bluuebunny/crossref_metadata_2025 huggingface dataset:
Analysis of bronchoalveolar lavage fluid metatranscriptomes among patients with COVID-19 disease
Authors: Jochum Michael , Lee Michael D. , Curry Kristen , Zaksas Victoria , Vitalis Elizabeth , Treangen Todd , Aagaard Kjersti , Ternus Krista L.
Published: December 2022

To better understand the potential relationship between COVID-19 disease and hologenome microbial community dynamics and functional profiles, we conducted a multivariate taxonomic and functional microbiome comparison of publicly available human bronchoalveolar lavage fluid (BALF) metatranscriptome samples amongst COVID-19 (n = 32), community acquired pneumonia (CAP) (n = 25), and uninfected samples (n = 29). We then performed a stratified analysis based on mortality amongst the COVID-19 cohort with known outcomes of deceased (n = 10) versus survived (n = 15). Our overarching hypothesis was that there are detectable and functionally significant relationships between BALF microbial metatranscriptomes and the severity of COVID-19 disease onset and progression. We observed 34 functionally discriminant gene ontology (GO) terms in COVID-19 disease compared to the CAP and uninfected cohorts, and 21 GO terms functionally discriminant to COVID-19 mortality (q < 0.05). GO terms enriched in the COVID-19 disease cohort included hydrolase activity, and significant GO terms under the parental terms of biological regulation, viral process, and interspecies interaction between organisms. Notable GO terms associated with COVID-19 mortality included nucleobase-containing compound biosynthetic process, organonitrogen compound catabolic process, pyrimidine-containing compound biosynthetic process, and DNA recombination, RNA binding, magnesium and zinc ion binding, oxidoreductase activity, and endopeptidase activity. A Dirichlet multinomial mixtures clustering analysis resulted in a best model fit using three distinct clusters that were significantly associated with COVID-19 disease and mortality. We additionally observed discriminant taxonomic differences associated with COVID-19 disease and mortality in the genusSphingomonas,belonging to the Sphingomonadacae family,Variovorax,belonging to the Comamonadaceae family, and in the class Bacteroidia,belonging to the order Bacteroidales. To our knowledge, this is the first study to evaluate significant differences in taxonomic and functional signatures between BALF metatranscriptomes from COVID-19, CAP, and uninfected cohorts, as well as associating these taxa and microbial gene functions with COVID-19 mortality. Collectively, while this data does not speak to causality nor directionality of the association, it does demonstrate a significant relationship between the human microbiome and COVID-19. The results from this study have rendered testable hypotheses that warrant further investigation to better understand the causality and directionality of host–microbiome–pathogen interactions.
Aporphine and isoquinoline derivatives block glioblastoma cell stemness and enhance temozolomide cytotoxicity
Authors: Rodrigues-Junior Dorival Mendes , Raminelli Cristiano , Hassanie Haifa , Trossini Gustavo Henrique Goulart , Perecim Givago Prado , Caja Laia , Moustakas Aristidis , Vettore André Luiz
Published: December 2022

Glioblastoma (GBM) is the most aggressive and common primary malignant brain tumor with limited available therapeutic approaches. Despite improvements in therapeutic options for GBM patients, efforts to develop new successful strategies remain as major unmet medical needs. Based on the cytotoxic properties of aporphine compounds, we evaluated the biological effect of 12 compounds obtained through total synthesis of ( ±)-apomorphine hydrochloride (APO) against GBM cells. The compounds 2,2,2-trifluoro-1-(1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)ethenone (A5) and ( ±)-1-(10,11-dimethoxy-6a,7-dihydro-4H-dibenzo[de,g]quinolin-6(5H)-yl)ethenone (C1) reduced the viability of GBM cells, with 50% inhibitory concentration ranging from 18 to 48 μM in patient‐derived GBM cultures. Our data show that APO, A5 or C1 modulate the expression of DNA damage and apoptotic markers, impair 3D‐gliomasphere growth and reduce the expression of stemness markers. Potential activity and protein targets of A5, C1 or APO were predicted in silico based on PASS and SEA software. Dopamine receptors (DRD1 and 5), CYP2B6, CYP2C9 and ABCB1, whose transcripts were differentially expressed in the GBM cells, were among the potential A5 or C1 target proteins. Docking analyses (HQSAR and 3D-QSAR) were performed to characterize possible interactions of ABCB1 and CYP2C9 with the compounds. Notably, A5 or C1 treatment, but not temozolomide (TMZ), reduced significantly the levels of extracellular ATP, suggesting ABCB1 negative regulation, which was correlated with stronger cytotoxicity induced by the combination of TMZ with A5 or C1 on GBM cells. Hence, our data reveal a potential therapeutic application of A5 and C1 as cytotoxic agents against GBM cells and predicted molecular networks that can be further exploited to characterize the pharmacological effects of these isoquinoline-containing substances.
Physicochemical mechanisms of bacterial response in the photodynamic potentiation of antibiotic effects
Authors: Soares Jennifer M. , Guimarães Francisco E. G. , Yakovlev Vladislav V. , Bagnato Vanderlei S. , Blanco Kate C.
Published: December 2022

