bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular characterization of AIFM2/FSP1 inhibition by iFSP1-like molecules
Authors: Xavier da Silva Thamara Nishida , Schulte Clemens , Alves Ariane Nunes , Maric Hans Michael , Friedmann Angeli José Pedro
Published: April 2023

Ferroptosis is a form of cell death characterized by phospholipid peroxidation, where numerous studies have suggested that the induction of ferroptosis is a therapeutic strategy to target therapy refractory cancer entities. Ferroptosis suppressor protein 1 (FSP1), an NAD(P)H-ubiquinone reductase, is a key determinant of ferroptosis vulnerability, and its pharmacological inhibition was shown to strongly sensitize cancer cells to ferroptosis. A first generation of FSP1 inhibitors, exemplified by the small molecule iFSP1, has been reported; however, the molecular mechanisms underlying inhibition have not been characterized in detail. In this study, we explore the species-specific inhibition of iFSP1 on the human isoform to gain insights into its mechanism of action. Using a combination of cellular, biochemical, and computational methods, we establish a critical contribution of a species-specific aromatic architecture that is essential for target engagement. The results described here provide valuable insights for the rational development of second-generation FSP1 inhibitors combined with a tracer for screening the druggable pocket. In addition, we pose a cautionary notice for using iFSP1 in animal models, specifically murine models.
Two assembly modes for SIN3 histone deacetylase complexes
Authors: Wang Chengcheng , Guo Zhouyan , Chu Chen , Lu Yichen , Zhang Xiaofeng , Zhan Xiechao
Published: April 2023

The switch-independent 3 (SIN3)/histone deacetylase (HDAC) complexes play essential roles in regulating chromatin accessibility and gene expression. There are two major types of SIN3/HDAC complexes (named SIN3L and SIN3S) targeting different chromatin regions. Here we present the cryo-electron microscopy structures of the SIN3L and SIN3S complexes from Schizosaccharomyces pombe (S. pombe), revealing two distinct assembly modes. In the structure of SIN3L, each Sin3 isoform (Pst1 and Pst3) interacts with one histone deacetylase Clr6, and one WD40-containing protein Prw1, forming two lobes. These two lobes are bridged by two vertical coiled-coil domains from Sds3/Dep1 and Rxt2/Png2, respectively. In the structure of SIN3S, there is only one lobe organized by another Sin3 isoform Pst2; each of the Cph1 and Cph2 binds to an Eaf3 molecule, providing two modules for histone recognition and binding. Notably, the Pst1 Lobe in SIN3L and the Pst2 Lobe in SIN3S adopt similar conformation with their deacetylase active sites exposed to the space; however, the Pst3 Lobe in SIN3L is in a compact state with its active center buried inside and blocked. Our work reveals two classical organization mechanisms for the SIN3/HDAC complexes to achieve specific targeting and provides a framework for studying the histone deacetylase complexes.
Highly variable hearing loss due to POU4F3 (c.37del) is revealed by longitudinal, frequency specific analyses
Authors: Singh Sushma , Penney Cindy , Griffin Anne , Woodland Geoffrey , Werdyani Salem , Benteau Tammy A. , Abdelfatah Nelly , Squires Jessica , King Beverly , Houston Jim , Dyer Matthew J. , Roslin Nicole M. , Vincent Daniel , Marquis Pascale , O’Rielly Darren D. , Hodgkinson Kathy , Burt Taylor , Baker Ashley , Stanton Susan G. , Young Terry-Lynn
Published: April 2023

Genotype-phenotype correlations add value to the management of families with hereditary hearing loss (HL), where age-related typical audiograms (ARTAs) are generated from cross-sectional regression equations and used to predict the audiogram phenotype across the lifespan. A seven-generation kindred with autosomal dominant sensorineural HL (ADSNHL) was recruited and a novel pathogenic variant in POU4F3 (c.37del) was identified by combining linkage analysis with whole exome sequencing (WES). POU4F3 is noted for large intrafamilial variation including the age of onset of HL, audiogram configuration and presence of vestibular impairment. Sequential audiograms and longitudinal analyses reveal highly variable audiogram features among POU4F3 (c.37del) carriers, limiting the utility of ARTAs for clinical prognosis and management of HL. Furthermore, a comparison of ARTAs against three previously published families (1 Israeli Jewish, 2 Dutch) reveals significant interfamilial differences, with earlier onset and slower deterioration. This is the first published report of a North American family with ADSNHL due to POU4F3, the first report of the pathogenic c.37del variant, and the first study to conduct longitudinal analysis, extending the phenotypic spectrum of DFNA15.
Anterior eye parameters and lens thickness measured by an intraoperative OCT and a swept-source OCT: comparison of hyperopic, emmetropic and myopic eyes
Authors: Müller Michael , Wortmann Charlotte , Paul Julia , Pawlowicz Katarzyna , Hemkeppler Eva , Kohnen Thomas , Böhm Myriam
Published: April 2023

Purpose

To evaluate if anterior chamber depth (ACD) and lens thickness (LT) measured by two different devices are affected by different eye lengths.

Methods

ACD and LT of 251 eyes (44 hyperopic, 60 myopic, 147 emmetropic) of 173 patients received with an iOCT-guided femtosecond laser-assisted lens surgery (FLACS) and the IOL Master 700 were compared.

Results

ACD measured with the IOL Master 700 was −0.026 ± 0.125 mm smaller (p = 0.001) than that with the iOCT for all eye-groups (hyperopic: p = 0.601, emmetropic: p = 0.003; myopic: p = 0.094). However, differences in all groups were not clinically relevant. LT measurements (all eyes: −0.0642 ± 0.0504 mm) shows a statistically significant difference in all evaluated groups (p < 0.001). Only myopic eyes showed a clinically relevant difference in LT.

