bluuebunny/crossref_metadata_2025 huggingface dataset:
Circular RNA circPPP6R3 upregulates CD44 to promote the progression of clear cell renal cell carcinoma via sponging miR-1238-3p
Authors: Chen Zhiliang , Zheng Zaosong , Xie Yingwei , Zhong Qiyu , Shangguan Wentai , Zhang Yishan , Zhu Dingjun , Xie Wenlian
Published: December 2021

Circular RNAs (circRNAs) are a type of covalently closed circular-formed RNAs and play crucial roles in the oncogenesis and progression of various human cancers. Here we identified a novel circRNA, circPPP6R3, to be highly expressed both in clear cell renal cell carcinoma (ccRCC) tissues and cell lines based on analyzing high-throughput sequencing data and qRT-PCR analysis. Highly expressed circPPP6R3 was positively correlated with higher histological grade, T stage, and M stage as well as advanced clinical stage of ccRCC patients. Functionally, knockdown of circPPP6R3 attenuated the proliferation, migration, and invasion of ccRCC cells whereas overexpression had the reverse effects. Mechanistically, the biotin-labeled pull-down assay and dual-luciferase reporter assay revealed that circPPP6R3 directly interacted with miR-1238-3p. miR-1238-3p inhibitors had a rescue effect on the proliferative and metastatic capacities by knockdown of circPPP6R3. Moreover, RNA-sequencing analysis and dual-luciferase reporter assay indicated that circPPP6R3 upregulated CD44, a cell-surface glycoprotein contributed to the cell adhesion and metastasis, via sponging to miR-1238-3p. Further investigation revealed that MMP9 and Vimentin were regulated by CD44 in ccRCC. Our study thus provided evidence that the regulatory network involving circPPP6R3/miR-1238-3p/CD44 axis might provide promising biomarkers as well as a therapeutic approach for ccRCC.
Single-cell transcriptomic analysis reveals the critical molecular pattern of UV-induced cutaneous squamous cell carcinoma
Authors: Yan Guorong , Li Liang , Zhu Sibo , Wu Yuhao , Liu Yeqiang , Zhu Lude , Zhao Zijun , Wu Fei , Jia Ning , Liao Caihe , Jiang Long , Zeng Qingyu , Wang Peiru , Shi Lei , Zheng Zhe , Fang Shan , Zhang Guolong , Tang Yichen , Wang Xiuli
Published: December 2021

Cutaneous squamous cell carcinoma (cSCC) is the second most common nonmelanoma skin cancer characterized by high invasiveness, heterogeneity, and mainly occurs in the ultraviolet (UV)-exposed regions of the skin, but its pathogenesis is still unclear. Here, we generated single-cell transcriptome profiles for 350 cells from six primary UV-induced cSCCs, together with matched adjacent skin samples, and three healthy control skin tissues by single-cell RNA-sequencing technology based on Smart-seq2 strategy. A series of bioinformatics analyses and in vitro experiments were used to decipher and validate the critical molecular pattern of cSCC. Results showed that cSCC cells and normal keratinocytes were significantly distinct in gene expression and chromosomal copy number variation. Furthermore, cSCC cells exhibited 18 hallmark pathways of cancer by gene set enrichment analysis. Differential expression analysis demonstrated that many members belonging to S100 gene family, SPRR gene family, and FABP5 were significantly upregulated in cSCC cells. Further experiments confirmed their upregulation and showed that S100A9 or FABP5 knockdown in cSCC cells inhibited their proliferation and migration through NF-κB pathway. Taken together, our data provide a valuable resource for deciphering the molecular pattern in UV-induced cSCC at a single-cell level and suggest that S100A9 and FABP5 may provide novel targets for therapeutic intervention of cSCC in the future.
The long noncoding RNA H19 regulates tumor plasticity in neuroendocrine prostate cancer
Authors: Singh Neha , Ramnarine Varune R. , Song Jin H. , Pandey Ritu , Padi Sathish K. R. , Nouri Mannan , Olive Virginie , Kobelev Maxim , Okumura Koichi , McCarthy David , Hanna Michelle M. , Mukherjee Piali , Sun Belinda , Lee Benjamin R. , Parker J. Brandon , Chakravarti Debabrata , Warfel Noel A. , Zhou Muhan , Bearss Jeremiah J. , Gibb Ewan A. , Alshalalfa Mohammed , Karnes R. Jefferey , Small Eric J. , Aggarwal Rahul , Feng Felix , Wang Yuzhuo , Buttyan Ralph , Zoubeidi Amina , Rubin Mark , Gleave Martin , Slack Frank J. , Davicioni Elai , Beltran Himisha , Collins Colin , Kraft Andrew S.
Published: December 2021