Antibiotic failures in treatments of bacterial infections from resistant strains have been a global health concern, mainly due to the proportions they can reach in the coming years. Making microorganisms susceptible to existing antibiotics is an alternative to solve this problem. This study applies a physicochemical method to the standard treatment for modulating the synergistic response towards circumventing the mechanisms of bacterial resistance. Photodynamic inactivation protocols (curcumina 10 µM, 10 J/cm2) and their cellular behavior in the presence of amoxicillin, erythromycin, and gentamicin antibiotics were analyzed from the dynamics of bacterial interaction of a molecule that produces only toxic effects after the absorption of a specific wavelength of light. In addition to bacterial viability, the interaction of curcumin, antibiotics and bacteria were imaged and chemically analyzed using confocal fluorescence microscopy and Fourier-transform infrared spectroscopy (FTIR). The interaction between therapies depended on the sequential order of application, metabolic activity, and binding of bacterial cell surface biomolecules. The results demonstrated a potentiating effect of the antibiotic with up to to 32-fold reduction in minimum inhibitory concentrations and mean reductions of 7 log CFU/ml by physicochemical action at bacterial level after the photodynamic treatment. The changes observed as a result of bacteria-antibiotic interactions, such as membrane permeabilization and increase in susceptibility, may be a possibility for solving the problem of microbial multidrug resistance.
Capsule robot pose and mechanism state detection in ultrasound using attention-based hierarchical deep learning
Authors: Liu Xiaoyun , Esser Daniel , Wagstaff Brandon , Zavodni Anna , Matsuura Naomi , Kelly Jonathan , Diller Eric
Published: December 2022

Ingestible robotic capsules with locomotion capabilities and on-board sampling mechanism have great potential for non-invasive diagnostic and interventional use in the gastrointestinal tract. Real-time tracking of capsule location and operational state is necessary for clinical application, yet remains a significant challenge. To this end, we propose an approach that can simultaneously determine the mechanism state and in-plane 2D pose of millimeter capsule robots in an anatomically representative environment using ultrasound imaging. Our work proposes an attention-based hierarchical deep learning approach and adapts the success of transfer learning towards solving the multi-task tracking problem with limited dataset. To train the neural networks, we generate a representative dataset of a robotic capsule within ex-vivo porcine stomachs. Experimental results show that the accuracy of capsule state classification is 97%, and the mean estimation errors for orientation and centroid position are 2.0 degrees and 0.24 mm (1.7% of the capsule’s body length) on the hold-out test set. Accurate detection of the capsule while manipulated by an external magnet in a porcine stomach and colon is also demonstrated. The results suggest our proposed method has the potential for advancing the wireless capsule-based technologies by providing accurate detection of capsule robots in clinical scenarios.
Influence of the surface flaws in oil-tempered wires on the fatigue life of automotive engine valve springs
Authors: Ko Dae-Cheol , Ahn Nam-Sik , Lee Kyung-Hun
Published: December 2022

The purpose of this study is to evaluate the fatigue life of an automotive engine valve spring when the micro defect is applied to a 2300 MPa-class oil-tempered wire (OT wire) with 2.5 mm of diameter as the critical flaw depth. First, the deformation of the surface flaws in the OT wire during the valve spring manufacturing processes was derived via FE analysis using the sub-modeling technique, and the residual stress of the final spring was measured and applied to the spring stress analysis model. Second, the strength of the valve spring was analyzed to examine the presence of residual stress and compare the applied stress levels by the surface flaw. Third, the influence of micro defects on the fatigue life of the spring was evaluated by applying the stress on the surface flaw derived through the spring strength analysis to the S–N curve derived through a rotary bending fatigue test with the OT wire. The flaw depth of 40 µm, which is the existing criterion for surface flaw management, does not reduce the fatigue life.
Whole exome sequencing in dense families suggests genetic pleiotropy amongst Mendelian and complex neuropsychiatric syndromes
Authors: Ganesh Suhas , Vemula Alekhya , Bhattacharjee Samsiddhi , Mathew Kezia , Ithal Dhruva , Navin Karthick , Nadella Ravi Kumar , Viswanath Biju , Sullivan Patrick F. ,   The ADBS Consortium, Rao Naren P. , Narayanaswamy Janardhanan C. , Sivakumar Palanimuthu T. , Kandasamy Arun , Kesavan Muralidharan , Mehta Urvakhsh Meherwan , Venkatasubramanian Ganesan , John John P. , Mukherjee Odity , Kannan Ramakrishnan , Mehta Bhupesh , Kandavel Thennarasu , Binukumar B. , Saini Jitender , Jayarajan Deepak , Shyamsundar A. , Moirangthem Sydney , Kumar K. G. Vijay , Holla Bharath , Mahadevan Jayant , Thirthalli Jagadisha , Chandra Prabha S. , Gangadhar Bangalore N. , Murthy Pratima , Panicker Mitradas M. , Bhalla Upinder S. , Chattarji Sumantra , Benegal Vivek , Varghese Mathew , Reddy Janardhan Y. C. , Raghu Padinjat , Rao Mahendra , Jain Sanjeev , Purushottam Meera
Published: December 2022

Whole Exome Sequencing (WES) studies provide important insights into the genetic architecture of serious mental illness (SMI). Genes that are central to the shared biology of SMIs may be identified by WES in families with multiple affected individuals with diverse SMI (F-SMI). We performed WES in 220 individuals from 75 F-SMI families and 60 unrelated controls. Within pedigree prioritization employed criteria of rarity, functional consequence, and sharing by ≥ 3 affected members. Across the sample, gene and gene-set-wide case–control association analysis was performed with Sequence Kernel Association Test (SKAT). In 14/16 families with ≥ 3 sequenced affected individuals, we identified a total of 78 rare predicted deleterious variants in 78 unique genes shared by ≥ 3 members with SMI. Twenty (25%) genes were implicated in monogenic CNS syndromes in OMIM (OMIM-CNS), a fraction that is a significant overrepresentation (Fisher’s Exact test OR = 2.47, p = 0.001). In gene-set SKAT, statistically significant association was noted for OMIM-CNS gene-set (SKAT-p = 0.005) but not the synaptic gene-set (SKAT-p = 0.17). In this WES study in F-SMI, we identify private, rare, protein altering variants in genes previously implicated in Mendelian neuropsychiatric syndromes; suggesting pleiotropic influences in neurodevelopment between complex and Mendelian syndromes.
R2R3-MYB transcription factor GEMMA CUP-ASSOCIATED MYB1 mediates the cytokinin signal to achieve proper organ development in Marchantia polymorpha
Authors: Aki Shiori S. , Morimoto Tomoyo , Ohnishi Taiki , Oda Ayumi , Kato Hirotaka , Ishizaki Kimitsune , Nishihama Ryuichi , Kohchi Takayuki , Umeda Masaaki
Published: December 2022