Conclusion

The two devices show no clinically relevant differences in the eye-length groups (myopic, emmetropic, and hyperopic) for all ACD measurements. LT data shows a clinically relevant difference only for the group of myopic eyes.
Dopant triggered atomic configuration activates water splitting to hydrogen
Authors: Wu Rui , Xu Jie , Zhao Chuan-Lin , Su Xiao-Zhi , Zhang Xiao-Long , Zheng Ya-Rong , Yang Feng-Yi , Zheng Xu-Sheng , Zhu Jun-Fa , Luo Jun , Li Wei-Xue , Gao Min-Rui , Yu Shu-Hong
Published: April 2023

Finding highly efficient hydrogen evolution reaction (HER) catalysts is pertinent to the ultimate goal of transformation into a net-zero carbon emission society. The design principles for such HER catalysts lie in the well-known structure-property relationship, which guides the synthesis procedure that creates catalyst with target properties such as catalytic activity. Here we report a general strategy to synthesize 10 kinds of single-atom-doped CoSe2-DETA (DETA = diethylenetriamine) nanobelts. By systematically analyzing these products, we demonstrate a volcano-shape correlation between HER activity and Co atomic configuration (ratio of Co-N bonds to Co-Se bonds). Specifically, Pb-CoSe2-DETA catalyst reaches current density of 10 mA cm−2 at 74 mV in acidic electrolyte (0.5 M H2SO4, pH ~0.35). This striking catalytic performance can be attributed to its optimized Co atomic configuration induced by single-atom doping.
Influenza virus mRNAs encode determinants for nuclear export via the cellular TREX-2 complex
Authors: Bhat Prasanna , Aksenova Vasilisa , Gazzara Matthew , Rex Emily A. , Aslam Sadaf , Haddad Christina , Gao Shengyan , Esparza Matthew , Cagatay Tolga , Batten Kimberly , El Zahed Sara S. , Arnaoutov Alexei , Zhong Hualin , Shay Jerry W. , Tolbert Blanton S. , Dasso Mary , Lynch Kristen W. , García-Sastre Adolfo , Fontoura Beatriz M. A.
Published: April 2023

Nuclear export of influenza A virus (IAV) mRNAs occurs through the nuclear pore complex (NPC). Using the Auxin-Induced Degron (AID) system to rapidly degrade proteins, we show that among the nucleoporins localized at the nucleoplasmic side of the NPC, TPR is the key nucleoporin required for nuclear export of influenza virus mRNAs. TPR recruits the TRanscription and EXport complex (TREX)−2 to the NPC for exporting a subset of cellular mRNAs. By degrading components of the TREX-2 complex (GANP, Germinal-center Associated Nuclear Protein; PCID2, PCI domain containing 2), we show that influenza mRNAs require the TREX-2 complex for nuclear export and replication. Furthermore, we found that cellular mRNAs whose export is dependent on GANP have a small number of exons, a high mean exon length, long 3’ UTR, and low GC content. Some of these features are shared by influenza virus mRNAs. Additionally, we identified a 45 nucleotide RNA signal from influenza virus HA mRNA that is sufficient to mediate GANP-dependent mRNA export. Thus, we report a role for the TREX-2 complex in nuclear export of influenza mRNAs and identified RNA determinants associated with the TREX-2-dependent mRNA export.
Transcription tuned by S-nitrosylation underlies a mechanism for Staphylococcus aureus to circumvent vancomycin killing
Authors: Shu Xueqin , Shi Yingying , Huang Yi , Yu Dan , Sun Baolin
Published: April 2023

Treatment of Staphylococcus aureus infections is a constant challenge due to emerging resistance to vancomycin, a last-resort drug. S-nitrosylation, the covalent attachment of a nitric oxide (NO) group to a cysteine thiol, mediates redox-based signaling for eukaryotic cellular functions. However, its role in bacteria is largely unknown. Here, proteomic analysis revealed that S-nitrosylation is a prominent growth feature of vancomycin-intermediate S. aureus. Deletion of NO synthase (NOS) or removal of S-nitrosylation from the redox-sensitive regulator MgrA or WalR resulted in thinner cell walls and increased vancomycin susceptibility, which was due to attenuated promoter binding and released repression of genes involved in cell wall metabolism. These genes failed to respond to H2O2-induced oxidation, suggesting distinct transcriptional responses to alternative modifications of the cysteine residue. Furthermore, treatment with a NOS inhibitor significantly decreased vancomycin resistance in S. aureus. This study reveals that transcriptional regulation via S-nitrosylation underlies a mechanism for NO-mediated bacterial antibiotic resistance.
Enhanced osmotic transport in individual double-walled carbon nanotube
Authors: Cui Guandong , Xu Zhi , Li Han , Zhang Shuchen , Xu Luping , Siria Alessandro , Ma Ming
Published: April 2023

The transport of fluid and ions across nanotubes or nanochannels has attracted great attention due to the ultrahigh energy power density and slip length, with applications in water purification, desalination, energy conversion and even ion-based neuromorphic computing. Investigation on individual nanotube or nanochannel is essential in revealing the fundamental mechanism as well as demonstrating the property unambiguously. Surprisingly, while carbon nanotube is the pioneering and one of the most attractive systems for nanofluidics, study on its response and performance under osmotic forcing is lacking. Here, we measure the osmotic energy conversion for individual double-walled carbon nanotube with an inner radius of 2.3 nm. By fabricating a nanofluidic device using photolithography, we find a giant power density (up to 22.5 kW/m2) for the transport of KCl, NaCl, and LiCl solutions across the tube. Further experiments show that such an extraordinary performance originates from the ultrahigh slip lengths (up to a few micrometers). Our results suggest that carbon nanotube is a good candidate for not only ultrafast transport, but also osmotic power harvesting under salinity gradients.
A DBHS family member regulates male determination in the filariasis vector Armigeres subalbatus
Authors: Liu Peiwen , Yang Wenqiang , Kong Ling , Zhao Siyu , Xie Zhensheng , Zhao Yijie , Wu Yang , Guo Yijia , Xie Yugu , Liu Tong , Jin Binbin , Gu Jinbao , Tu Zhijian Jake , James Anthony A. , Chen Xiao-Guang
Published: April 2023