Neuroendocrine (NE) prostate cancer (NEPC) is a lethal subtype of castration-resistant prostate cancer (PCa) arising either de novo or from transdifferentiated prostate adenocarcinoma following androgen deprivation therapy (ADT). Extensive computational analysis has identified a high degree of association between the long noncoding RNA (lncRNA) H19 and NEPC, with the longest isoform highly expressed in NEPC. H19 regulates PCa lineage plasticity by driving a bidirectional cell identity of NE phenotype (H19 overexpression) or luminal phenotype (H19 knockdown). It contributes to treatment resistance, with the knockdown of H19 re-sensitizing PCa to ADT. It is also essential for the proliferation and invasion of NEPC. H19 levels are negatively regulated by androgen signaling via androgen receptor (AR). When androgen is absent SOX2 levels increase, driving H19 transcription and facilitating transdifferentiation. H19 facilitates the PRC2 complex in regulating methylation changes at H3K27me3/H3K4me3 histone sites of AR-driven and NEPC-related genes. Additionally, this lncRNA induces alterations in genome-wide DNA methylation on CpG sites, further regulating genes associated with the NEPC phenotype. Our clinical data identify H19 as a candidate diagnostic marker and predictive marker of NEPC with elevated H19 levels associated with an increased probability of biochemical recurrence and metastatic disease in patients receiving ADT. Here we report H19 as an early upstream regulator of cell fate, plasticity, and treatment resistance in NEPC that can reverse/transform cells to a treatable form of PCa once therapeutically deactivated.
The genomes of 204 Vitis vinifera accessions reveal the origin of European wine grapes
Authors: Magris Gabriele , Jurman Irena , Fornasiero Alice , Paparelli Eleonora , Schwope Rachel , Marroni Fabio , Di Gaspero Gabriele , Morgante Michele
Published: December 2021

In order to elucidate the still controversial processes that originated European wine grapes from its wild progenitor, here we analyse 204 genomes of Vitis vinifera and show that all analyses support a single domestication event that occurred in Western Asia and was followed by numerous and pervasive introgressions from European wild populations. This admixture generated the so-called international wine grapes that have diffused from Alpine countries worldwide. Across Europe, marked differences in genomic diversity are observed in local varieties that are traditionally cultivated in different wine producing countries, with Italy and France showing the largest diversity. Three genomic regions of reduced genetic diversity are observed, presumably as a consequence of artificial selection. In the lowest diversity region, two candidate genes that gained berry–specific expression in domesticated varieties may contribute to the change in berry size and morphology that makes the fruit attractive for human consumption and adapted for winemaking.
Subclonal heterogeneity and evolution in breast cancer
Authors: Mavrommati Ioanna , Johnson Flora , Echeverria Gloria V. , Natrajan Rachael
Published: December 2021

Subclonal heterogeneity and evolution are characteristics of breast cancer that play a fundamental role in tumour development, progression and resistance to current therapies. In this review, we focus on the recent advances in understanding the epigenetic and transcriptomic changes that occur within breast cancer and their importance in terms of cancer development, progression and therapy resistance with a particular focus on alterations at the single-cell level. Furthermore, we highlight the utility of using single-cell tracing and molecular barcoding methodologies in preclinical models to assess disease evolution and response to therapy. We discuss how the integration of single-cell profiling from patient samples can be used in conjunction with results from preclinical models to untangle the complexities of this disease and identify biomarkers of disease progression, including measures of intra-tumour heterogeneity themselves, and how enhancing this understanding has the potential to uncover new targetable vulnerabilities in breast cancer.
Acute respiratory infections in an adult refugee population: an observational study
Authors: Jablonka Alexandra , Dopfer Christian , Happle Christine , Shalabi Andree , Wetzke Martin , Hummers Eva , Friede Tim , Heinemann Stephanie , Hillermann Nele , Simmenroth Anne , Müller Frank
Published: December 2021

