bluuebunny/crossref_metadata_2025 huggingface dataset:
Compartment-specific mutational landscape of clonal hematopoiesis
Authors: Hartmann Luise , Hecker Judith S. , Rothenberg-Thurley Maja , Rivière Jennifer , Jentzsch Madlen , Ksienzyk Bianka , Buck Michèle C. , van der Garde Mark , Fischer Luise , Winter Susann , Rauner Martina , Tsourdi Elena , Weidner Heike , Sockel Katja , Schneider Marie , Kubasch Anne S. , Nolde Martin , Hausmann Dominikus , Lützner Jörg , Goralski Szymon , Bassermann Florian , Spiekermann Karsten , Hofbauer Lorenz C. , Schwind Sebastian , Platzbecker Uwe , Götze Katharina S. , Metzeler Klaus H.
Published: September 2022

Clonal hematopoiesis (CH) is characterized by somatic mutations in blood cells of individuals without hematologic disease. While the mutational landscape of CH in peripheral blood (PB) has been well characterized, detailed analyses addressing its spatial and cellular distribution in the bone marrow (BM) compartment are sparse. We studied CH driver mutations in healthy individuals (n = 261) across different anatomical and cellular compartments. Variant allele frequencies were higher in BM than PB and positively correlated with the number of driver variants, yet remained stable during a median of 12 months of follow-up. In CH carriers undergoing simultaneous bilateral hip replacement, we detected ASXL1-mutant clones in one anatomical location but not the contralateral side, indicating intra-patient spatial heterogeneity. Analyses of lineage involvement in ASXL1-mutated CH showed enriched clonality in BM stem and myeloid progenitor cells, while lymphocytes were particularly involved in individuals carrying the c.1934dupG variant, indicating different ASXL1 mutations may have distinct lineage distribution patterns. Patients with overt myeloid malignancies showed higher mutation numbers and allele frequencies and a shifting mutation landscape, notably characterized by increasing prevalence of DNMT3A codon R882 variants. Collectively, our data provide novel insights into the genetics, evolution, and spatial and lineage-specific BM involvement of CH.
An epigenetic mechanism for over-consolidation of fear memories
Authors: Barchiesi Riccardo , Chanthongdee Kanat , Petrella Michele , Xu Li , Söderholm Simon , Domi Esi , Augier Gaelle , Coppola Andrea , Wiskerke Joost , Szczot Ilona , Domi Ana , Adermark Louise , Augier Eric , Cantù Claudio , Heilig Markus , Barbier Estelle
Published: September 2022

Excessive fear is a hallmark of anxiety disorders, a major cause of disease burden worldwide. Substantial evidence supports a role of prefrontal cortex-amygdala circuits in the regulation of fear and anxiety, but the molecular mechanisms that regulate their activity remain poorly understood. Here, we show that downregulation of the histone methyltransferase PRDM2 in the dorsomedial prefrontal cortex enhances fear expression by modulating fear memory consolidation. We further show that Prdm2 knock-down (KD) in neurons that project from the dorsomedial prefrontal cortex to the basolateral amygdala (dmPFC-BLA) promotes increased fear expression. Prdm2 KD in the dmPFC-BLA circuit also resulted in increased expression of genes involved in synaptogenesis, suggesting that Prdm2 KD modulates consolidation of conditioned fear by modifying synaptic strength at dmPFC-BLA projection targets. Consistent with an enhanced synaptic efficacy, we found that dmPFC Prdm2 KD increased glutamatergic release probability in the BLA and increased the activity of BLA neurons in response to fear-associated cues. Together, our findings provide a new molecular mechanism for excessive fear responses, wherein PRDM2 modulates the dmPFC -BLA circuit through specific transcriptomic changes.
VAL1 acts as an assembly platform co-ordinating co-transcriptional repression and chromatin regulation at Arabidopsis FLC
Authors: Mikulski Pawel , Wolff Philip , Lu Tiancong , Nielsen Mathias , Echevarria Elsa Franco , Zhu Danling , Questa Julia I. , Saalbach Gerhard , Martins Carlo , Dean Caroline
Published: September 2022

Polycomb (PcG) silencing is crucial for development, but how targets are specified remains incompletely understood. The cold-induced Polycomb Repressive Complex 2 (PRC2) silencing of Arabidopsis thaliana FLOWERING LOCUS C (FLC) provides an excellent system to elucidate PcG regulation. Association of the DNA binding protein VAL1 to FLC PcG nucleation regionis an important step. VAL1 co-immunoprecipitates APOPTOSIS AND SPLICING ASSOCIATED PROTEIN (ASAP) complex and PRC1. Here, we show that ASAP and PRC1 are necessary for co-transcriptional repression and chromatin regulation at FLC. ASAP mutants affect FLC transcription in warm conditions, but the rate of FLC silencing in the cold is unaffected. PRC1-mediated H2Aub accumulation increases at the FLC nucleation region during cold, but unlike the PRC2-delivered H3K27me3, does not spread across the locus. H2Aub thus involved in the transition to epigenetic silencing at FLC, facilitating H3K27me3 accumulation and long-term epigenetic memory. Overall, our work highlights the importance of VAL1 as an assembly platform co-ordinating activities necessary for epigenetic silencing at FLC.
Magnitude of venous or capillary blood-derived SARS-CoV-2-specific T cell response determines COVID-19 immunity
Authors: Scurr Martin J. , Lippiatt George , Capitani Lorenzo , Bentley Kirsten , Lauder Sarah N. , Smart Kathryn , Somerville Michelle S. , Rees Tara , Stanton Richard J. , Gallimore Awen , Hindley James P. , Godkin Andrew
Published: September 2022