The initial signals governing sex determination vary widely among insects. Here we show that Armigeres subalbatus M factor (AsuMf), a male-specific duplication of an autosomal gene of the Drosophila behaviour/human splicing (DBHS) gene family, is the potential primary signal for sex determination in the human filariasis vector mosquito, Ar. subalbatus. Our results show that AsuMf satisfies two fundamental requirements of an M factor: male-specific expression and early embryonic expression. Ablations of AsuMf result in a shift from male- to female-specific splicing of doublesex and fruitless, leading to feminization of males both in morphology and general transcription profile. These data support the conclusion that AsuMf is essential for male development in Ar. subalbatus and reveal a male-determining factor that is derived from duplication and subsequent neofunctionalization of a member of the conserved DBHS family.
Structural-disorder-driven critical quantum fluctuation and localization in two-dimensional semiconductors
Authors: Shin Bong Gyu , Park Ji-Hoon , Juo Jz-Yuan , Kong Jing , Jung Soon Jung
Published: April 2023

Quantum fluctuations of wavefunctions in disorder-driven quantum phase transitions (QPT) exhibit criticality, as evidenced by their multifractality and power law behavior. However, understanding the metal-insulator transition (MIT) as a continuous QPT in a disordered system has been challenging due to fundamental issues such as the lack of an apparent order parameter and its dynamical nature. Here, we elucidate the universal mechanism underlying the structural-disorder-driven MIT in 2D semiconductors through autocorrelation and multifractality of quantum fluctuations. The structural disorder causes curvature-induced band gap fluctuations, leading to charge localization and formation of band tails near band edges. As doping level increases, the localization-delocalization transition occurs when states above a critical energy become uniform due to unusual band bending by localized charge. Furthermore, curvature induces local variations in spin-orbit interactions, resulting in non-uniform ferromagnetic domains. Our findings demonstrate that the structural disorder in 2D materials is essential to understanding the intricate phenomena associated with localization-delocalization transition, charge percolation, and spin glass with both topological and magnetic disorders.
3D genome mapping identifies subgroup-specific chromosome conformations and tumor-dependency genes in ependymoma
Authors: Okonechnikov Konstantin , Camgöz Aylin , Chapman Owen , Wani Sameena , Park Donglim Esther , Hübner Jens-Martin , Chakraborty Abhijit , Pagadala Meghana , Bump Rosalind , Chandran Sahaana , Kraft Katerina , Acuna-Hidalgo Rocio , Reid Derek , Sikkink Kristin , Mauermann Monika , Juarez Edwin F. , Jenseit Anne , Robinson James T. , Pajtler Kristian W. , Milde Till , Jäger Natalie , Fiesel Petra , Morgan Ling , Sridhar Sunita , Coufal Nicole G. , Levy Michael , Malicki Denise , Hobbs Charlotte , Kingsmore Stephen , Nahas Shareef , Snuderl Matija , Crawford John , Wechsler-Reya Robert J. , Davidson Tom Belle , Cotter Jennifer , Michaiel George , Fleischhack Gudrun , Mundlos Stefan , Schmitt Anthony , Carter Hannah , Michealraj Kulandaimanuvel Antony , Kumar Sachin A. , Taylor Michael D. , Rich Jeremy , Buchholz Frank , Mesirov Jill P. , Pfister Stefan M. , Ay Ferhat , Dixon Jesse R. , Kool Marcel , Chavez Lukas
Published: April 2023

Ependymoma is a tumor of the brain or spinal cord. The two most common and aggressive molecular groups of ependymoma are the supratentorial ZFTA-fusion associated and the posterior fossa ependymoma group A. In both groups, tumors occur mainly in young children and frequently recur after treatment. Although molecular mechanisms underlying these diseases have recently been uncovered, they remain difficult to target and innovative therapeutic approaches are urgently needed. Here, we use genome-wide chromosome conformation capture (Hi-C), complemented with CTCF and H3K27ac ChIP-seq, as well as gene expression and DNA methylation analysis in primary and relapsed ependymoma tumors, to identify chromosomal conformations and regulatory mechanisms associated with aberrant gene expression. In particular, we observe the formation of new topologically associating domains (‘neo-TADs’) caused by structural variants, group-specific 3D chromatin loops, and the replacement of CTCF insulators by DNA hyper-methylation. Through inhibition experiments, we validate that genes implicated by these 3D genome conformations are essential for the survival of patient-derived ependymoma models in a group-specific manner. Thus, this study extends our ability to reveal tumor-dependency genes by 3D genome conformations even in tumors that lack targetable genetic alterations.
The prognostic value and immune microenvironment association of AR in HER2+ nonmetastatic breast cancer
Authors: Zhou Danyang , Li Mei , Yasin Mohamed Hussein , Lu Qianyi , Fu Jia , Jiang Kuikui , Hong Ruoxi , Wang Shusen , Xu Fei
Published: April 2023