The presence of acute infectious respiratory diseases (ARD) is one of the main reasons why recently arrived refugees seek medical help. This paper investigates the incidence rates of acute respiratory diseases in an adult refugee population as well as associated sociodemographic factors and drug treatments. We conducted a retrospective observational study of deidentified medical records. The data were collected between 2015 and 2019 in the health care centers of two large German initial reception centers for refugees. Multivariable analyses controlling for sociodemographics were carried out using generalized estimating equations. Out of 10,431 eligible residents, 6965 medical encounters of 2840 adult patients were recorded over 30 months. Of all the adult patients, 34.4% sought medical help for a respiratory symptom or diagnosis at least once. Older patients and patients from Sub-Saharan Africa sought help less often. The occurrence of ARD showed a typical distribution over the course of the year. Facility occupancy was not associated with ARD occurrence. Acute respiratory symptoms are a leading cause for adult refugee patients to seek medical care. The doctor contact rates due to ARD were consistently two to three times higher among refugees than among German residents.
Validation of an ecological momentary assessment to measure processing speed and executive function in schizophrenia
Authors: Shvetz Cecelia , Gu Feng , Drodge Jessica , Torous John , Guimond Synthia
Published: December 2021

Cognitive impairments are a core feature of schizophrenia that have negative impacts on functional outcomes. However, it remains challenging to assess these impairments in clinical settings. Smartphone apps provide the opportunity to measure cognitive impairments in an accessible way; however, more research is needed to validate these cognitive assessments in schizophrenia. We assessed the initial accessibility, validity, and reliability of a smartphone-based cognitive test to measure cognition in schizophrenia. A total of 29 individuals with schizophrenia and 34 controls were included in the analyses. Participants completed the standard pen-and-paper Trail Making Tests (TMT) A and B, and smartphone-based versions, Jewels Trail Tests (JTT) A and B, at the single in-lab visit. Participants were asked to complete the JTT remotely once per week for three months. We also investigated how subjective sleep quality and mood may affect cognitive performance longitudinally. In-lab and remote JTT scores moderately and positively correlated with in-lab TMT scores. Moderate test-retest reliability was observed across the in-lab, first remote, and last remote completion times of the JTT. Additionally, individuals with schizophrenia had significantly lower performance compared to controls on both the in-lab JTT and TMT. Self-reported mood had a significant effect on JTT A performance over time but no other significant relationships were found remotely. Our results support the initial accessibility, validity and reliability of using the JTT to measure cognition in schizophrenia. Future research to develop additional smartphone-based cognitive tests as well as with larger samples and in other psychiatric populations are warranted.
Machine learning prediction of antiviral-HPV protein interactions for anti-HPV pharmacotherapy
Authors: Lin Hui-Heng , Zhang Qian-Ru , Kong Xiangjun , Zhang Liuping , Zhang Yong , Tang Yanyan , Xu Hongyan
Published: December 2021

Persistent infection with high-risk types Human Papillomavirus could cause diseases including cervical cancers and oropharyngeal cancers. Nonetheless, so far there is no effective pharmacotherapy for treating the infection from high-risk HPV types, and hence it remains to be a severe threat to the health of female. Based on drug repositioning strategy, we trained and benchmarked multiple machine learning models so as to predict potential effective antiviral drugs for HPV infection in this work. Through optimizing models, measuring models’ predictive performance using 182 pairs of antiviral-target interaction dataset which were all approved by the United States Food and Drug Administration, and benchmarking different models’ predictive performance, we identified the optimized Support Vector Machine and K-Nearest Neighbor classifier with high precision score were the best two predictors (0.80 and 0.85 respectively) amongst classifiers of Support Vector Machine, Random forest, Adaboost, Naïve Bayes, K-Nearest Neighbors, and Logistic regression classifier. We applied these two predictors together and successfully predicted 57 pairs of antiviral-HPV protein interactions from 864 pairs of antiviral-HPV protein associations. Our work provided good drug candidates for anti-HPV drug discovery. So far as we know, we are the first one to conduct such HPV-oriented computational drug repositioning study.
The role of cysteine residues in the allosteric modulation of the chromophore phototransformations of biphotochromic fluorescent protein SAASoti
Authors: Gavshina A. V. , Marynich N. K. , Khrenova M. G. , Solovyev I. D. , Savitsky A. P.
Published: December 2021