Cytokinin, a plant hormone, plays essential roles in organ growth and development. The type-B response regulator-mediated cytokinin signaling is repressed by type-A response regulators and is conserved in the liverwort Marchantia polymorpha. Its signal coordinates the development of diverse organs on the thallus body, such as the gemma cup, rhizoid, and air pores. Here we report that the type-B response regulator MpRRB upregulates the expression of the R2R3-MYB transcription factor GEMMA CUP-ASSOCIATED MYB1 (MpGCAM1) in M. polymorpha. Whereas both Mpgcam1 and Mprrb knockout mutants exhibited defects in gemma cup formation, the Mpgcam1 Mprra double mutant, in which cytokinin signaling is activated due to the lack of type-A response regulator, also formed no gemma cups. This suggests that MpGCAM1 functions downstream of cytokinin signaling. Inducible overexpression of MpGCAM1 produced undifferentiated cell clumps on the thalli of both wild-type and Mprrb. However, smaller thalli were formed in Mprrb compared to the wild-type after the cessation of overexpression. These results suggest that cytokinin signaling promotes gemma cup formation and cellular reprogramming through MpGCAM1, while cytokinin signals also participate in activating cell division during thallus development.
Optical recognition of constructs using hyperspectral imaging and detection (ORCHID)
Authors: Odion Ren A. , Vo-Dinh Tuan
Published: December 2022

Challenges to deep sample imaging have necessitated the development of special techniques such as spatially offset optical spectroscopy to collect signals that have travelled through several layers of tissue. However, these techniques provide only spectral information in one dimension (i.e., depth). Here, we describe a general and practical method, referred to as Optical Recognition of Constructs Using Hyperspectral Imaging and Detection (ORCHID). The sensing strategy integrates (1) the spatial offset detection concept by computationally binning 2D optical data associated with digital offsets based on selected radial pixel distances from the excitation source; (2) hyperspectral imaging using tunable filter; and (3) digital image binding and collation. ORCHID is a versatile modality that is designed to collect optical signals deep inside samples across three spatial (X, Y, Z) as well as spectral dimensions. The ORCHID method is applicable to various optical techniques that exhibit narrow-band structures, from Raman scattering to quantum dot luminescence. Samples containing surface-enhanced Raman scattering (SERS)-active gold nanostar probes and quantum dots embedded in gel were used to show a proof of principle for the ORCHID concept. The resulting hyperspectral data cube is shown to spatially locate target emitting nanoparticle volumes and provide spectral information for in-depth 3D imaging.
Early stage of evolution of Gonomyia (Diptera: Limoniidae), new significant discoveries in the Cretaceous Iberian and Kachin amber
Authors: Kania-Kłosok Iwona , Arillo Antonio , Tuchowski Michał , Zhang Qingqing , Krzemiński Wiesław
Published: December 2022

Thanks to detailed studies of inclusions in Spanish and Kachin amber, it was also possible to study the morphology of insects belonging to the genus Gonomyia. A new material under investigation made it possible to establish two new nominative for science subgenera within the genus Gonomyia has been designated with unique set of characters of antenna, wing venation and genitalia. Two new species within two new subgenera have been described and documented by drawings and photographs, there are Gonomyia (Iberiana) penalveri subgen. et sp. nov. and Gonomyia (Cretagonomyia) burmitica subgen. et sp. nov. The new discovery is the first record of the genus Gonomyia (Diptera: Limoniidae) in Cretaceous Spanish amber and the second in Kachin amber. The new discovery adds to the knowledge of the crane fies’ diversity and evolution, especially its first stage in the Cretaceous.
Multi-level analysis reveals the association between diabetes, body mass index, and HbA1c in an Iraqi population
Authors: Kowsar Rasoul , Mansouri Alireza
Published: December 2022

Type 2 diabetes (T2D) known as a complex metabolic disorder may cause health problems and changes in blood biochemical markers. A growing number of studies have looked into several biomarkers and their connections with T2D risk. However, few have explored the interconnection of these biomarkers, as well as the prospective alterations in the diabetes biomarker correlation network. We conducted a secondary analysis in order to introduce a multi-level approach to establish a relationship between diabetes, pre-diabetes, blood biochemical markers, age, and body mass index (BMI). The dataset was obtained from the Mendeley Data (available at https://data.mendeley.com/datasets/wj9rwkp9c2/1. In this study, three groups were established: non-diabetic (n = 103), pre-diabetic (n = 53), and diabetic (n = 844). According to the Heatmap analysis, non-diabetic and pre-diabetic individuals had the lowest BMI, age, and HbA1c. Diabetes and pre-diabetes were correlated with BMI (r = 0.58 and − 0.27, respectively), age (r = 0.47 and − 0.28, respectively), and HbA1c (r = 0.55 and − 0.21, respectively) using Pearson analysis. Using multivariate analysis, we found that diabetes, BMI, age, HbA1c, cholesterol, triglyceride, LDL, VLDL, and HDL were all associated. Network analysis revealed a connection between BMI and diabetes at the highest cut-off point. Moreover, receiver operating characteristic (ROC) analysis validated the network findings, revealing that BMI (area under the ROC curve, AUC = 0.95), HbA1c (AUC = 0.94), and age (AUC = 0.84) were the best predictors of diabetes. In conclusion, our multi-step study revealed that identifying significant T2D predictors, such as BMI and HbA1c, required a series of mathematical analyses.
Implications of navigation system use for glenoid component placement in reverse shoulder arthroplasty
Authors: Kida Hiroaki , Urita Atsushi , Momma Daisuke , Matsui Yuki , Endo Takeshi , Kawamura Daisuke , Taneichi Hiroshi , Iwasaki Norimasa
Published: December 2022