T cells specific for SARS-CoV-2 are thought to protect against infection and development of COVID-19, but direct evidence for this is lacking. Here, we associated whole-blood-based measurement of SARS-CoV-2-specific interferon-γ-positive T cell responses with positive COVID-19 diagnostic (PCR and/or lateral flow) test results up to 6 months post-blood sampling. Amongst 148 participants donating venous blood samples, SARS-CoV-2-specific T cell response magnitude is significantly greater in those who remain protected versus those who become infected (P < 0.0001); relatively low magnitude T cell response results in a 43.2% risk of infection, whereas high magnitude reduces this risk to 5.4%. These findings are recapitulated in a further 299 participants testing a scalable capillary blood-based assay that could facilitate the acquisition of population-scale T cell immunity data (14.9% and 4.4%, respectively). Hence, measurement of SARS-CoV-2-specific T cells can prognosticate infection risk and should be assessed when monitoring individual and population immunity status.
Transcriptomic architecture of nuclei in the marmoset CNS
Authors: Lin Jing-Ping , Kelly Hannah M. , Song Yeajin , Kawaguchi Riki , Geschwind Daniel H. , Jacobson Steven , Reich Daniel S.
Published: September 2022

To understand the cellular composition and region-specific specialization of white matter — a disease-relevant, glia-rich tissue highly expanded in primates relative to rodents — we profiled transcriptomes of ~500,000 nuclei from 19 tissue types of the central nervous system of healthy common marmoset and mapped 87 subclusters spatially onto a 3D MRI atlas. We performed cross-species comparison, explored regulatory pathways, modeled regional intercellular communication, and surveyed cellular determinants of neurological disorders. Here, we analyze this resource and find strong spatial segregation of microglia, oligodendrocyte progenitor cells, and astrocytes. White matter glia are diverse, enriched with genes involved in stimulus-response and biomolecule modification, and predicted to interact with other resident cells more extensively than their gray matter counterparts. Conversely, gray matter glia preserve the expression of neural tube patterning genes into adulthood and share six transcription factors that restrict transcriptome complexity. A companion Callithrix jacchus Primate Cell Atlas (CjPCA) is available through https://cjpca.ninds.nih.gov.
Enantioselective nickel-catalyzed dicarbofunctionalization of 3,3,3-trifluoropropene
Authors: Li Yun-Ze , Rao Na , An Lun , Wan Xiao-Long , Zhang Yanxia , Zhang Xingang
Published: September 2022

Despite paramount applications of chiral trifluoromethylated compounds in medicinal chemistry and materials science, limited strategies have been developed for catalytic asymmetric synthesis of such valuable fluorinated structures. Here, we report a nickel catalyzed enantioselective dicarbofunctionalization of inexpensive industrial chemical 3,3,3-trifluoropropene (TFP) with readily available tertiary alkyl and aryl iodides. The reaction overcomes the β-F elimination side reaction of TFP, and proceeds efficiently under mild reaction conditions. The protocol possesses advantages, such as synthetic convenience, high enantioselectivity, and excellent functional group tolerance, providing rapid and straightforward access to chiral trifluoromethylated compounds of medicinal interest.
Sustainable production of hydrogen with high purity from methanol and water at low temperatures
Authors: Zhang Sai , Liu Yuxuan , Zhang Mingkai , Ma Yuanyuan , Hu Jun , Qu Yongquan
Published: September 2022

Carbon neutrality initiative has stimulated the development of the sustainable methodologies for hydrogen generation and safe storage. Aqueous-phase reforming methanol and H2O (APRM) has attracted the particular interests for their high gravimetric density and easy availability. Thus, to efficiently release hydrogen and significantly suppress CO generation at low temperatures without any additives is the sustainable pursuit of APRM. Herein, we demonstrate that the dual-active sites of Pt single-atoms and frustrated Lewis pairs (FLPs) on porous nanorods of CeO2 enable the efficient additive-free H2 generation with a low CO (0.027%) through APRM at 120 °C. Mechanism investigations illustrate that the Pt single-atoms and Lewis acidic sites cooperatively promote the activation of methanol. With the help of a spontaneous water dissociation on FLPs, Pt single-atoms exhibit a significantly improved reforming of *CO to promote H2 production and suppress CO generation. This finding provides a promising path towards the flexible hydrogen utilizations.
Fuel exploitation and environmental degradation at the Iron Age copper industry of the Timna Valley, southern Israel
Authors: Cavanagh Mark , Ben-Yosef Erez , Langgut Dafna
Published: September 2022

Economic and industrial progress frequently comes at the expense of environmental sustainability. For the early Iron Age (~ eleventh to ninth centuries BCE) smelters of the ancient copper industry of the Timna Valley, southern Israel, where today the hyper-arid Aravah Desert provides sparse vegetation, woody fuel for metallurgical furnaces constituted the greatest limiting factor for continued operations. This study presents the first investigation into the fuel sources relied upon by this industry during its most intensive period, as reflected by hundreds of charcoal samples collected from two well-stratified and chronologically anchored accumulations of industrial waste. The two sites demonstrate similar results: a heavy reliance on the local vegetation, particularlyRetama raetam(white broom) and the ecologically significantAcaciaspp. (acacia thorn trees), two high-calorific and high-burning taxa best suited for such purposes. It was also observed that over the course of the industry, the search for fuel expanded, as evidenced by the later appearance of taxa unsuited for the prevailing regional conditions, hinting at the detrimental toll the industry took on the local ecosystem. Altogether, it is suggested that the lucrative copper industry ended due to limits in the availability of fuel, caused by anthropogenic hastening of desertification and environmental degradation.
Differential privacy medical data publishing method based on attribute correlation
Authors: Zhang Siqi , Li Xiaohui
Published: September 2022

