muscle pressure (> 90%, both), exercise tolerance at 6-min walking distance (96%), nocturnal (12.7%) and exercise-induced (21.8%) desaturation, VHI (34%), and Praat Shimmer% (89%). Patients with moderate–severe dysarthria (16% of total sample) had more comorbidities/disabilities and worse respiratory pattern and postural abnormalities (camptocormia) than those with no–mild dysarthria. Moreover, the risk of presenting nocturnal desaturation, reduced peak expiratory flow, and cough ability was about 11, 13, and 8 times higher in the moderate–severe group.

Conclusions:

Dysarthria and respiratory dysfunction are closely associated in PD patients, particularly nocturnal desaturation and reduced cough ability. In addition, postural condition could be at the base of both respiratory and voice impairments.

Supplemental Material:

https://doi.org/10.23641/asha.21210944
Local Temporal Regularities in Child-Directed Speech in Spanish
Authors: Pérez-Navarro Jose , Lallier Marie , Clark Catherine , Flanagan Sheila , Goswami Usha
Published: October 2022

Purpose:

The purpose of this study is to characterize the local (utterance-level) temporal regularities of child-directed speech (CDS) that might facilitate phonological development in Spanish, classically termed a syllable-timed language.

Method:

Eighteen female adults addressed their 4-year-old children versus other adults spontaneously and also read aloud (CDS vs. adult-directed speech [ADS]). We compared CDS and ADS speech productions using a spectrotemporal model (Leong & Goswami, 2015), obtaining three temporal metrics: (a) distribution of modulation energy, (b) temporal regularity of stressed syllables, and (c) syllable rate.

Results:

CDS was characterized by (a) significantly greater modulation energy in the lower frequencies (0.5–4 Hz), (b) more regular rhythmic occurrence of stressed syllables, and (c) a slower syllable rate than ADS, across both spontaneous and read conditions.

Discussion:

CDS is characterized by a robust local temporal organization (i.e., within utterances) with amplitude modulation bands aligning with delta and theta electrophysiological frequency bands, respectively, showing greater phase synchronization than in ADS, facilitating parsing of stress units and syllables. These temporal regularities, together with the slower rate of production of CDS, might support the automatic extraction of phonological units in speech and hence support the phonological development of children.

Supplemental Material:

https://doi.org/10.23641/asha.21210893
Evidence for a Musician Speech-Perception-in-Noise Advantage in School-Age Children
Authors: Benítez-Barrera Carlos R. , Skoe Erika , Huang James , Tharpe Anne Marie
Published: October 2022

Purpose:

The objective of this study was to evaluate whether child musicians are better at listening to speech in noise (SPIN) than nonmusicians of the same age. In addition, we aimed to explore whether the musician SPIN advantage in children was related to general intelligence (IQ).

Method:

Fifty-one children aged 8.2–11.8 years and with different levels of music training participated in the study. A between-group design and correlational analyses were used to determine differences in SPIN skills as they relate to music training. IQ was used as a covariate to explore the relationship between intelligence and SPIN ability.

Results:

More years of music training were associated with better SPIN skills than fewer years of music training. Furthermore, this difference in SPIN skills remained even when accounting for IQ. These results were found at the group level and also when years of instrument training was treated as a continuous variable (i.e., correlational analyses).

Conclusions:

We confirmed results from previous studies in which child musicians outperformed nonmusicians in SPIN skills. We also showed that this effect was not related to differences in IQ between the musicians and nonmusicians for this cohort of children. However, confirmation of this finding with a cohort of children from more diverse socioeconomic statuses and cognitive profiles is warranted.