Biphotochromic fluorescent protein SAASoti contains five cysteine residues in its sequence and a V127T point mutation transforms it to the monomeric form, mSAASoti. These cysteine residues are located far from the chromophore and might control its properties only allosterically. The influence of individual, double and triple cysteine substitutions of mSAASoti on fluorescent parameters and phototransformation reactions (irreversible green-to-red photoconversion and reversible photoswitching) is studied. A set of mSAASoti mutant forms (C21N, C117S, C71V, C105V, C175A, C21N/C71V, C21N/C175A, C21N/C71G/C175A) is obtained by site-directed mutagenesis. We demonstrate that the C21N variant exists in a monomeric form up to high concentrations, the C71V substitution accelerates photoconversion to the red form and the C105V variant has the maximum photoswitching rate. All C175A-containing variants demonstrate different photoswitching kinetics and decreased photostability during subsequent switching cycles compared with other considered systems. Classical molecular dynamic simulations reveal that the F177 side chain located in the vicinity of the chromophore is considerably more flexible in the mSAASoti compared with its C175A variant. This might be the explanation of the experimentally observed slowdown the thermal relaxation rate, i.e., trans–cis isomerization of the chromophore in mSAASoti upon C175A substitution.
Definitions of bronchopulmonary dysplasia and long-term outcomes of extremely preterm infants in Korean Neonatal Network
Authors: Jeon Ga Won , Oh Minkyung , Chang Yun Sil
Published: December 2021

New definitions for bronchopulmonary dysplasia (BPD) have recently been suggested, and an accurate diagnosis, including severity classification with proper definition, is crucial to identify high-risk infants for appropriate interventions. To determine whether recently suggested BPD definitions can better predict long-term outcomes of BPD in extremely preterm infants (EPIs) than the original BPD definition, BPD was classified with severity 1, 2, and 3 using three different definitions: definition A (original), National Institute of Child Health and Human Development (NICHD) definition in 2001; definition B, the modified NICHD 2016 definition (graded by the oxygen concentration and the respiratory support at 36 weeks’ postmenstrual age [PMA]); and definition C, the modified Jensen 2019 definition (graded by the respiratory support at 36 weeks’ PMA). We evaluated 1050 EPIs using a national cohort. Whereas EPIs with grade 2 or 3 BPD as per definition A did not show any increase in the risk, EPIs with BPD diagnosed by definition B and C showed significantly increased risk for poor outcomes, such as respiratory mortality and morbidities, neurodevelopmental delay, and growth restriction at 18–24 months of corrected age. The recently suggested definition and severity grading better reflects long-term childhood morbidities than the original definition in EPIs.
Zooplankton diversity monitoring strategy for the urban coastal region using metabarcoding analysis
Authors: Song Chi-une , Choi Hyeongwoo , Jeon Min-Seung , Kim Eun-Jeong , Jeong Hyeon Gyeong , Kim Sung , Kim Choong-gon , Hwang Hyenjung , Purnaningtyas Dayu Wiyati , Lee Seok , Eyun Seong-il , Lee Youn-Ho
Published: December 2021

Marine ecosystems in urban coastal areas are exposed to many risks due to human activity. Thus, long-term and continuous monitoring of zooplankton diversity is necessary. High-throughput DNA metabarcoding has gained recognition as an efficient and highly sensitive approach to accurately describing the species diversity of marine zooplankton assemblages. In this study, we collected 30 zooplankton samples at about 2-week intervals for 1 year. Zooplankton diversity showing a typical four season pattern. Of the “total” and “common” zooplankton, we assigned 267 and 64 taxa. The cluster structure and seasonal diversity pattern were rough when only the “common” zooplankton was used. Our study examined how to maximize the benefits of metabarcoding for monitoring zooplankton diversity in urban coastal areas. The results suggest that to take full advantage of metabarcoding when monitoring a zooplankton community, it is necessary to carefully investigate potential ecosystem threats (non-indigenous species) through sufficient curation rather than disregarding low-abundance operational taxonomic units.
On geometry parameterization for simulation-driven design closure of antenna structures
Authors: Koziel Slawomir , Pietrenko-Dabrowska Anna
Published: December 2021

Full-wave electromagnetic (EM) simulation tools have become ubiquitous in antenna design, especially final tuning of geometry parameters. From the reliability standpoint, the recommended realization of EM-driven design is through rigorous numerical optimization. It is a challenging endeavor with the major issues related to the high computational cost of the process, but also the necessity of handling several objectives and constraints over often highly-dimensional parameter spaces. From the numerical perspective, making decisions about the formulation of the optimization problem, the approach to handling the design constraints, but also parameterization of the antenna geometry, are all non-trivial. At the same time, these issues are interleaved, and may play an important role in the performance and reliability of the simulation-based design closure process. This paper demonstrates that the approach to arranging the structure parameterization (e.g., the use of absolute or relative parameters) may have a major effect of the optimization outcome. Our investigations are carried out using three broadband monopole antennas optimized under different scenarios and using different parameterizations. In particular, the results indicate that relative parameterization is preferred for optimization of input characteristics, whereas absolute parameterization is more suitable for size reduction.
Thermopower, figure of merit and Fermi integrals
Authors: Limelette Patrice
Published: December 2021