The advent of the era of big data promotes the further development of medicine, and data release is an important step in it. The existing medical data release methods mostly use the k-anonymity model as the basis for data protection. With the advancement of technology, anonymous models are progressively less resistant to consistency attacks and background knowledge attacks. In order to better protect the private information of patients, this paper makes two major contributions: (1) The method of calculating the correlation between attributes is used to ensure the validity of the data after the data is released; (2) On the basis of the previous step, combined with the difference privacy-preserving model and tree model, this paper proposes an attribute association-based differential privacy classification tree data publishing method (ACDP-Tree). In this paper, simulation experiments are carried out on real medical data sets. The experimental results show that the algorithm ensures the validity and availability of the data to a certain extent while ensuring that the patient's privacy is not leaked.
Significantly different roles of economic affluence in sex-specific obesity prevalence rates: understanding more modifications within female body weight management
Authors: You Wenpeng , Henneberg Maciej
Published: September 2022

Socioeconomic status has been associated with obesity prevalence increase in both males and females worldwide. We examined the magnitude of the difference between the two relationships and explored the independence of both relationships. Country specific data on gross domestic product (GDP) per capita, sex-specific obesity prevalence rates, urbanisation, total calories availability and level of obesity, genetic background accumulation (measured by the Biological State Index, Ibs) were obtained for 191 countries. Curvilinear regressions, bivariate and partial correlations, linear mixed models and multivariate linear regression analyses were used to examine the relationship between GDP and obesity prevalence rates in males and females respectively. Fisher’s r-to-z transformation, F-test and R2increment in multivariate regression were used to compare results for males and females. GDP significantly correlated with sex-specific obesity prevalence rates, but significantly more strongly with male obesity prevalence in bivariate correlation analyses. These relationships remained independent of calories availability, Ibsand urbanization in partial correlation model. Stepwise multiple regression identified that GDP was a significant predictor of obesity prevalence in both sexes. Multivariate stepwise regression showed that, when adding GDP as an obesity prevalence predictor, the absolute increment of R2in male fit model (0.046) was almost four (4) times greater than the absolute increment in female model fit (0.012). The Stepwise analyses also revealed that 68.0% of male but only 37.4% of female obesity prevalence rates were explained by the total contributing effects of GDP, Ibs, urbanization and calories availability. In both Pearson’s r and nonparametric analyses, GDP contributes significantly more to male obesity than to female obesity in both developed and developing countries. GDP also determined the significant regional variation in male, but not female obesity prevalence. GDP may contribute to obesity prevalence significantly more in males than in females regardless of the confounding effects of Ibs, urbanization and calories. This may suggest that aetiologies for female obesity are much more complex than for males and more confounders should be included in the future studies when data are available.
A T-CNN time series classification method based on Gram matrix
Authors: Wang Junlu , Li Su , Ji Wanting , Jiang Tian , Song Baoyan
Published: September 2022

Time series classification is a basic task in the field of streaming data event analysis and data mining. The existing time series classification methods have the problems of low classification accuracy and low efficiency. To solve these problems, this paper proposes a T-CNN time series classification method based on a Gram matrix. Specifically, we perform wavelet threshold denoising on time series to filter normal curve noise, and propose a lossless transformation method based on the Gram matrix, which converts the time series to the time domain image and retains all the information of events. Then, we propose an improved CNN time series classification method, which introduces the Toeplitz convolution kernel matrix into convolution layer calculation. Finally, we introduce a Triplet network to calculate the similarity between similar events and different classes of events, and optimize the squared loss function of CNN. The proposed T-CNN model can accelerate the convergence rate of gradient descent and improve classification accuracy. Experimental results show that, compared with the existing methods, our T-CNN time series classification method has great advantages in efficiency and accuracy.
Development of artificial intelligence for automated measurement of cervical lordosis on lateral radiographs
Authors: Fujimori Takahito , Suzuki Yuki , Takenaka Shota , Kita Kosuke , Kanie Yuya , Kaito Takashi , Ukon Yuichiro , Watabe Tadashi , Nakajima Nozomu , Kido Shoji , Okada Seiji
Published: September 2022

Cervical sagittal alignment is an essential parameter for the evaluation of spine disorders. Manual measurement is time-consuming and burdensome to measurers. Artificial intelligence (AI) in the form of convolutional neural networks has begun to be used to measure x-rays. This study aimed to develop AI for automated measurement of lordosis on lateral cervical x-rays. We included 4546 cervical x-rays from 1674 patients. For all x-rays, the caudal endplates of C2 and C7 were labeled based on consensus among well-experienced spine surgeons, the data for which were used as ground truth. This ground truth was split into training data and test data, and the AI model learned the training data. The absolute error of the AI measurements relative to the ground truth for 4546 x-rays was determined by fivefold cross-validation. Additionally, the absolute error of AI measurements was compared with the error of other 2 surgeons’ measurements on 415 radiographs of 168 randomly selected patients. In fivefold cross-validation, the absolute error of the AI model was 3.3° in the average and 2.2° in the median. For comparison of other surgeons, the mean absolute error for measurement of 168 patients was 3.1° ± 3.4° for the AI model, 3.9° ± 3.4° for Surgeon 1, and 3.8° ± 4.7° for Surgeon 2. The AI model had a significantly smaller error than Surgeon 1 and Surgeon 2 (P = 0.002 and 0.036). This algorithm is available at (https://ykszk.github.io/c2c7demo/). The AI model measured cervical spine alignment with better accuracy than surgeons. AI can assist in routine medical care and can be helpful in research that measures large numbers of images. However, because of the large errors in rare cases such as highly deformed ones, AI may, in principle, be limited to assisting humans.
Zinc detection in oil-polluted marine environment by stripping voltammetry with mercury-free nanoporous gold electrode
Authors: Clochard M.-C. , Oral O. , Wade T. L. , Cavani O. , Castellino M. , Ligiero L. Medina , Elan T.
Published: September 2022