Recently, three-dimensional (3D) planning, patient-specific instruments, and navigation system have been developed to improve the accuracy of baseplate placement in reverse shoulder arthroplasty (RSA). The purpose of this study was to evaluate baseplate placement using the navigation system. Sixty-four shoulders in 63 patients who underwent RSA for rotator cuff tear arthropathy or irreparable rotator cuff tears were enrolled. Conventional RSA was performed in 31 shoulders and navigated RSA using pre-operative planning software was performed in 33 shoulders. The use of augmented baseplates, the version and inclination of the baseplate, and screw length were compared between conventional RSA and navigated RSA. Augmented baseplates were used more frequently in navigated RSA than in conventional RSA (20 vs 9 shoulders, p = 0.014). Baseplate alignment was 1.0° (SD 5.1) of retroversion and 2.4° (SD 6.8) of superior inclination in conventional RSA and 0.2° (SD 1.9) of anteversion and 0.3° (SD 1.7) of superior inclination in navigated RSA. Compared with conventional RSA, precision of baseplate version and inclination were higher in navigated RSA (both p < 0.001). Superior, inferior, and posteroinferior screws were significantly longer in navigated RSA than in conventional RSA (p = 0.021, 0.001 and < 0.001, respectively). Precision of superior and inferior screw lengths was significantly higher in navigated RSA than in conventional RSA (both p = 0.001). Our results suggest that adoption of pre-operative planning software increased augmented baseplate use to minimize the glenoid reaming. The navigation system allows placement of the baseplate accurately, according to the pre-operative plan. Furthermore, the navigation system enables monitoring of screw length and direction in real time.
Sunk cost sensitivity during change-of-mind decisions is informed by both the spent and remaining costs
Authors: Redish A. David , Abram Samantha V. , Cunningham Paul J. , Duin Anneke A. , Durand-de Cuttoli Romain , Kazinka Rebecca , Kocharian Adrina , MacDonald Angus W. , Schmidt Brandy , Schmitzer-Torbert Neil , Thomas Mark J. , Sweis Brian M.
Published: December 2022

Sunk cost sensitivity describes escalating decision commitment with increased spent resources. On neuroeconomic foraging tasks, mice, rats, and humans show similar escalations from sunk costs while quitting an ongoing countdown to reward. In a new analysis taken across computationally parallel foraging tasks across species and laboratories, we find that these behaviors primarily occur on choices that are economically inconsistent with the subject’s other choices, and that they reflect not only the time spent, but also the time remaining, suggesting that these are change-of-mind re-evaluation processes. Using a recently proposed change-of-mind drift-diffusion model, we find that the sunk cost sensitivity in this model arises from decision-processes that directly take into account the time spent (costs sunk). Applying these new insights to experimental data, we find that sensitivity to sunk costs during re-evaluation decisions depends on the information provided to the subject about the time spent and the time remaining.
Circ-CREBBP inhibits sperm apoptosis via the PI3K-Akt signaling pathway by sponging miR-10384 and miR-143-3p
Authors: Ding Ning , Zhang Yu , Huang Mengna , Liu Jianfeng , Wang Chonglong , Zhang Chun , Cao Jinkang , Zhang Qin , Jiang Li
Published: December 2022

Male reproductive diseases are becoming increasingly prominent, and sperm quality is an important indicator to reflect these diseases. Seminal plasma extracellular vesicles (SPEVs) are involved in sperm motility. However, their effects on sperm remain unclear. Here, we identified 222 differentially expressed circRNAs in SPEVs between boars with high or low sperm motility. We found that circ-CREBBP promoted sperm motility and inhibited sperm apoptosis by sponging miR-10384 and miR-143-3p. In addition, miR-10384 and miR-143-3p can regulate the expression of MCL1, CREB1 and CREBBP. Furthermore, we demonstrated that MCL1 interacted directly with BAX and that CREBBP interacted with CREB1 in sperm. We showed that inhibition of circ-CREBBP can reduce the expression of MCL1, CREB1 and CREBBP and increase the expression of BAX and CASP3, thus promoting sperm apoptosis. Our results suggest that circ-CREBBP may be a promising biomarker and therapeutic target for male reproductive diseases.
A network of mixed actin polarity in the leading edge of spreading cells
Authors: Chung Wen-Lu , Eibauer Matthias , Li Wenhong , Boujemaa-Paterski Rajaa , Geiger Benjamin , Medalia Ohad
Published: December 2022

Physical interactions of cells with the underlying extracellular matrix (ECM) play key roles in multiple cellular processes. The actin cytoskeleton is a central driver and regulator of cellular dynamics, that produces membrane-protrusions such as lamellipodia and filopodia. Here, we examined actin organization in expanding lamellipodia during early stages of cell spreading. To gain insight into the 3D actin organization, we plated fibroblasts on galectin-8 coated EM grids, an ECM protein presents in disease states. We then combined cryo-electron tomography with advanced image processing tools for reconstructing the structure of F-actin in the lamellipodia. This approach enabled us to resolve the polarity and orientation of filaments, and the structure of the Arp2/3 complexes associated with F-actin branches. We show that F-actin in lamellipodial protrusions forms a dense network with three distinct sub-domains. One consists primarily of radial filaments, with their barbed ends pointing towards the membrane, the other is enriched with parallel filaments that run between the radial fibers, in addition to an intermediate sub-domain. Surprisingly, a minor, yet significant (~10%) population of actin filaments, are oriented with their barbed-ends towards the cell center. Our results provide structural insights into F-actin assembly and dynamic reorganization in the leading edge of spreading cells.
Fatty acids derived from the probiotic Lacticaseibacillus rhamnosus HA-114 suppress age-dependent neurodegeneration
Authors: Labarre Audrey , Guitard Ericka , Tossing Gilles , Forest Anik , Bareke Eric , Labrecque Marjorie , Tétreault Martine , Ruiz Matthieu , Alex Parker J.
Published: December 2022