This study aimed to investigate the prognostic value of AR in HER2+ nonmetastatic breast invasive ductal carcinoma (IDC) and its relationship with the immune microenvironment. HER2+ nonmetastatic breast IDC patients diagnosed by pathology who underwent surgery at Sun Yat-sen University Cancer Center from 2016 to 2017 were included. AR+ and AR− breast IDC samples were matched 1:1 in age, T stage, and N stage for immune infiltration analysis. A total of 554 patients with HER2+ nonmetastatic breast cancer were included in this retrospective study, regardless of HR status. The cut-off value for AR was set at 10%. ER+ (p < 0.001) and PR+ (p < 0.001) were associated with positive AR expression. Kaplan–Meier survival curve analysis suggested that AR was closely correlated with overall survival (OS) (p = 0.001) but not disease-free survival (DFS) (p = 0.051). After eliminating the potential impact caused by HR, AR also predicted longer OS (p = 0.014) and was an independent predictive factor for OS of HER2+HR− nonmetastatic breast IDC patients, as revealed by multivariate analysis (p = 0.036). For AR+ and AR− matched HER2+HR− patients, TILs (p = 0.043) and PD-L1 (p = 0.027) levels were significantly lower in AR+ patients. The strongest negative correlation was observed between AR and PD-L1 (Pearson’s r = −0.299, p = 0.001). AR+ status was markedly related to better OS in HER2+HR− nonmetastatic breast cancer patients, while a negative correlation was observed between AR and PD-L1/TILs. We provide new insights into the prognostic value of AR and its association with the immune microenvironment to optimize treatment strategies in HER2+ nonmetastatic breast IDCs.
Putting hornets on the genomic map
Authors: Favreau Emeline , Cini Alessandro , Taylor Daisy , Câmara Ferreira Francisco , Bentley Michael A. , Cappa Federico , Cervo Rita , Privman Eyal , Schneider Jadesada , Thiéry Denis , Mashoodh Rahia , Wyatt Christopher D. R. , Brown Robert L. , Bodrug-Schepers Alexandrina , Stralis-Pavese Nancy , Dohm Juliane C. , Mead Daniel , Himmelbauer Heinz , Guigo Roderic , Sumner Seirian
Published: April 2023

Hornets are the largest of the social wasps, and are important regulators of insect populations in their native ranges. Hornets are also very successful as invasive species, with often devastating economic, ecological and societal effects. Understanding why these wasps are such successful invaders is critical to managing future introductions and minimising impact on native biodiversity. Critical to the management toolkit is a comprehensive genomic resource for these insects. Here we provide the annotated genomes for two hornets,Vespa crabroandVespa velutina.We compare their genomes with those of other social Hymenoptera, including the northern giant hornetVespa mandarinia. The three hornet genomes show evidence of selection pressure on genes associated with reproduction, which might facilitate the transition into invasive ranges.Vespa crabrohas experienced positive selection on the highest number of genes, including those putatively associated with molecular binding and olfactory systems. Caste-specific brain transcriptomic analysis also revealed 133 differentially expressed genes, some of which are associated with olfactory functions. This report provides a spring-board for advancing our understanding of the evolution and ecology of hornets, and opens up opportunities for using molecular methods in the future management of both native and invasive populations of these over-looked insects.
Dendrites help mitigate the plasticity-stability dilemma
Authors: Wilmes Katharina A. , Clopath Claudia
Published: April 2023

With Hebbian learning ‘who fires together wires together’, well-known problems arise. Hebbian plasticity can cause unstable network dynamics and overwrite stored memories. Because the known homeostatic plasticity mechanisms tend to be too slow to combat unstable dynamics, it has been proposed that plasticity must be highly gated and synaptic strengths limited. While solving the issue of stability, gating and limiting plasticity does not solve the stability-plasticity dilemma. We propose that dendrites enable both stable network dynamics and considerable synaptic changes, as they allow the gating of plasticity in a compartment-specific manner. We investigate how gating plasticity influences network stability in plastic balanced spiking networks of neurons with dendrites. We compare how different ways to gate plasticity, namely via modulating excitability, learning rate, and inhibition increase stability. We investigate how dendritic versus perisomatic gating allows for different amounts of weight changes in stable networks. We suggest that the compartmentalisation of pyramidal cells enables dendritic synaptic changes while maintaining stability. We show that the coupling between dendrite and soma is critical for the plasticity-stability trade-off. Finally, we show that spatially restricted plasticity additionally improves stability.
Effect of distance measures on confidences of t-SNE embeddings and its implications on clustering for scRNA-seq data
Authors: Ozgode Yigin Busra , Saygili Gorkem
Published: April 2023

Arguably one of the most famous dimensionality reduction algorithms of today is t-distributed stochastic neighbor embedding (t-SNE). Although being widely used for the visualization of scRNA-seq data, it is prone to errors as any algorithm and may lead to inaccurate interpretations of the visualized data. A reasonable way to avoid misinterpretations is to quantify the reliability of the visualizations. The focus of this work is first to find the best possible way to predict sample-based confidence scores for t-SNE embeddings and next, to use these confidence scores to improve the clustering algorithms. We adopt an RF regression algorithm using seven distance measures as features for having the sample-based confidence scores with a variety of different distance measures. The best configuration is used to assess the clustering improvement using K-means and Density-Based Spatial Clustering of Applications with Noise (DBSCAN) based on Adjusted Rank Index (ARI), Normalized Mutual Information (NMI), and accuracy (ACC) scores. The experimental results show that distance measures have a considerable effect on the precision of confidence scores and clustering performance can be improved substantially if these confidence scores are incorporated before the clustering algorithm. Our findings reveal the usefulness of these confidence scores on downstream analyses for scRNA-seq data.
Positive maternal affect during mother–litter interaction is reduced in new mother rats exhibiting a depression-like phenotype
Authors: Tuncali Idil , Sorial Natalie , Torr Kali , Pereira Mariana
Published: April 2023