Detection of Zn(II) in oil-polluted seawater via square-wave anodic stripping voltammetry (SW-ASV) utilizing thin gold electrodes sputtered onto nanoporous poly(acrylic acid)-grafted-poly(vinylidene difluoride) (PAA-g-PVDF) membrane is herein reported. Prior to SW-ASV, PAA grafted nanopores demonstrated to efficiently trap Zn(II) ions at open circuit. This passive adsorption followed a Langmuir law. An affinity constant of 1.41 L $$\upmu $$
μ
mol$$^{-1}$$

-
1

and a maximum Zn(II) adsorbed mass q$$_{max}$$

max

of 1.21 $$\upmu $$
μ
mol g$$^{-1}$$

-
1

were found. Applied SW-ASV protocol implied an accumulation step (− 1.2 V for 120 s) followed by a stripping step (− 1.2 to 1 V; 25 Hz; step: 4 mV; amplitude: 25 mV; acetate buffer (pH 5.5)). It revealed a Zn redox potential at − 0.8 V (Ag/AgCl pseudo-reference). Multiple measurements in synthetic waters close to the composition of production waters exhibited a decreasing precision with the number of readings R (1.65$$\%$$
%
(R = 2) and 6.56$$\%$$
%
(R = 3)). These membrane-electrodes should be used as disposable. The intra-batch mean precision was 14$$\%$$
%
(n = 3) while inter-batches precision was 20$$\%$$
%
(n = 15). Linear and linear-log calibrations allow exploitation of Zn(II) concentrations ranging from 10 to 500 $$\upmu $$
μ
g L$$^{-1}$$

-
1

and 100 to 1000 $$\upmu $$
μ
g L$$^{-1}$$

-
1

respectively. The LOD was 4.2 $$\upmu $$
μ
g L$$^{-1}$$

-
1

(3S/N). Thanks to obtained calibration, a detected Zn(II) content of 1 ppm in a raw production water from North Sea oil platform was determined.
ZIKV-envelope proteins induce specific humoral and cellular immunity in distinct mice strains
Authors: Lunardelli Victória Alves Santos , de Souza Apostolico Juliana , Souza Higo Fernando Santos , Coirada Fernanda Caroline , Martinho Jéssica Amaral , Astray Renato Mancini , Boscardin Silvia Beatriz , Rosa Daniela Santoro
Published: September 2022

Recent outbreaks of Zika virus (ZIKV) infection have highlighted the need for a better understanding of ZIKV-specific immune responses. The ZIKV envelope glycoprotein (EZIKV) is the most abundant protein on the virus surface and it is the main target of the protective immune response. EZIKV protein contains the central domain (EDI), a dimerization domain containing the fusion peptide (EDII), and a domain that binds to the cell surface receptor (EDIII). In this study, we performed a systematic comparison of the specific immune response induced by different EZIKV recombinant proteins (EZIKV, EDI/IIZIKV or EDIIIZIKV) in two mice strains. Immunization induced high titers of E-specific antibodies which recognized ZIKV-infected cells and neutralized the virus. Furthermore, immunization with EZIKV, EDI/IIZIKV and EDIIIZIKV proteins induced specific IFNγ-producing cells and polyfunctional CD4+ and CD8+ T cells. Finally, we identified 4 peptides present in the envelope protein (E1–20, E51–70, E351–370 and E361–380), capable of inducing a cellular immune response to the H-2Kd and H-2Kb haplotypes. In summary, our work provides a detailed assessment of the immune responses induced after immunization with different regions of the ZIKV envelope protein.
Bottom-up plasma-enhanced atomic layer deposition of SiO2 by utilizing growth inhibition using NH3 plasma pre-treatment for seamless gap-fill process
Authors: Choi Yoenju , Kim Taehoon , Lee Hangyul , Park Jusung , Park Juhwan , Ryu Dongho , Jeon Woojin
Published: September 2022

The design-rule shrinkage in semiconductor devices is a challenge at every step of the integration process. In the gap-fill process for isolation, the seam and void formation cannot be suppressed by using a deposition process, which even has excellent step coverage. To achieve seamless gap fill in the high-aspect-ratio structure, which has a non-ideal etch profile such as a negative slope, the deposition process should be able to realize the “bottom-up growth” behavior. In this work, the bottom-up growth of a SiO2 plasma-enhanced atomic layer deposition (PE-ALD) process in a trench structure was investigated by using a growth inhibition process employing plasma treatment. N2 and NH3 plasma pre-treatments were employed to suppress the growth of the SiO2 PE-ALD process without any contamination, and the inhibition mechanism was investigated by performing surface chemistry analyses using X-ray photoelectron spectroscopy. Furthermore, the gap-fill characteristics of the SiO2 PE-ALD process were examined, depending on the process conditions of NH3 plasma pre-treatment, by performing cross-sectional field emission scanning electron microscopy measurements. Finally, a seamless gap-fill process in a high-aspect-ratio trench pattern was achieved by the bottom-up growth behavior of SiO2 PE-ALD using NH3 plasma pre-treatment.
Diversity of endophytic bacterial microbiota in grapevine shoot xylems varies depending on wine grape-growing region, cultivar, and shoot growth stage
Authors: Hamaoka Kazuhiro , Aoki Yoshinao , Takahashi Sayuri , Enoki Shinichi , Yamamoto Kosuke , Tanaka Keisuke , Suzuki Shunji
Published: September 2022