The thermoelectric efficiency accounting for the conversion of thermal energy into electricity is usually given by the figure of merit which involves three transport coefficients, with the thermopower, the electrical and the thermal conductivities. These coefficients can be defined at a semi-classical level as a function of Fermi integrals which only allow analytical approximations in either highly degenerate or strongly non-degenerate regimes. Otherwise, the intermediate regime which is of interest in order to describe high thermoelectric performance requires numerical calculations. It is shown that these Fermi integrals can actually be calculated and that the transport coefficients can be reformulated accordingly. This allows for a new definition of the figure of merit which covers all the regimes of interest without numerical calculations. This formulation of the Fermi integrals also provides a good starting point in order to perform a power expansion leading to a new approximation relevant for the intermediate regime. It turns out that the transport coefficients can then be expanded by revealing their high temperatures asymptotic behaviors. These results shed new light on the thermoelectric properties of the materials and point out that the analysis of their high temperatures behaviors allow to characterize experimentally the energy dependence in the transport integrals.
Scalable method for bio-based solid foams that mimic wood
Authors: Reichler Mikael , Rabensteiner Samuel , Törnblom Ludwig , Coffeng Sebastian , Viitanen Leevi , Jannuzzi Luisa , Mäkinen Tero , Mac Intyre Jonatan R. , Koivisto Juha , Puisto Antti , Alava Mikko J.
Published: December 2021

Mimicking natural structures allows the exploitation of proven design concepts for advanced material solutions. Here, our inspiration comes from the anisotropic closed cell structure of wood. The bubbles in our fiber reinforced foam are elongated using temperature dependent viscosity of methylcellulose and constricted drying. The oriented structures lead to high yield stress in the primary direction; 64 times larger than compared to the cross direction. The closed cells of the foam also result in excellent thermal insulation. The proposed novel foam manufacturing process is trivial to up-scale from the laboratory trial scale towards production volumes on industrial scales.
VSUGAN unify voice style based on spectrogram and generated adversarial networks
Authors: Ouyang Tongjie , Yang Zhijun , Xie Huilong , Hu Tianlin , Liu Qingmei
Published: December 2021

In course recording, the audio recorded in different pickups and environments can be clearly distinguished and cause style differences after splicing, which influences the quality of recorded courses. A common way to improve the above situation is to use voice style unification. In the present study, we propose a voice style unification model based on generated adversarial networks (VSUGAN) to transfer voice style from the spectrogram. The VSUGAN synthesizes the audio by combining the style information from the audio style template and the voice information from the processed audio. And it allows the audio style unification in different environments without retraining the network for new speakers. Meanwhile, the current VSUGAN is implemented and evaluated on THCHS-30 and VCTK-Corpus corpora. The source code of VSUGAN is available at https://github.com/oy-tj/VSUGAN. In one word, it is demonstrated that the VSUGAN can effectively improve the quality of the recorded audio and reduce the style differences in kinds of environments.
Differential analysis of the bacterial community in colostrum samples from women with gestational diabetes mellitus and obesity
Authors: Gámez-Valdez J. S. , García-Mazcorro J. F. , Montoya-Rincón A. H. , Rodríguez-Reyes D. L. , Jiménez-Blanco G. , Rodríguez M. T. Alanís , de Vaca R. Pérez-Cabeza , Alcorta-García M. R. , Brunck M. , Lara-Díaz V. J. , Licona-Cassani C.
Published: December 2021

Gestational Diabetes Mellitus (GDM) and obesity affect the functioning of multiple maternal systems and influence colonization of the newborn gastrointestinal through the breastmilk microbiota (BMM). It is currently unclear how GDM and obesity affect the human BMM composition. Here, we applied 16S-rRNA high-throughput sequencing to human colostrum milk to characterize BMM taxonomic changes in a cohort of 43 individuals classified in six subgroups according to mothers patho-physiological conditions (healthy control (n = 18), GDM (n = 13), or obesity (n = 12)) and newborn gender. Using various diversity indicators, including Shannon/Faith phylogenetic index and UniFrac/robust Aitchison distances, we evidenced that BMM composition was influenced by the infant gender in the obesity subgroup. In addition, the GDM group presented higher microbial diversity compared to the control group. Staphylococcus, Corynebacterium 1, Anaerococcus and Prevotella were overrepresented in colostrum from women with either obesity or GDM, compared to control samples. Finally, Rhodobacteraceae was distinct for GDM and 5 families (Bdellovibrionaceae, Halomonadaceae, Shewanellaceae, Saccharimonadales and Vibrionaceae) were distinct for obesity subgroups with an absolute effect size greater than 1 and a q-value ≤ 0.05. This study represents the first effort to describe the impact of maternal GDM and obesity on BMM.
Phenological diversity in wild and hybrid grapes (Vitis) from the USDA-ARS cold-hardy grape collection
Authors: Gutierrez Benjamin , Schwaninger Heidi , Meakem Victoria , Londo Jason , Zhong Gan-Yuan
Published: December 2021