The experience of positive affect during new motherhood is considered essential for a healthy mother–infant relationship, with life-long consequences for both mother and child. Affective availability and contingent responsiveness are often compromised in mothers experiencing postpartum depression, yet how maternal affect impacts parenting is not fully understood. In this study, we used the Wistar-Kyoto (WKY) rat model of depression and ultrasonic vocalizations to examine the relationship between maternal affect and parenting. We examined the affective and behavioral response of WKY and control new mother rats during social interactions with their offspring. Our results show that WKY mothers displayed altered USV signaling accompanying substantial disturbances in their maternal caregiving. In addition, WKY mothers failed to adjust vocal frequency in coordination with offspring proximity and interaction compared to control mothers. A follow up experiment demonstrated that the administration of the adenosine A2A receptor antagonist MSX-3 ameliorated both maternal behavioral deficits and low positive affect in WKY mothers. Together, our results highlight the importance of maternal positive affect in the dyad relationship and suggest a role for the striatopallidal pathway in the affective processing of parenting.
Cr$$_2$$AlN and the search for the highest temperature superconductor in the M$$_2$$AX family
Authors: Karaca E. , Byrne P. J. P. , Hasnip P. J. , Probert M. I. J.
Published: April 2023

We have developed a high-throughput computational method to predict the superconducting transition temperature in stable hexagonal M$$_2$$

2

AX phases, and applied it to all the known possible choices for M (M: Sc, Ti, V, Cr, Mn, Fe, Y, Zr, Nb, Mo, Lu, Hf and Ta). We combine this with the best candidates for A (A: Al, Cu, Ge and Sn ) and X (X: C and N) from our previous work, and predict T$$_c$$

c

for 60 M$$_2$$

2

AX-phase materials, 53 of which have never been studied before. From all of these, we identify Cr$$_2$$

2

AlN as the best candidate for the highest T$$_c$$

c

, and confirm its high T$$_c$$

c

with more detailed density functional theory electron-phonon coupling calculations. Our detailed calculations predict $$T_c$$

T
c

= 14.8 K for Cr$$_2$$

2

AlN, which is significantly higher than any $$T_c$$

T
c

value known or predicted for any material in the M$$_2$$

2

AX family to date.
Outcomes for an arboreal folivore after rehabilitation and implications for management
Authors: Leigh Kellie A. , Hofweber Lacey N. , Sloggett Brienna K. , Inman Victoria L. , Pettit Lachlan J. , Sriram Aditi , Haering Ron
Published: April 2023

Wildlife rehabilitation is a critical part of animal welfare that contributes to species conservation. Despite the resources that go into rehabilitation, how animals fare after release from care is unknown. This is particularly true for cryptic arboreal species where specialist diets in care and low detectability in the wild present challenges for both care and post-release monitoring. We evaluated post-release outcomes for koalas and assessed if koalas were fed appropriately while in care. We monitored 36 koalas that had experienced one of three categories of medical intervention (none, minor, major) during rehabilitation. We examined the drivers of (i) koala survival and (ii) movements post-release, and (iii) evaluated variation between the species of browse fed in care versus browse selected by koalas in-situ. Overall, the post release survival rate of koalas was 58.5%, with only koalas that received medical intervention experiencing mortality. A critical threshold for mortality occurred at two weeks post-release and mortality was related to the measurable indicators of low body condition and poor climbing ability at time of release. In the month following their release, animals translocated furthest from their capture point moved the furthest. There was poor overlap between the tree species that koalas were fed in care and those they utilized post-release. We provide recommendations to address critical gaps in rehabilitation practices, as well as priorities for monitoring animals post-release to improve outcomes for arboreal folivores.
Degeneration of muscle spindles in a murine model of Pompe disease
Authors: Watkins Bridgette , Schultheiß Jürgen , Rafuna Andi , Hintze Stefan , Meinke Peter , Schoser Benedikt , Kröger Stephan
Published: April 2023

Pompe disease is a debilitating medical condition caused by a functional deficiency of lysosomal acid alpha-glucosidase (GAA). In addition to muscle weakness, people living with Pompe disease experience motor coordination deficits including an instable gait and posture. We reasoned that an impaired muscle spindle function might contribute to these deficiencies and therefore analyzed proprioception as well as muscle spindle structure and function in 4- and 8-month-old Gaa−/− mice. Gait analyses showed a reduced inter-limb and inter-paw coordination in Gaa−/− mice. Electrophysiological analyses of single-unit muscle spindle proprioceptive afferents revealed an impaired sensitivity of the dynamic and static component of the stretch response. Finally, a progressive degeneration of the sensory neuron and of the intrafusal fibers was detectable in Gaa−/− mice. We observed an increased abundance and size of lysosomes, a fragmentation of the inner and outer connective tissue capsule and a buildup of autophagic vacuoles in muscle spindles from 8-month-old Gaa−/− mice, indicating lysosomal defects and an impaired autophagocytosis. These results demonstrate a structural and functional degeneration of muscle spindles and an altered motor coordination in Gaa−/− mice. Similar changes could contribute to the impaired motor coordination in patients living with Pompe disease.
Tendon compliance and preload must be considered when determining the in vivo force–velocity relationship from the torque–angular velocity relation
Authors: Holzer Denis , Millard Matthew , Hahn Daniel , Siebert Tobias , Schwirtz Ansgar , Seiberl Wolfgang
Published: April 2023

In vivo, the force–velocity relation (F–v–r) is typically derived from the torque–angular velocity relation (T–ω–r), which is subject to two factors that may influence resulting measurements: tendon compliance and preload prior to contraction. The in vivo plantar flexors’ T–ω–r was determined during preloaded maximum voluntary shortening contractions at 0–200°/s. Additionally, we used a two factor block simulation study design to independently analyze the effects of preload and tendon compliance on the resulting T–ω–r. Therefore, we replicated the in vivo experiment using a Hill-type muscle model of the gastrocnemius medialis. The simulation results matched a key pattern observed in our recorded in vivo experimental data: during preloaded contractions, torque output of the muscle was increased when compared with non-preloaded contractions from literature. This effect increased with increasing contraction velocity and can be explained by a rapidly recoiling tendon, allowing the contractile element to contract more slowly, thus developing higher forces compared with non-preloaded contractions. Our simulation results also indicate that a more compliant tendon results in increased ankle joint torques. The simulation and the experimental data clearly show that the deduction of the in vivo F–v–r from the T–ω–r is compromised due to the two factors preloading and tendon compliance.
Associating broad and clinically defined polygenic scores for depression with depression-related phenotypes
Authors: McGeary John E. , Benca-Bachman Chelsie E. , Risner Victoria A. , Beevers Christopher G. , Gibb Brandon E. , Palmer Rohan H. C.
Published: April 2023