Next-generation sequencing technology may clarify microbiota that are as yet poorly understood in the soil, the rhizosphere, and the phyllosphere of vineyards. To provide new information on the interaction between grapevine and microorganisms, we focused on the endophytic microbiota in grapevine. We performed endophytic microbiome analysis of the shoot xylems of four cultivars,Vitis viniferacvs. Chardonnay, Pinot Noir, Cabernet Sauvignon, andVitissp. cv. Koshu, grown in eleven vineyards in Japan. The number of endophytic fungal species was small in the grapevine shoot xylems and could not be analyzed further, whereas a total of 7,019,600 amplicon sequences (46,642–285,003 per shoot xylem) and 1305 bacterial operational taxonomic units were obtained by analysis of the V3–V4 region of the bacterial 16S rRNA gene. Gammaproteobacteria was predominant in the shoot xylems at the shoot elongation stage irrespective of the cultivar, whereas Alphaproteobacteria and Oxyphotobacteria were predominant at véraison. Actinobacteria, Bacteroidia, Bacilli, and Clostridia were also detected in the shoot xylems. The endophytic bacterial microbiota in Koshu and Pinot Noir shoot xylems were similar irrespective of the grapevine-growing region. In contrast, the endophytic bacterial microbiota in Chardonnay and Cabernet Sauvignon showed diversity and complexity among grapevine-growing regions. Alpha diversity analysis revealed that Koshu shoot xylems had a higher diversity of endophytic bacterial microbiota than Pinot Noir, Chardonnay, and Cabernet Sauvignon shoot xylems, and that grapevine shoot xylems at the shoot elongation stage had a higher diversity of endophytic bacterial microbiota than those at véraison. Principal coordinate analysis (PCoA) demonstrated that the profiles of the endophytic bacterial microbiota in grapevine shoot xylems at véraison were relatively uniform compared with those at the shoot elongation stage. Multidimensional scaling analysis showed that the plots of all cultivars were generally apart from each other at the shoot elongation stage and then became close to each other at véraison. The plots of all grapevine-growing regions cultivating Koshu were close to each other, whereas those of grapevine-growing regions cultivating Chardonnay and Cabernet Sauvignon were apart from each other. The findings of this study suggest that the endophytic bacterial microbiota in grapevine shoot xylems varied depending on the cultivar and the grapevine-growing region even for the same cultivars, and that the microbiota fluctuated depending on the shoot growth stage.
The impact of environmental factors on the evolution of brain size in carnivorans
Authors: Michaud M. , Toussaint S. L. D. , Gilissen E.
Published: September 2022

The reasons why some animals have developed larger brains has long been a subject of debate. Yet, it remains unclear which selective pressures may favour the encephalization and how it may act during evolution at different taxonomic scales. Here we studied the patterns and tempo of brain evolution within the order Carnivora and present large-scale comparative analysis of the effect of ecological, environmental, social, and physiological variables on relative brain size in a sample of 174 extant carnivoran species. We found a complex pattern of brain size change between carnivoran families with differences in both the rate and diversity of encephalization. Our findings suggest that during carnivorans’ evolution, a trade-off have occurred between the cognitive advantages of acquiring a relatively large brain allowing to adapt to specific environments, and the metabolic costs of the brain which may constitute a disadvantage when facing the need to colonize new environments.
Omega-6 highly unsaturated fatty acids in Leydig cells facilitate male sex hormone production
Authors: Ri Keiken , Lee-Okada Hyeon-Cheol , Yokomizo Takehiko
Published: September 2022

Highly unsaturated fatty acids (HUFAs) are fatty acids with more than three double bonds in the molecule. Mammalian testes contain very high levels of omega-6 HUFAs compared with other tissues. However, the metabolic and biological significance of these HUFAs in the mammalian testis is poorly understood. Here we show that Leydig cells vigorously synthesize omega-6 HUFAs to facilitate male sex hormone production. In the testis, FADS2 (Fatty acid desaturase 2), the rate-limiting enzyme for HUFA biosynthesis, is highly expressed in Leydig cells. In this study, pharmacological and genetic inhibition of FADS2 drastically reduces the production of omega-6 HUFAs and male steroid hormones in Leydig cells; this reduction is significantly rescued by supplementation with omega-6 HUFAs. Mechanistically, hormone-sensitive lipase (HSL; also called LIPE), a lipase that supplies free cholesterol for steroid hormone production, preferentially hydrolyzes HUFA-containing cholesteryl esters as substrates. Taken together, our results demonstrate that Leydig cells highly express FADS2 to facilitate male steroid hormone production by accumulating omega-6 HUFA-containing cholesteryl esters, which serve as preferred substrates for HSL. These findings unveil a previously unrecognized importance of omega-6 HUFAs in the mammalian male reproductive system.
Deep submarine infiltration of altered geothermal groundwater on the south Chilean Margin
Authors: Clementi Vincent J. , Rosenthal Yair , Bova Samantha C. , Thomas Elizabeth K. , Wright James D. , Mortlock Richard A. , Cowling Owen C. , Godfrey Linda V. , Childress Laurel B. ,   Expedition 379T Scientists, Aiello Ivano W. , Avila Alejandro , Biggs William , Charles Christopher D. , Cheung Anson H. , deLong Kimberly , Dove Isabel A. , Du Xiaojing , Estes Emily R. , Fuentes Ursula , García-Lasanta Cristina , Goldstein Steven L. , Golub Anna , Hagemann Julia Rieke , Hatfield Robert G. , Haynes Laura L. , Hess Anya V. , Irvali Nil , Kiro Yael , Monteagudo Minda M. , Lambert Jonathan E. , Li Chen , Longo William M. , McGrath Sarah , Riechelson Hailey , Robinson Rebecca S. , Sarao John , Sproson Adam D. , Taylor Shawn , Yokoyama Yusuke , Yu Siyao M.
Published: September 2022

Submarine groundwater discharge is increasingly recognized as an important component of the oceanic geochemical budget, but knowledge of the distribution of this phenomenon is limited. To date, reports of meteoric inputs to marine sediments are typically limited to shallow shelf and coastal environments, whereas contributions of freshwater along deeper sections of tectonically active margins have generally been attributed to silicate diagenesis, mineral dehydration, or methane hydrate dissociation. Here, using geochemical fingerprinting of pore water data from Site J1003 recovered from the Chilean Margin during D/V JOIDES Resolution Expedition 379 T, we show that substantial offshore freshening reflects deep and focused contributions of meteorically modified geothermal groundwater, which is likely sourced from a reservoir ~2.8 km deep in the Aysén region of Patagonia and infiltrated marine sediments during or shortly after the last glacial period. Emplacement of fossil groundwaters reflects an apparently ubiquitous phenomenon in margin sediments globally, but our results now identify an unappreciated locus of deep submarine groundwater discharge along active margins with potential implications for coastal biogeochemical processes and tectonic instability.
Seasonal microbial dynamics in the ocean inferred from assembled and unassembled data: a view on the unknown biosphere
Authors: Debroas Didier , Hochart Corentin , Galand Pierre E
Published: September 2022