The human microbiota is believed to influence health. Microbiome dysbiosis may be linked to neurological conditions like Alzheimer’s disease, amyotrophic lateral sclerosis, and Huntington’s disease. We report the ability of a probiotic bacterial strain in halting neurodegeneration phenotypes. We show thatLacticaseibacillus rhamnosusHA-114 is neuroprotective inC. elegansmodels of amyotrophic lateral sclerosis and Huntington’s disease. Our results show that neuroprotection fromL. rhamnosusHA-114 is unique from otherL. rhamnosusstrains and resides in its fatty acid content. Neuroprotection byL. rhamnosusHA-114 requiresacdh-1/ACADSB,kat-1/ACAT1andelo-6/ELOVL3/6, which are associated with fatty acid metabolism and mitochondrial β-oxidation. Our data suggest that disrupted lipid metabolism contributes to neurodegeneration and that dietary intervention withL. rhamnosusHA-114 restores lipid homeostasis and energy balance through mitochondrial β-oxidation. Our findings encourage the exploration ofL. rhamnosusHA-114 derived interventions to modify the progression of neurodegenerative diseases.
Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Authors: Bothe Sebastian , Hänzelmann Petra , Böhler Stephan , Kehrein Josef , Zehe Markus , Wiedemann Christoph , Hellmich Ute A. , Brenk Ruth , Schindelin Hermann , Sotriffer Christoph
Published: December 2022

Biosensor techniques have become increasingly important for fragment-based drug discovery during the last years. The AAA+ ATPase p97 is an essential protein with key roles in protein homeostasis and a possible target for cancer chemotherapy. Currently available p97 inhibitors address its ATPase activity and globally impair p97-mediated processes. In contrast, inhibition of cofactor binding to the N-domain by a protein-protein-interaction inhibitor would enable the selective targeting of specific p97 functions. Here, we describe a biolayer interferometry-based fragment screen targeting the N-domain of p97 and demonstrate that a region known as SHP-motif binding site can be targeted with small molecules. Guided by molecular dynamics simulations, the binding sites of selected screening hits were postulated and experimentally validated using protein- and ligand-based NMR techniques, as well as X-ray crystallography, ultimately resulting in the first structure of a small molecule in complex with the N-domain of p97. The identified fragments provide insights into how this region could be targeted and present first chemical starting points for the development of a protein-protein interaction inhibitor preventing the binding of selected cofactors to p97.
Long-term national climate strategies bet on forests and soils to reach net-zero
Authors: Smith Harry B. , Vaughan Naomi E. , Forster Johanna
Published: December 2022

The deployment of carbon dioxide removal is essential to reach global and national net-zero emissions targets, but little attention has been paid to its practical deployment by countries. Here, we analyse how carbon dioxide removal methods are integrated into 41 of the 50 Long-term Low Emission Development Strategies submitted to the United Nations Framework Convention on Climate Change (UNFCCC), before 2022. We show that enhancing forest and soil carbon sinks are the most advocated strategies but are only explicitly quantified in 12. Residual emissions by 2050 are only quantified in 20 strategies and most of them use forests to achieve national net-zero targets. Strategies that quantify both residual emissions and carbon dioxide removal identify national constraints, such as wildfire risks to forests and limited geological CO2 storage capacity. These strategies also highlight the need for international cooperation. Taken together, we suggest that the UNFCCC should urgently strengthen its reporting requirements on long-term national climate strategies.
Modeling of the Tumor Microenvironment in Tumor Organoids
Authors: Shelkey Ethan , Dominijanni Anthony , Forsythe Steven , Oommen David , Soker Shay
Published: December 2022

Three-dimensional (3D) cell culture systems such as organoids are the cumulative construction of advances in the fields of biomaterials, biofabrication, tissue engineering, and cellular and tissue physiology. These organoids represent a more realistic model than their two-dimensional (2D) cell culture counterparts. They are able to maintain the natural morphology of cellular systems through increased intercellular contact, extracellular matrix (ECM) formation, and addition and support for innate signaling mechanisms not replicated in 2D models. There are a number of different fabrication methods and specifications currently used to create 3D culture systems. The variation in methods results in diverse systems that specialize in modeling of equally diverse in vivo systems, including specific cancer types and immune environments. The ability to readily create physiologically relevant tissue equivalents in vitro with a similar tumor microenvironment (TME) to a patient's tumor tissue, including both cancer and stromal components, greatly increases the scope of precision medicine and can allow for more accurate analysis of therapeutics and cell behavior.
Advances in electrochemiluminescence for single-cell analysis
Authors: Yang Qian , Huang Xiaoyu , Gao Beibei , Gao Lu , Yu Feng , Wang Fu
Published: December 2022

In this review, we summarise the device design strategies and the recent development in single-cell ECL analysis systems (sensing and imaging systems), as well as the modification of ECL probes through different functionalization strategies.
Nontargeted detection and recognition of adulterants in milk powder using Raman imaging and neural networks
Authors: Xia Qi , Huang Zhixuan , Zhang Pengfei , Bu Hanping , Bao Lei , Chen Da
Published: December 2022