Wild grape relatives and hybrids have been useful in breeding for tolerance to biotic and abiotic stress, however, few studies have emphasized wild and hybrid grapevines for phenological diversity. Utilization of phenological diversity in grapevine breeding could facilitate expansion of grape production into more varied climate regions. Budbreak, bloom, and veraison observations for 1583 accessions from 20 taxa from the United States Department of AgricultureVitiscollection in Geneva, New York, USA. Genotypic and species variation were estimated.Vitis viniferaancestry was estimated inVitishybrids using principal components analysis. Observations ranged 26.6–162.1 (79–141 JD) with an average of 82.6 GDD (118 JD) for budbreak, 206.8–1055.2 (141–222 JD) with an average of 371.9 GDD (163 JD) for bloom, and 849.9–1627.0 (202–290 JD) with an average of 1207.9 GDD (235 JD) for veraison. Seasonal correlations were high for bloom and veraison (0.85–0.95) and moderate for budbreak (0.61–0.65). Moderate heritability was estimated for veraison (0.62) and bloom (0.49), and weak heritability for budbreak (0.2). The species effect was greatest in bloom and explained 42% of the variation, with increasing bloom GDD associated with increasing contribution ofV. viniferainVitishybrids.
Liver fibrosis indices are related to diabetic peripheral neuropathy in individuals with type 2 diabetes
Authors: Kim Kyuho , Oh Tae Jung , Cho Hyen Chung , Lee Yun Kyung , Ahn Chang Ho , Koo Bo Kyung , Moon Jae Hoon , Choi Sung Hee , Jang Hak Chul
Published: December 2021

The association between nonalcoholic fatty liver (NAFL) or liver fibrosis and diabetic peripheral neuropathy (DPN) has not been well studied. We aimed to investigate the association of NAFL or liver fibrosis indices and DPN in individuals with type 2 diabetes. In this observational study, we included 264 individuals with type 2 diabetes, and calculated non-alcoholic fatty liver disease (NAFLD) liver fat score, NAFLD fibrosis score, and Fibrosis-4 (FIB-4) index to evaluate the status of NAFLD or liver fibrosis. DPN was diagnosed when the Michigan Neuropathy Screening Instrument—Physical Examination score was ≥ 2.5. The NAFLD fibrosis score and FIB-4 index were significantly higher in individuals with DPN than in those without DPN. Logistic analyses showed that the NAFLD fibrosis score and FIB-4 index were associated with DPN after adjustment for covariates (adjusted odds ratio 1.474 and 1.961, respectively). In the subgroup analysis, this association was only significant in the group with a high NAFLD liver fat score (> − 0.640). Serum levels of fetuin-A, a hepatokine, were decreased in individuals with abnormal vibration perception or 10-g monofilament tests compared with their counterparts. The present study suggests that liver fibrosis might be associated with DPN in individuals with type 2 diabetes.
Native mass spectrometry identifies the HybG chaperone as carrier of the Fe(CN)2CO group during maturation of E. coli [NiFe]-hydrogenase 2
Authors: Arlt Christian , Nutschan Kerstin , Haase Alexander , Ihling Christian , Tänzler Dirk , Sinz Andrea , Sawers R. Gary
Published: December 2021