In environmental metagenomic experiments, a very high proportion of the microbial sequencing data (> 70%) remains largely unexploited because rare and closely related genomes are missed in short-read assemblies. The identity and the potential metabolisms of a large fraction of natural microbial communities thus remain inaccessible to researchers. The purpose of this study was to explore the genomic content of unassembled metagenomic data and test their level of novelty. We used data from a three-year microbial metagenomic time series of the NW Mediterranean Sea, and conducted reference-free and database-guided analysis. The results revealed a significant genomic difference between the assembled and unassembled reads. The unassembled reads had a lower mean identity against public databases, and fewer metabolic pathways could be reconstructed. In addition, the unassembled fraction presented a clear temporal pattern, unlike the assembled ones, and a specific community composition that was similar to the rare communities defined by metabarcoding using the 16S rRNA gene. The rare gene pool was characterised by keystone bacterial taxa, and the presence of viruses, suggesting that viral lysis could maintain some taxa in a state of rarity. Our study demonstrates that unassembled metagenomic data can provide important information on the structure and functioning of microbial communities.
Quantitative analysis of heavy metals in soil by X-ray fluorescence with PCA–ANOVA and support vector regression
Authors: Yang Wanqi , Li Fusheng , Zhao Yanchun , Lu Xin , Yang Siyuan , Zhu Pengfei
Published: September 2022

Heavy metal concentration is an important index for evaluating soil pollution.
Recent advances in nanotechnology approaches for non-viral gene therapy
Authors: Jiang Yihang , Fan Miaozhuang , Yang Zhenxu , Liu Xiaochen , Xu Zhourui , Liu Shikang , Feng Gang , Tang Shuo , Li Zhengzheng , Zhang Yibin , Chen Shilin , Yang Chengbin , Law Wing-Cheung , Dong Biqin , Xu Gaixia , Yong Ken-Tye
Published: September 2022

Gene therapy has shown great potential in treating many diseases by downregulating the expression of certain genes. Various functional non-viral vectors have been well designed to enable efficient gene therapy.
Nickel(ii)-catalyzed highly selective 1,2-diborylation of non-activated monosubstituted alkenes
Authors: Zhang Zhi-Kai , Feng Ya-Li , Ruan Zheng , Xu Yuan-Qing , Cao Zhong-Yan , Li Meng-Hua , Wang Chao
Published: September 2022

A practical method for 1,2-diborylation of non-activated monosubstituted alkenesvianickel catalysis has been developed.
Terpolymerization strategy to achieve high-efficiency organic solar cells via construction of D1–A–D1–D2-type polymer donors
Authors: Deng Xiangmeng , Fang Yu , Huang Bin , Liao Fumin , Liu Kunming , Zhang Jialin , Chen Shanshan , Kim Seoyoung , Yang Changduk , Ye Dongnai , Liu Jinbiao , Chen Lie
Published: September 2022

Terpolymerization provides a new approach to improve device efficiency (PCE) by simultaneously increasing fill factor and batch-to-batch reproducibility in OSCs.
Performance enhancement of a self-biased n-ZnO microwire/p-GaN heterojunction ultraviolet photodetector incorporating Ag nanowires
Authors: Xie Yulan , Wan Peng , Jiang Mingming , Liu Yang , Shi Daning , Kan Caixia
Published: September 2022

Performance of a self-biased n-ZnO MW/p-GaN heterojunction ultraviolet photodetector was enhanced by incorporating Ag nanowires.
A natural scheme for the quantitative analysis of the magnetically induced molecular current density using an oriented flux-weighted stagnation graph. I. A minimal example for LiH
Authors: Berger Raphael J. F. , Dimitrova Maria
Published: September 2022

OFW-stagnation graph of LiH with the results from a current density analysis. Assigning the weight values of the line segments forming loops yields uniquely defined vortex fluxes (ring currents): 1.4 + 3.2 = 4.6 nA T−1 (toroidal) and 3.8 nA T−1 (hydride) vortex flux.
Mercurial possibilities: determining site distributions in Cu2HgSnS4 using 63/65Cu, 119Sn, and 199Hg solid-state NMR spectroscopy
Authors: Bhattacharya Amit , Mishra Vidyanshu , Tkachuk Dylan G. , Mar Arthur , Michaelis Vladimir K.
Published: September 2022

Site distribution of Cu (2a, 2c, or 4d) can vary from Cu2ZnSnS4 to Cu2HgSnS4. Leveraging the analytical capabilities of 65Cu solid-state NMR spectroscopy, we solved the site distribution ambiguity between two reported structural models.
Medium dependent optical response in ultra-fine plasmonic nanoparticles
Authors: Sørensen Lasse K. , Khrennikov Daniil E. , Gerasimov Valeriy S. , Ershov Alexander E. , Polyutov Sergey P. , Karpov Sergey V. , Ågren Hans
Published: September 2022

From an atomistic representation of the nanoparticle material we show the importance of surface layer influence and media on the interaction of ultra-fine plasmonic nanoparticles (≤ 8 nm) with radiation.
Cr3X4 (X = Se, Te) monolayers as a new platform to realize robust spin filters, spin diodes and spin valves
Authors: Wu Qihong , Liu Rongkun , Qiu Zhanjun , Li Dengfeng , Li Jie , Wang Xiaotian , Ding Guangqian
Published: September 2022