Adversarial discrimination neural network driven Raman imaging technology represents a novel nontargeted tool for detecting and recognizing uncontrolled adulterants in milk powder simultaneously.
Analysis of mutational genotyping using correctable decoding sequencing with superior specificity
Authors: Cheng Chu , Fei Zhongjie , Xiao Pengfeng , Huang Huan , Zhou Guohua , Lu Zuhong
Published: December 2022

A correctable decoding sequencing based on dual-mononucleotide sequencing-by-synthesis is proposed. Its error rate is lower than that of Sanger sequencing, making it promising as the most accurate high-throughput DNA sequencing approach.
Mechanistic insight into CdSe nanoplatelet-sensitized upconversion: size and stacking induced effects
Authors: VanOrman Zachary A. , Weiss Rachel , Bieber Alexander S. , Chen Banghao , Nienhaus Lea
Published: December 2022

A unique triplet–triplet annihilation-based upconversion mechanism was observed upon studying the effect of the lateral size of CdSe nanoplatelets, with an interplay of the power threshold and upconversion efficiency.
Non-preheating fabricated semitransparent quasi-2D perovskite solar cells
Authors: Luo Wenjie , Qiu Qingqing , Liu Rui , Yu Yue , Wu Qiaofeng , Peng Jin , Cai Xudong , Yu Jian , Chen Xin , Yu Hua
Published: December 2022

The non-preheating film casting method was used to fabricate a phase controllable and uniform quasi-2D perovskite film with the highest light utilization efficiency (LUE = 4.01%) for semitransparent quasi-2D perovskite solar cells.
Rhodium(iii)-catalyzed regioselective C2-alkenylation of indoles with CF3-imidoyl sulfoxonium ylides to give multi-functionalized enamines using a migratable directing group
Authors: Yang Zuguang , Tang Jianhua , Li Chen , Chen Zhengkai , Wu Xiao-Feng
Published: December 2022

A rhodium(iii)-catalyzed regioselective C2-alkenylation of indoles for the construction of α-CF3 substituted enamines has been developed, which utilizes CF3-imidoyl sulfoxonium ylides (TFISYs) as alkenylating agents for the first time.
Highly efficient light-induced self-assembly of gold nanoparticles promoted by photoexcitation-induced aggregatable ligands
Authors: Xu Xiaoyan , Zhang Man , Li Zhongyu , Ye Danfeng , Gou Lizhen , Zou Qi , Zhu Liangliang
Published: December 2022

Ligands enabling photoexcitation-induced aggregation were functionalized onto gold nanoparticles for highly efficient light-induced self-assembly.
Dual and sequential locked/unlocked photo-switching effects on FRET processes by tightened/loosened nano-loops of diarylethene-based [1]rotaxanes
Authors: Khang Trang Manh , Nhien Pham Quoc , Cuc Tu Thi Kim , Wu Chia-Hua , Hue Bui Thi Buu , Wu Judy I. , Li Yaw-Kuen , Lin Hong-Cheu
Published: December 2022

The self-trapping nano-loop structures of [1]rotaxanes exhibited multiple Förster resonance energy transfer (FRET) OFF/ON patterns via dual and sequential locking/unlocking upon UV exposure.
Single-step growth of MoO3 nanorods via magnetron sputtering
Authors: Gudena Gutema Teshome , Cho Hyeon Ho , Megersa Daba Deme , Lee Jaeyeong , Bae Jong Seong , Yu Hak Ki
Published: December 2022

Single-step growth of (0h0)-oriented MoO3 nanorods via radio frequency sputtering for humidity sensors.
Study of surfactant cross-linking by click chemistry on a model water/oil interface
Authors: Brou Germain A. , Gbassi Gildas K. , Shulov Ievgen , Seralin Aidar , Klymchenko Andrey S. , Vandamme Thierry F. , Anton Nicolas
Published: December 2022

In this study, we explored how chemical reactions of amphiphile compounds can be characterized and followed-up on model interfaces.
Organic acid formation in the gas-phase ozonolysis of α,β-unsaturated ketones
Authors: Illmann Niklas , Patroescu-Klotz Iulia , Wiesen Peter
Published: December 2022

Based on atmospheric simulation chamber experiments, we present pathways to account for acid formation from Criegee intermediates.
Magnetic field effects on radical pair reactions: estimation ofB1/2for flavin-tryptophan radical pairs in cryptochromes
Authors: Wong Siu Ying , Benjamin Philip , Hore P. J.
Published: December 2022

Spin dynamics simulations are used to characterise the magnetic sensitivity of the flavin-tryptophan radical pair thought to be the detector in the magnetic compass sense of migratory songbirds.
Theoretical investigation of borane compounds mimicking transition metals for N2fixation and activation
Authors: Li Zhipeng , Song Guoliang , Li Zhen Hua
Published: December 2022

Borane compounds with at least two weak B–X bonds, can be used to mimic transition metals to fix and activate N2utilizing the back donation from the σ bonding orbitals of the B–X bonds to the antibonding π* and σ* orbitals of N2.
The effect of substituents and molecular aggregation on the room temperature phosphorescence of a twisted π-system
Authors: Salla Cristian A. M. , Farias Giliandro , Sturm Ludmilla , Dechambenoit Pierre , Durola Fabien , Murat Aydemir , de Souza Bernardo , Bock Harald , Monkman Andrew P. , Bechtold Ivan H.
Published: December 2022

Room temperature phosphorescence of an intrinsically apolar twisted π-system is modulated by polar substituents. Persistent phosphorescence is visible by eye in poder, induced by molecular aggregation.
Exploring a novel class of Janus MXenes by first principles calculations: structural, electronic and magnetic properties of Sc2CXT, X = O, F, OH; T = C, S, N
Authors: Özcan S. , Biel B.
Published: December 2022