Twin studies indicate that 30–40% of the disease liability for depression can be attributed to genetic differences. Here, we assess the explanatory ability of polygenic scores (PGS) based on broad- (PGSBD) and clinical- (PGSMDD) depression summary statistics from the UK Biobank in an independent sample of adults (N = 210; 100% European Ancestry) who were extensively phenotyped for depression and related neurocognitive traits (e.g., rumination, emotion regulation, anhedonia, and resting frontal alpha asymmetry). The UK Biobank-derived PGSBD had small associations with MDD, depression severity, anhedonia, cognitive reappraisal, brooding, and suicidal ideation but only the association with suicidal ideation remained statistically significant after correcting for multiple comparisons. Similarly small associations were observed for the PGSMDD but none remained significant after correcting for multiple comparisons. These findings provide important initial guidance about the expected effect sizes between current UKB PGSs for depression and depression-related neurocognitive phenotypes.
A non-second-gradient model for nonlinear elastic bodies with fibre stiffness
Authors: Shariff M. H. B. M. , Merodio J. , Bustamante R.
Published: April 2023

In the past, to model fibre stiffness of finite-radius fibres, previous finite-strain (nonlinear) models were mainly based on the theory of non-linear strain-gradient (second-gradient) theory or Kirchhoff rod theory. We note that these models characterize the mechanical behaviour of polar transversely isotropic solids with infinitely many purely flexible fibres with zero radius. To introduce the effect of fibre bending stiffness on purely flexible fibres with zero radius, these models assumed the existence of couple stresses (contact torques) and non-symmetric Cauchy stresses. However, these stresses are not present on deformations of actual non-polar elastic solids reinforced by finite-radius fibres. In addition to this, the implementation of boundary conditions for second gradient models is not straightforward and discussion on the effectiveness of strain gradient elasticity models to mechanically describe continuum solids is still ongoing. In this paper, we develop a constitutive equation for a non-linear non-polar elastic solid, reinforced by embedded fibers, in which elastic resistance of the fibers to bending is modelled via the classical branches of continuum mechanics, where the development of the theory of stresses is based on non-polar materials; that is, without using the second gradient theory, which is associated with couple stresses and non-symmetric Cauchy stresses. In view of this, the proposed model is simple and somewhat more realistic compared to previous second gradient models.
A big data-based prediction model for prostate cancer incidence in Japanese men
Authors: Kato Mineyuki , Horiguchi Go , Ueda Takashi , Fujihara Atsuko , Hongo Fumiya , Okihara Koji , Marunaka Yoshinori , Teramukai Satoshi , Ukimura Osamu
Published: April 2023

To define a normal range for PSA values (ng/mL) by age and create a prediction model for prostate cancer incidence. We conducted a retrospective analysis using 263,073 observations of PSA values in Japanese men aged 18–98 years (2007–2017), including healthy men and those diagnosed with prostate cancer. Percentiles for 262,639 PSA observations in healthy men aged 18–70 years were calculated and plotted to elucidate the normal fluctuation range for PSA values by age. Univariable and multivariable logistic regression analyses were performed to develop a predictive model for prostate cancer incidence. PSA levels and PSA velocity increased with age in healthy men. However, there was no difference in PSA velocity with age in men diagnosed with prostate cancer. Logistic regression analysis showed an increased risk of prostate cancer for PSA slopes ranging from 0.5 to 3.5 ng/mL/year. This study provides age-specific normal fluctuation ranges for PSA levels in men aged 18–75 years and presents a novel and personalized prediction model for prostate cancer incidence. We found that PSA slope values of > 3.5 ng/mL/year may indicate a rapid increase in PSA levels caused by pathological condition such as inflammation but are unlikely to indicate cancer risk.
TUT4/7-mediated uridylation of a coronavirus subgenomic RNAs delays viral replication
Authors: Gupta Ankit , Li Yin , Chen Shih-Heng , Papas Brian N. , Martin Negin P. , Morgan Marcos
Published: April 2023

Coronaviruses are positive-strand RNA viruses with 3′ polyadenylated genomes and subgenomic transcripts. The lengths of the viral poly(A) tails change during infection by mechanisms that remain poorly understood. Here, we use a splint-ligation method to measure the poly(A) tail length and poly(A) terminal uridylation and guanylation of the mouse hepatitis virus (MHV) RNAs. Upon infection of 17-CL1 cells with MHV, a member of the Betacoronavirus genus, we observe two populations of terminally uridylated viral transcripts, one with poly(A) tails ~44 nucleotides long and the other with poly(A) tails shorter than ~22 nucleotides. The mammalian terminal uridylyl-transferase 4 (TUT4) and terminal uridylyl-transferase 7 (TUT7), referred to as TUT4/7, add non-templated uracils to the 3′-end of endogenous transcripts with poly(A) tails shorter than ~30 nucleotides to trigger transcript decay. Here we find that depletion of the host TUT4/7 results in an increased replication capacity of the MHV virus. At late stages of infection, the population of uridylated subgenomic RNAs with tails shorter than ~22 nucleotides is reduced in the absence of TUT4/7 while the viral RNA load increases. Our findings indicate that TUT4/7 uridylation marks the MHV subgenomic RNAs for decay and delays viral replication.
Hydrogen and helium trapping in hcp beryllium
Authors: Zimber Nikolai , Lammer Judith , Vladimirov Pavel , Kothleitner Gerald , Keast Vicki J. , Dürrschnabel Michael , Klimenkov Michael
Published: April 2023