[NiFe]-hydrogenases activate dihydrogen. Like all [NiFe]-hydrogenases, hydrogenase 2 of Escherichia coli has a bimetallic NiFe(CN)2CO cofactor in its catalytic subunit. Biosynthesis of the Fe(CN)2CO group of the [NiFe]-cofactor occurs on a distinct scaffold complex comprising the HybG and HypD accessory proteins. HybG is a member of the HypC-family of chaperones that confers specificity towards immature hydrogenase catalytic subunits during transfer of the Fe(CN)2CO group. Using native mass spectrometry of an anaerobically isolated HybG–HypD complex we show that HybG carries the Fe(CN)2CO group. Our results also reveal that only HybG, but not HypD, interacts with the apo-form of the catalytic subunit. Finally, HybG was shown to have two distinct, and apparently CO2-related, covalent modifications that depended on the presence of the N-terminal cysteine residue on the protein, possibly representing intermediates during Fe(CN)2CO group biosynthesis. Together, these findings suggest that the HybG chaperone is involved in both biosynthesis and delivery of the Fe(CN)2CO group to its target protein. HybG is thus suggested to shuttle between the assembly complex and the apo-catalytic subunit. This study provides new insights into our understanding of how organometallic cofactor components are assembled on a scaffold complex and transferred to their client proteins.
Human-caused long-term changes in global aridity
Authors: Chai Rongfan , Mao Jiafu , Chen Haishan , Wang Yaoping , Shi Xiaoying , Jin Mingzhou , Zhao Tianbao , Hoffman Forrest M. , Ricciuto Daniel M. , Wullschleger Stan D.
Published: December 2021

Widespread aridification of the land surface causes substantial environmental challenges and is generally well documented. However, the mechanisms underlying increased aridity remain relatively underexplored. Here, we investigated the anthropogenic and natural factors affecting long-term global aridity changes using multisource observation-based aridity index, factorial simulations from the Coupled Model Intercomparison Project phase 6 (CMIP6), and rigorous detection and attribution (D&A) methods. Our study found that anthropogenic forcings, mainly rising greenhouse gas emissions (GHGE) and aerosols, caused the increased aridification of the globe and each hemisphere with high statistical confidence for 1965–2014; the GHGE contributed to drying trends, whereas the aerosol emissions led to wetting tendencies; moreover, the bias-corrected CMIP6 future aridity index based on the scaling factors from optimal D&A demonstrated greater aridification than the original simulations. These findings highlight the dominant role of human effects on increasing aridification at broad spatial scales, implying future reductions in aridity will rely primarily on the GHGE mitigation.
Tailored design of nanofiltration membranes for water treatment based on synthesis–property–performance relationships
Authors: Wang Kunpeng , Wang Xiaomao , Januszewski Brielle , Liu Yanling , Li Danyang , Fu Ruoyu , Elimelech Menachem , Huang Xia
Published: December 2021

This review article is devoted to bridging the conventional and newly-developed NF membranes with the potential environmental applications by systematically discussing the synthesis–property–performance relationships.
Preparation and characterization of carrageenan-embedded lanthanum iron oxide nanocomposite for efficient removal of arsenite ions from water
Authors: Mudhulkar Raju , Damarla Krishnaiah , Pappula Venkata Narayana
Published: December 2021

Fabrication of lanthanum iron oxide nanosurface by a natural polysaccharide, carrageenan to develop nanocomposite useful for the removal of As3+ from water. Eco-friendly, easily separable, low cost CA-LaFeNPs could efficiently remove As3+.
LC-HRMS studies on ruxolitinib degradation: a comprehensive approach during drug development
Authors: Thakkar Harsh , Sharma Kalyani , Goyal Nancy , Shah Ravi P.
Published: December 2021

Ruxolitinib degrdation products and their elution behaviour for impurity profilling.
Intercalation electrochemistry for thermoelectric energy harvesting from temperature fluctuations
Authors: Heubner Christian , Liebmann Tobias , Schneider Michael , Michaelis Alexander
Published: December 2021

A new concept of thermal energy harvesting is proposed that combines the advantages of thermo-electrochemical cells and pyroelectrics.
Manipulating excited state reactivity and selectivity through hydrogen bonding – from solid state reactivity to Brønsted acid photocatalysis
Authors: Baburaj Sruthy , Valloli Lakshmy Kannadi , Parthiban Jayachandran , Garg Dipti , Sivaguru Jayaraman
Published: December 2021

This feature article highlights the role of different hydrogen bonding templates in enhancing and controlling excited state processes with an eye towards the development of Brønsted acid mediated organo-photocatalysts for asymmetric photochemical transformations.
Effects of trace Si impurities in water on the growth of calcite nanoparticles
Authors: Kezuka Yuki , Murata Hidenobu , Yoshida Maya , Eguchi Kenichiro , Nakahira Atsushi , Tajika Masahiko
Published: December 2021

Si impurities act as proton buffers in water and prevent the formation of the alkaline environment required for calcite growth.
Post-synthetic modification within MOFs: a valuable strategy for modulating their ferroelectric performance
Authors: Liu Meiying , Liang Jingjing , Tian Yadong , Liu Zhiliang
Published: December 2021