DFT investigation of the structural, electronic and magnetic properties of the Janus MXene MXT (M: Sc2C, X: O, F, OH, T: C, N, S) family, revealing transition to a semiconductor character and half-metallicity for some selected functionalizations.
From the HOMEChem frying pan to the outdoor atmosphere: chemical composition, volatility distributions and fate of cooking aerosol
Authors: Pothier Matson A. , Boedicker Erin , Pierce Jeffrey R. , Vance Marina , Farmer Delphine K.
Published: December 2022

New measurements show that cooking aerosol released indoors can partition as it dilutes through a home and to the outdoor atmosphere, impacting both indoor and outdoor air quality.
Rapid separation of bacteria from primary nasal samples using inertial microfluidics
Authors: Shrestha Jesus , Razavi Bazaz Sajad , Ding Lin , Vasilescu Steven , Idrees Sobia , Söderström Bill , Hansbro Philip M. , Ghadiri Maliheh , Ebrahimi Warkiani Majid
Published: December 2022

Development of an inertial microfluidic device based on a zigzag configuration for rapid separation of bacteria from primary nasal samples.
Self-assembly of antifungal agent 5-fluorocytosine and nutrient trans-p-coumaric acid furnishes a cocrystal with the potential to reduce toxicity and side effects for the drug: a case study combining theory with experiment
Authors: Bu Fan-Zhi , Yu Yue-Ming , Yu Yu , Yan Cui-Wei , Wu Zhi-Yong , Li Yan-Tuan
Published: December 2022

Cocrystallization of 5-fluorocytosine (FLCY) and trans-p-coumaric acid was first reported. Systematic studies combining theory with experiment revealed that both solubility and dissolution rate of FLCY can be down-regulated via cocrystallization.
Photocatalytic splitting of H2O-to-H2O2 by BiOI/g-C3N4/CoP S-scheme heterojunctions
Authors: Liou Yu-Fang , Wei Ling-Wei , Chen Chiaying , Liu Shou-Heng , Pu Ying-Chih , Wang H. Paul
Published: December 2022

New BiOI/g-C3N4/CoP S-scheme heterojunction has a high efficiency for the reversible photocatalytic H2O-to-H2O2 reaction, which shows its suitability for applications in H2O2-fuel cells to generate electricity using solar energy.
Unraveling the reaction mechanism of AlCl3Lewis acid catalyzed acylation reaction of pyrene from the perspective of the molecular electron density theory
Authors: Adjieufack Abel Idrice , Gaudel-Siri Anouk , Gingras Marc , Siri Didier
Published: December 2022

Deciphering the C–C bond formation process along the electrophilic attack of the methylacylium ion on pyreneviabonding evolution theory (BET).
The preparation of an FITC-carbon dot nanocomposite and using a C-18 reverse phase column to improve the Hg2+ ion sensitivity of the FITC-carbon dot ratiometric fluorescent sensor
Authors: Li Jyun-Ting , Chang Chih-Wei
Published: December 2022

A C-18 reversed-phase column can be used to remove the unlabeled CDs in FITC-CDs.
Ultrasensitive hydrogen peroxide electrochemical sensor based on dual-phase perovskite oxide tubular nanofiber
Authors: Qu Xin , Zhao Siyu , Gao Peixiang , Qian Xin , Lu Shuanglong , Duan Fang , Zhu Han , Du Mingliang
Published: December 2022

Dual-phase La0.9Sr0.1NiO3 tubular perovskite oxides exhibit excellent electrochemical performance for H2O2 detection with a wide linear response range of 1–7000 μM, fast response time (t = 0.9 s), good selectivity, and admirable long-term stability.
FePO4supported Rh subnano clusters with dual active sites for efficient hydrogenation of quinoline under mild conditions
Authors: Wei Haisheng , Gao Zhaohua , Cao Liru , Li Kairui , Yan Xiaorui , Liu Tiantian , Zhu Mingyuan , Huang Fei , Fang Xu , Lin Jian
Published: December 2022

FePO4supported Rh based catalysts exhibited excellent performance in the hydrogenation of substituted quinoline, attributed to the synergy between Rh subnano clusters and FePO4support.
Ratiometric upconversion luminescence nanoprobes from construction to sensing, imaging, and phototherapeutics
Authors: Jin Hui , Yang Meng , Gui Rijun
Published: December 2022

This review summarizes recent advances on ratiometric upconversion luminescence nanoprobes from the construction to sensing, imaging and phototherapeutic applications.
Interfacial thermal conductance between atomically thin boron nitride and graphene
Authors: Yu Qiuhui V. , Watanabe Kenji , Taniguchi Takashi , Li Lu Hua
Published: December 2022

The interfacial thermal conductance between graphene and atomically thin boron nitride has been experimentally measured for the first time.
Correction: Light-induced in situ chemical activation of a fluorescent probe for monitoring intracellular G-quadruplex structures
Authors: Deiana Marco , Mosser Maëlle , Chamignon Cécile , Le Bahers Tangui , Dumont Elise , Dudek Marta , Denis-Quanquin Sandrine , Sabouri Nasim , Andraud Chantal , Matczyszyn Katarzyna , Monnereau Cyrille , Guy Laure
Published: December 2022

Correction for ‘Light-induced in situ chemical activation of a fluorescent probe for monitoring intracellular G-quadruplex structures’ by Marco Deiana et al., Nanoscale, 2021, 13, 13795–13808, https://doi.org/10.1039/D1NR02855C.
Rational design of cobaltocenium-containing polythioether type metallo-polyelectrolytes as HCl corrosion inhibitors for mild steel
Authors: Liu Shuang , Yan Jing , Shi Junqin , Li Xuezhuang , Zhang Junping , Wang Xuanyi , Cai Ningjing , Fang Quanhai , Zhang Qiuyu , Yan Yi
Published: December 2022