Even though hydrogen-metal surface interactions play an important role in energy technologies and metal corrosion, a thorough understanding of these interactions at the nanoscale remains elusive due to obstructive detection limits in instrumentation and the volatility of pure hydrogen. In the present paper we use analytical spectroscopy in TEM to show that hydrogen adsorbs directly at the (0001) surfaces of hexagonal helium bubbles within neutron irradiated beryllium. In addition to hydrogen, we also found Al, Si and Mg at the beryllium-bubble interfaces. The strong attraction of these elements to (0001) surfaces is underlined with ab-initio calculations. In situ TEM heating experiments reveal that hydrogen can desorb from the bubble walls at T ≥ 400 °C if the helium content is reduced by opening the bubbles. Based on our results we suggest the formation of a complex hydride consisting of up to five elements with a remarkably high decomposition temperature. These results therefore promise novel insights into metal-hydrogen interaction behavior and are invaluable for the safety of future fusion power plants.
Comment on “Carbon content drives high temperature superconductivity in a carbonaceous sulfur hydride below 100 GPa” by G. A. Smith, I. E. Collings, E. Snider, D. Smith, S. Petitgirard, J. S. Smith, M. White, E. Jones, P. Ellison, K. V. Lawler, R. P. Dias and A. Salamat, Chem. Commun., 2022, 58, 9064
Authors: Hirsch J. E.
Published: April 2023

The mathematical finding presented here undermines confidence in the claim that any of the experimental evidence reported in the published paper reflects the properties of real physical samples of CSH.
Lanthanide–radical single-molecule magnets: current status and future challenges
Authors: Li Hong-Dao , Wu Si-Guo , Tong Ming-Liang
Published: April 2023

This feature article summarizes the most up-to-date advances of lanthanide–radical compounds with single-molecule magnet behavior, including the design, synthesis and magnetic properties.
Engineering strategies and active site identification of MXene-based catalysts for electrochemical conversion reactions
Authors: Zhao Yufei , Zhang Jinqiang , Guo Xin , Cao Xianjun , Wang Shijian , Liu Hao , Wang Guoxiu
Published: April 2023

This review summarizes engineering strategies to modify MXene-based catalysts and their active site identification for applications in electrochemical conversion reactions.
Pre-emergence herbicidal efficiency and uptake of atrazine-loaded zein nanoparticles: a sustainable alternative to weed control
Authors: Carvalho Lucas Bragança , Godoy Isabela Silva , Preisler Ana Cristina , de Freitas Proença Patrícia Luiza , Saraiva-Santos Telma , Verri Waldiceu Aparecido , Oliveira Halley Caixeta , Dalazen Giliardi , Fraceto Leonardo Fernandes
Published: April 2023

This study reports the development of zein nanoparticles associated with the herbicide atrazine and the pre-emergence activity of this formulation against a target and a non-target plant, its soil mobility and uptake/transport in plant tissues.
Nanoscale electronic transport at graphene/pentacene van der Waals interfaces
Authors: Daher Mansour Michel , Oswald Jacopo , Beretta Davide , Stiefel Michael , Furrer Roman , Calame Michel , Vuillaume Dominique
Published: April 2023

The energetics of graphene/pentacene nanostructures is determined by conductive-AFM measurements combined with analytical models and related to the organization of the pentacene molecules at the interface as deduced from micro-Raman spectroscopy.
In vivoandIn vitroproperties evaluation of curcumin loaded MgO doped 3D printed TCP scaffolds
Authors: Bhattacharjee Arjak , Jo Yongdeok , Bose Susmita
Published: April 2023

A schematic of sample preparation using 3D printing, assessment ofin vivorat distal femur model with the 3D printed curcumin loaded scaffolds, and demonstration ofin vitroproperties including osteosarcoma inhibition and antibacterial properties.
Inner filter effect-based near-infrared fluorescent probe for detection of metronidazole on a smartphone-integrated analytical platform
Authors: Wang Shaojie , Wang Yongbo , Ning Yuanna , Liu Qiming
Published: April 2023

The mechanism of an NIR fluorescent probe based on QD710 for detection of MNZ and fluorometric analysis of MNZ based on a smartphone-integrated platform.
Identification of human milk oligosaccharide positional isomers by combining IMS-CID-IMS and cryogenic IR spectroscopy
Authors: Abikhodr Ali H. , Ben Faleh Ahmed , Warnke Stephan , Yatsyna Vasyl , Rizzo Thomas R.
Published: April 2023

Cryogenic infrared spectra of CID fragments separated by IMS are used to identify human milk oligiosaccharide isomers.
Redox-responsive drug-inhibitor conjugate encapsulated in DSPE-PEG2k micelles for overcoming multidrug resistance to chemotherapy
Authors: Wang Penghui , Wang Yuling , Xia Xuelin , Huang Wei , Yan Deyue
Published: April 2023

A novel drug-inhibitor conjugate prodrug was synthesized and encapsulated in DSPE-PEG2k micelles (PTX-ss-Zos@DSPE-PEG2k NPs), which was used to inhibit MDR tumor growth synergistically.
Color-stable blue light-emitting diodes with defect management by sulfonate
Authors: Yang Guanghong , Tan Xingxing , Zhai Lanlan , Huang He , Wang Yingyu , Jiang Kemin , Yang Yun , Zhang Lijie , Tan Zhan'ao , Wen Haihong , Xu Yuting , Zou Chao
Published: April 2023