Top and side views of the device based on Cr3X4 (X = Se, Te) monolayers.
Molecular design of redox carriers for electrochemical CO2 capture and concentration
Authors: Barlow Jeffrey M. , Clarke Lauren E. , Zhang Zisheng , Bím Daniel , Ripley Katelyn M. , Zito Alessandra , Brushett Fikile R. , Alexandrova Anastassia N. , Yang Jenny Y.
Published: September 2022

Developing improved methods for CO2 capture and concentration (CCC) is essential to mitigating the impact of our current emissions and can lead to net carbon negative technologies.
Bulk and interfacial engineering of Ta3N5 nanotube arrays by Sn(iv) doping, proper passivation and co-catalysts for efficient solar water oxidation
Authors: Das Pran Krisna , Arunachalam Maheswari , Sivasankaran Ramesh Poonchi , Ahn Kwang-Soon , Ha Jun-Seok , Kang Soon Hyung
Published: September 2022

Nowadays, photoelectrochemical (PEC) water oxidation is evaluated as an encouraging technology for the production of renewable H2 fuels.
Base-free transfer hydrogenation of aldehydes and ketones catalyzed by imidazolin-2-iminato actinide complexes
Authors: Deka Hemanta , Fridman Natalia , Koneczny Marvin , Tamm Matthias , Eisen Moris S.
Published: September 2022

A series of thorium and uranium complexes decorated with unsymmetrical imidazolin-2-iminato ligands were found to be effective as catalysts in the transfer hydrogenation of aldehydes and ketones with 2-propanol to form the corresponding alcohols.
Density functional theory explorations of parathion and paraoxon hydrolysis as a function of the underlying alkaline environment
Authors: Bresnahan Caitlin G. , McAlexander Harley R. , Woodley Christa M. , Shukla Manoj K.
Published: September 2022

DFT studies of parathion degradation showed the existence of a pentacoordinate intermediate, elucidated pH effects, and verified experimental findings such as parathion's preference to form 4-nitrophenol.
Efficient microwave-assisted selective alkaline hydrolysis of diversely substituted phosphonate esters
Authors: Mele Lucas , El Bekri Saudain Raphael , Pirat Jean-Luc , Virieux David , Ayad Tahar
Published: September 2022

A simple and rapid microwave-assisted protocol for the selective alkaline hydrolysis of phosphonate diesters has been developed to access phosphonic acid monoesters, which are otherwise difficult to obtain by conventional approaches.
A facile one-pot preparation of porphyrin-based microporous organic polymers for adsorption of carbon dioxide, ethane, and methane
Authors: Yan Jun , Liu Zhenghua , Sun Haiyu , Tong Sihan , Guo Shengwei
Published: September 2022

Achieving a cost-effective preparation of 3D porphyrin-based microporous organic polymers (PMOPs) for the adsorption and separation of carbon dioxide (CO2), ethane (C2H6), and methane (CH4) remains difficult.
Post-synthetic modification mechanism for 1D spin crossover coordination polymers
Authors: Enríquez-Cabrera Alejandro , Getzner Livia , Salmon Lionel , Routaboul Lucie , Bousseksou Azzedine
Published: September 2022

Suitable solvent os crucial to achieve a quantitative PSM reaction. Then, this method is not restricted to porous materials.
Pyrene- and 1,3,5-triazine-based D–A two-dimensional polymers for sunlight-driven hydrogen evolution: the influence of the linking pattern
Authors: Yang Jie , Zhai Ming-Ming , Qin Jun-Jie , Liu Yahu A. , Hu Wei-Bo , Yang Hui , Wen Ke
Published: September 2022

Two conjugated organic polymers constructed from electron-rich pyrenes and electron-deficient 2,4,6-triphenyl-1,3,5-triazine demonstrated good photocatalytic hydrogen evolution activity.
A Eu(iii) metal–organic framework based on anthracenyl and alkynyl conjugation as a fluorescence probe for the selective monitoring of Fe3+ and TNP
Authors: Zhao Yue , Wang Chang-An , Li Ji-Kun , Li Qian-Li , Guo Qiang , Ru Jing , Ma Chun-Lin , Han Yin-Feng
Published: September 2022

In this work, Eu-MOF has been synthesized and has excellent luminescence recognition ability for Fe3+ and TNP with good selectivity and high sensitivity via luminescence quenching.
Lattice dynamic stability and electronic structures of ternary hydrides La1−xYxH3via first-principles cluster expansion
Authors: Tsuppayakorn-aek Prutthipong , Sukmas Wiwittawin , Pluengphon Prayoonsak , Inceesungvorn Burapat , Phansuke Piya , Kaewtubtim Pungtip , Ahuja Rajeev , Bovornratanaraks Thiti , Luo Wei
Published: September 2022

Lanthanum hydride compound LaH3 become stabilized by yttrium substitution under the influence of moderate pressure.
Functional block copolymer micelles based on poly (jasmine lactone) for improving the loading efficiency of weakly basic drugs
Authors: Ali Aliaa , Bhadane Rajendra , Asl Afshin Ansari , Wilén Carl-Eric , Salo-Ahen Outi , Rosenholm Jessica M. , Bansal Kuldeep K.
Published: September 2022

Block copolymer micelles with a functional core have been synthesized and evaluated for their drug delivery capability. High drug loading was observed due to strong ionic interactions, while cytotoxicity of polymers was found to be low.
Sr(ii) extraction by crown ether in HFC: entropy driven mechanism through H2PFTOUD
Authors: Shirasaki Kenji , Nagai Mitsuie , Nakase Masahiko , Tabata Chihiro , Sunaga Ayaki , Yaita Tsuyoshi , Yamamura Tomoo
Published: September 2022