A series of cobaltocenium-containing polythioether type metallo-polyelectrolytes have been synthesized and used as robust inhibitors for mild steel with inhibitive efficiency as high as 95% at a concentration as low as 15 mg L−1.
Polyethyleneimine-assisted co-deposition of polydopamine coating with enhanced stability and efficient secondary modification
Authors: Li Chun-gong , Yang Qinqin , Chen Dong , Zhu Hongliang , Chen Jiachen , Liu Runjin , Dang Qi , Wang Xiang
Published: December 2022

The stability and grafting efficiency are important for polydopamine (pDA) coatings used as platforms for secondary grafting.
Superhydrophobic and highly moisture-resistant PVA@EC composite membrane for air purification
Authors: Liu Zhiqian , Qin Linli , Liu Sijia , Zhang Jing , Wu Junhua , Liang Xinquan
Published: December 2022

Electrospun fiber membranes have great potential in the field of air filtration because of their high porosity and small pore size.
Surface anchored atomic cobalt-oxide species coupled with oxygen vacancies boost the CO-production yield of Pd nanoparticles
Authors: Bhalothia Dinesh , Yang Shou-Shiun , Yan Che , Beniwal Amisha , Chang You-Xun , Wu Shun-Chi , Chen Po-Chun , Wang Kuan-Wen , Chen Tsan-Yao
Published: December 2022

The high density of oxygen vacancies and adjacent Pd domains promote CO2 activation and H2 dissociation, respectively.
High-performance zinc–air batteries enabled by hybridizing atomically dispersed FeN2 with Co3O4 nanoparticles
Authors: Gui Fukang , Jin Qiu , Xiao Dongdong , Jin Zehua , Zhang Yingchuan , Cao Yingjian , Yang Ming , Tan Qinggang , Zhang Cunman , Siahrostami Samira , Xiao Qiangfeng
Published: December 2022

A hybrid catalyst constituting single-atom FeN2 and Co3O4 nanoparticles exhibits superior bifunctional electrocatalytic activities towards the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER).
Service caching decision‐making policy for mobile edge computing using deep reinforcement learning
Authors: Ke Hongchang , Wang Hui , Yang Kun , Sun Hongbin
Published: December 2022

Mobile user terminals in 5G networks can generate massive computational workloads, which require sufficient computation and caching resources, and the processors of user terminals cannot tackle these workloads. Emerging mobile edge computing (MEC) has become the key to solving the computation problem by offloading computation‐intensive workloads to the MEC server. To make full use of the limited resources on the MEC side, service caching can pre‐store specific executable programs, databases, or libraries for executing offloaded workloads from user terminals. In this study, a service caching‐assisted MEC model is designed. According to the proposed MEC model, a decentralized model‐free deep reinforcement learning algorithm‐based server caching optimization policy (DDSCOP) is proposed to minimize the long‐term weighted average cost. Considering the time‐varying request workloads from user terminals, the stochastic channel state, and the arrival of renewable resources of the MEC server, DDSCOP can find the near‐optimal service caching decision‐making policy by training the neural networks, that is, whether the service caching can be hosted by the MEC server, and which MEC server hosts the service caching. The numerical experimental results verify the convergence and effectiveness of DDSCOP through extensive parameters configuration, and DDSCOP outperforms the three baseline algorithms.
Robust optimal attitude control for hexarotors with disturbances, uncertainties, and delays
Authors: Abdollahi Taleb , Salehfard Sepideh
Published: December 2022

A robust optimal attitude controller for hexarotor helicopters is proposed. Compared to the previous research studies on hexarotors, the current study takes account of the influences of non‐linear and coupling dynamics, structured and unstructured uncertainties, external time‐varying disturbances, and input time delays. A linear time‐invariant system is derived for each Euler angle by considering the actual rotational dynamic model as a nominal non‐linear system plus an equivalent perturbation, including non‐linear and coupling dynamics, uncertainties, disturbances, and time delays. Using this approach, a Linear Quadratic Regulation controller is first designed for the nominal linear system of each angle to accomplish the desired tracking performances. Then, a robust compensator based on the robust compensation method is proposed to counteract the effects of the equivalent perturbation on the system. Moreover, the robust attitude tracking property and uniform asymptotical stability of the closed‐loop hexarotor system are proved using Lyapunov stability theory. Several simulations have been performed to demonstrate the effectiveness and robustness of the proposed controller. Finally, experimental results are provided to confirm the robust performance of the proposed controller.
Impact of stator interturn short circuit fault on shaft voltage in a synchronous generator
Authors: He Yu‐Ling , Yang Pei‐Jie , Sun Kai , Xu Zhen‐Li , Wang Hai‐Peng , He Xian‐Long , Gerada David
Published: December 2022

Shaft voltage often exists in synchronous generators due to the assembly error or various faults after the long‐term performance. The article investigates the shaft voltage characteristic under the stator interturn short circuit (SISC) condition. Different from other studies, this article mainly considers the mapping relationship between the amplitude–frequency characteristics of the shaft voltage and the SISC degrees. The detailed shaft voltage expressions are first derived based on the magnetic flux density under the normal condition and SISC condition. Then the finite element analysis and the experiment is studied on a CS‐5 prototype synchronous generator with two poles in order to validate the theoretical formula. The result shows that there is no shaft voltage in the normal condition, while the shaft voltage is generated obviously under the SISC condition. Meanwhile, the frequency component of the shaft voltage is mainly composed of odd harmonics including the first, third and fifth harmonics.