Alkali-salt and Lewis base are introduced into quasi-2D perovskite to modulate the phase distribution and serve as a passivating agent, respectively.
Recent advances in zinc–air batteries: self-standing inorganic nanoporous metal films as air cathodes
Authors: Chang Jinfa , Yang Yang
Published: April 2023

This review revisits critical descriptors to assess the performance of Zn–air batteries. The recent progress of inorganic nanoporous metal films as self-standing air electrodesfor Zn–air batteries is systematically summarized and analyzed.
An acid-alkaline furfural hybrid battery for furoate and bipolar hydrogen production
Authors: Zhang Xiaoyi , Zhu Weijie , Zhou Hao , Sun Lin , Wang Zhoucheng , Liang Hanfeng
Published: April 2023

This work develops an acid-alkaline furfural hybrid battery that can simultaneously achieve electricity output and bipolar hydrogen production, as well as furoate synthesis by effectively utilizing electrochemical neutralization energy.
Vacancy effect on the electrocatalytic activity of LaMn1/2Co1/2O3−δ for hydrogen and oxygen evolution reactions
Authors: Alom Md. Sofiul , Ramezanipour Farshid
Published: April 2023

Significant enhancement of electrocatalytic properties is achieved through the incorporation of oxygen-vacancies in a perovskite oxide, while retaining the structure.
A light-fueled dissipative aggregation-induced emission system for time-dependent information encryption
Authors: Yang Caixia , Xiao Hangxiang , Luo Zichen , Tang Li , Dai Bailin , Zhou Ningbo , Liang Enxiang , Wang Guoxiang , Tang Jianxin
Published: April 2023

A light-fueled dissipative aggregation-induced emission (LDAIE) system with reversible AIE fluorescence on/off switching is successfully fabricated, which can show potential in time-dependent information encryption with self-erasing ability.
Copper coordination-based conjugated polymer nanoparticles for synergistic photodynamic and chemodynamic therapy
Authors: Cheng Qiang , Li Yuyan , Huang Wei , Li Ke , Lan Minhuan , Wang Benhua , Wang Jianxiu , Song Xiangzhi
Published: April 2023

By utilizing coordination-driven interaction between the carboxyl group of a conjugated polymer and metal ions, Cu2+ coordination-based conjugated polymer nanoparticles were developed for synergistic photodynamic and chemodynamic therapy for cancer.
Autonomous macroscopic signal deciphering the geometric self-sorting of pillar[n]arenes
Authors: Alam Mujeeb , Sangwan Rekha , Agashe Chinmayee , Gill Arshdeep Kaur , Patra Debabrata
Published: April 2023

In this communication, we have deciphered the geometric self-sorting of pillar[n]arenes by analyzing the fluid flow pattern obtained during the self-assembly of complementary pillar[n]arenes on the surface.
Nitrogen substitution induced lattice contraction in nickel nanoparticles for electrochemical hydrogen evolution from simulated seawater
Authors: Singh Baghendra , Singh Ajit Kumar , Priyadarsini Adyasa , Huang Yu-Cheng , Dey Sanchaita , Ansari Toufik , Shen Shaohua , Lahiri Goutam Kumar , Dong Chung-Li , Mallik Bhabani S. , Indra Arindam
Published: April 2023

Nitrogen substitution in nickel nanoparticles leads to lattice contraction promoting hydrogen evolution activity for simulated seawater.
Research progress of two-dimensional antimonene in energy storage and conversion
Authors: Li Zhe , Cheng Yanjie , Liu Ye , Shi Yunhui
Published: April 2023

Since the first proposal of antimonene in 2015, extensive research attention has been drawn to its application in energy storage and conversion because of its excellent layered structure and fast ion diffusion properties.
The relevance of short peptides for an understanding of unfolded and intrinsically disordered proteins
Authors: Schweitzer-Stenner Reinhard
Published: April 2023

The structure analysis of short peptides in solution produce Ramachandran plots reflecting the structural propensities of amino acid residues.
Δ-Machine learning for quantum chemistry prediction of solution-phase molecular properties at the ground and excited states
Authors: Chen Xu , Li Pinyuan , Hruska Eugen , Liu Fang
Published: April 2023

We investigated the various factors impacting the performance of Δ-machine learning (Δ-ML) solution phase molecular properties.
A general binary isotherm model for amines interacting with CO2 and H2O
Authors: Kaneko Yuta , Lackner Klaus S.
Published: April 2023

Starting from an isotherm theory of aqueous ammonia, we derive general binary CO2–H2O isotherm equations for amines.
Study on the mechanism of NOx reduction by NH3-SCR over a ZnXCu1−XFe2O4 catalyst
Authors: Ouyang Taoyuan , Bai Yaoning , Wang Xu , Li Xinru , Yan Yuwei , Wang Zichen , Jiang Xiaodi , Cai Xiaoming , Cai Jinming , Tan Honglin
Published: April 2023

Experimental evidence shows that CuFe2O4 exhibits excellent catalytic performance in the SCR reaction.
Dissecting the species-specific recognition of Neoseptin 3 by TLR4/MD2 via molecular dynamics simulations
Authors: Wu Siru , Zhang Cong , Wang Yibo , Li Penghui , Du Xiubo , Wang Xiaohui
Published: April 2023

The species-specific recognition of Neoseptin 3 by TLR4/MD2 from mouse and human species was dissected by molecular dynamics simulations.
Plasmonic and catalytic Au NBP@AgPd nanoframes for highly efficient photocatalytic reactions
Authors: Xu Juan , Xu Haiying , Xu Lihui , Ruan Qifeng , Zhu Xingzhong , Kan Caixia , Shi Daning
Published: April 2023

Au NBP@AgPd nanoframes are synthesized at different conditions and are demonstrated to be promising photocatalysts for Suzuki coupling reactions.