The solvent extraction of Sr(ii) was carried out using DCH18C6, and two HFC mixed solvents composed of organic solvents and HFC-43 (HFC-43: 1,1,1,2,2,3,4,5,5,5-decafluoropentane), and two acids (nitric acid and H2PFTOUD).
Stereoselective synthesis of C3-tetrasubstituted oxindoles via copper catalyzed asymmetric propargylation
Authors: Wang Jiao-Mei , Zhao Yu , Yao Chang-Sheng , Zhang Kai
Published: September 2022

Herein, a copper catalyzed asymmetric propargylation of 2-oxindole-3-carboxylate esters with terminal propargylic esters is described.
Scalable synthesis and structural characterization of reversible KLK6 inhibitors
Authors: Baumann Andreas , Isak Daniel , Lohbeck Jasmin , Jagtap Pravin Kumar Ankush , Hennig Janosch , Miller Aubry K.
Published: September 2022

We report scalable syntheses of two potent and selective kallikrein related peptidase 6 (KLK6) inhibitors, as well as X-ray crystal structures of both inhibitors as protein-ligand complexes.
Nano/micrometer porous conductive network structure Li4Ti5O12@C/CNT microspheres with enhanced sodium-storage capability as an anode material
Authors: Zhu Guozhen , Yu Linhe , Yang Qihao , Che Renchao
Published: September 2022

Li4Ti5O12@C/CNT microspheres were prepared by a facile spray drying method, which exhibited long cycling stability (85.45 mA h g−1 after 500 cycles at 500 mA g−1) and excellent rate capability (61.16 mA h g−1 after 10 cycles at 1000 mA g−1).
Reactions of proteins with a few organopalladium compounds of medicinal interest
Authors: Massai Lara , Scattolin Thomas , Tarchi Matteo , Visentin Fabiano , Messori Luigi
Published: September 2022

Pd compounds form a promising class of experimental anticancer drug candidates whose mechanism of action is still largely unknown; in particular, a few organopalladium compounds seem very attractive.
Finite temperature string method with umbrella sampling using path collective variables: application to secondary structure change in a protein
Authors: Kulshrestha Avijeet , Punnathanam Sudeep N. , Ayappa K. Ganapathy
Published: September 2022

The transition of an α-helix to a β-sheet in proteins is among the most complex conformational changes seen in biomolecular systems.
A-site deficiency improved the thermoelectric performance of high-entropy perovskite manganite-based ceramics
Authors: Shi Zongmo , Zhang Junzhan , Wei Jian , Hou Xing , Cao Shuyao , Tong Sijie , Liu Shangyi , Li Xueting , Zhang Ying
Published: September 2022

The thermoelectric properties of perovskite CaMnO3 with A-site defects were synergistically optimized and the lowest κt value of 0.94 W m−1 K−1 was found at 800 °C.
Non-stoichiometric CuxIn1−xS quantum dots for robust photodegradation of gemifloxacin: influencing parameters, intermediates, and insights into the mechanism
Authors: Prusty Deeptimayee , Mansingh Sriram , Das Kundan Kumar , Sahu Jyotirmayee , Parida K. M.
Published: September 2022

Promising 0D non-stoichiometric CuxIn1−xS quantum dots show robust photodegradation towards gemifloxacin under visible light.
Global model of plasma‐activated water over long time scale: Pulsed discharge and afterglow
Authors: Ning Wenjun , Shang Hao , Ji Yiwei , Li Ronghui , Zhao Lihua , Huang Xiaolong , Jia Shenli
Published: September 2022

Plasma‐activated water (PAW) has been utilised in various application fields, and a deep understanding on the plasma chemistry is the foundation of application‐orientated optimisation. In this paper, a global model is built to study the chemical properties of PAW produced by a dielectric barrier discharge that is powered by nanosecond voltage pulses. The applied voltage is firstly repeated with 10 kHz frequency for 100 s, and then shut down for 200 s afterglow, providing a long‐term evolution regarding the production and consumption of some typical reactive oxygen/nitrogen species (RONS) in PAW. The calculated results agree principally with experimental measurements from literature. During the pulsed discharge, the water gradually acidises, and the long‐lived species accumulate; while in the afterglow, most of the aqueous RONS decay rapidly, except for O3aq, , H2O2aq and N2Oaq, which might be the main sources to sustain long‐term effects. Furthermore, the effects of applied voltage and gap distance on RONS are investigated. Correlation analyses from Pearson correlation coefficient indicate that gaseous RONS are more sensitive to the gap distance, while the aqueous ones are more sensitive to the voltage amplitude, suggesting the possibility to independently regulating the gaseous and aqueous chemistry.
Correlation between antioxidant depletion kinetic model and ageing behaviour of cross‐linked polyethylene cable insulation
Authors: Zheng Yingying , Long Yiwei , Yi Delun , Zhang Haoran , Gao Jian , Wu Kangning , Li Jianying
Published: September 2022

A concise kinetic model catering for the antioxidant reaction of thermally aged cross‐linked polyethylene (XLPE) cable insulation before its abrupt performance deterioration is proposed for life prediction and condition assessment. The alternating current breakdown strength, elongation at break, carbonyl index, and pyrolysis activation energy of XLPE insulation are found to consistently display an abrupt change at a certain point of ageing time. This is strongly correlated to the depletion of the antioxidant whose content gradually decreases with ageing time and drops to a critical value, after which the abrupt degradation of the above macroscopic performances happens. Based on the simplified chain reactions of XLPE during thermal‐oxidative ageing, a concise kinetic model about antioxidant prediction is accordingly established by solving the chemical kinetics equations. It indicates that the antioxidant content decays with the reciprocal of time before the abrupt degradation occurs. Results of antioxidant content predicted by the kinetic model at different temperatures matches well with the experimental results, and its reliability can also be proved by the Arrhenius relationship of the obtained results. The kinetic model proposed herein demonstrates satisfying conciseness and thus can be highly feasible in ageing condition assessment and life predicting of XLPE insulation.