It is a great route designing new MOF ferroelectrics to enrich the scope of ferroelectrics or improving the ferroelectric performance to enhance the opportunity of applications through the strategy of post-synthetic modification (PSM).
Insights into the impact of photophysical processes and defect state evolution on the emission properties of surface-modified ZnO nanoplates for application in photocatalysis and hybrid LEDs
Authors: Banerjee Dhritiman , Banerjee Payal , Kar Asit Kumar
Published: December 2021

A complementary role of photophysical processes and defect states in surface-modified ZnO nanoparticles for photocatalysis and HyLED applications.
Energy decomposition analysis method for metallic systems
Authors: Chen Han , Skylaris Chris-Kriton
Published: December 2021

In this work, we present the first extension of an energy decomposition analysis (EDA) method to metallic systems.
Vacuum ultraviolet photochemistry of sulfuric acid vapor: a combined experimental and theoretical study
Authors: Zhang Cuihong , Lin Xiaoxiao , Tang Xiaofeng , Fittschen Christa , Hartweg Sebastian , Garcia Gustavo A. , Long Bo , Zhang Weijun , Nahon Laurent
Published: December 2021

VUV photoionization of gas-phase H2SO4 has been studied by using i2PEPICO. Three electronic states of H2SO4+ have been prepared and their ionization energies are determined, as well as the adiabatic appearance energy of fragments.
Understanding and suppressing non-radiative losses in methylammonium-free wide-bandgap perovskite solar cells
Authors: Oliver Robert D. J. , Caprioglio Pietro , Peña-Camargo Francisco , Buizza Leonardo R. V. , Zu Fengshuo , Ramadan Alexandra J. , Motti Silvia G. , Mahesh Suhas , McCarthy Melissa M. , Warby Jonathan H. , Lin Yen-Hung , Koch Norbert , Albrecht Steve , Herz Laura M. , Johnston Michael B. , Neher Dieter , Stolterfoht Martin , Snaith Henry J.
Published: December 2021

We identify the limiting factors of wide bandgap metal halide perovskite solar cells. To overcome these losses, we developed an efficient optimisation strategy and outline the necessary steps for the continued development of these perovskites.
Strategies of regulating Zn2+solvation structures for dendrite-free and side reaction-suppressed zinc-ion batteries
Authors: Cao Jin , Zhang Dongdong , Zhang Xinyu , Zeng Zhiyuan , Qin Jiaqian , Huang Yunhui
Published: December 2021

This review gives a comprehensive introduction of the solvation structure regulation strategies for dendrite-free and side reaction-suppressed zinc-ion batteries, and further proposes the potential directions and perspectives for further research.
Heteroconjugates of quercetin with 4′-O-sulfate selectively accumulate in rat plasma due to limited urinary excretion
Authors: Tanaka Seiya , Trakooncharoenvit Aphichat , Nishikawa Miyu , Ikushiro Shinichi , Hara Hiroshi
Published: December 2021

Seven positional isomers of quercetin heteroconjugates were identified and quantified in rat plasma and urine. Heteroconjugates with 4′-sulfate were hardly excreted into urine and accumulate in plasma.
Solution-based low-temperature CsPbI3 nanoparticle perovskite solar cells
Authors: Dayan Shpatz Adva , Rahmany Stav , Marion Flatken , Binyamin Tal , Hoell Armin , Abate Antonio , Etgar Lioz
Published: December 2021

This work reports on low-temperature inorganic CsPbI3 perovskite nanostructures synthesized as the active black phase, without the additional use of organic ligands and based only on CsI and PbI2 precursors.
Dielectric switching from a high temperature plastic phase transition in two organic salts with chiral features
Authors: Ying Tingting , Huang Yanle , Song Ning , Tan Yuhui , Tang Yunzhi , Sun Zhen , Zhuang Jiachang , Dong Xingxian
Published: December 2021

Two organic ionic crystals were successfully synthesized, namely [N(CH2CH3)3(CH2Cl)][ClO4] (1) and [N(CH2CH3)3(CH2Cl)][BF4] (2), with high-temperature reversible phase transitions. In addition, compounds 1 and 2 also show obvious CD signals.
Contributions of supercritical fluid technology for advancing decellularization and postprocessing of viable biological materials
Authors: Duarte Marta M. , Silva Inês V. , Eisenhut Anthony R. , Bionda Nina , Duarte Ana Rita C. , Oliveira Ana L.
Published: December 2021

This review summarizes relevant literature on scCO2-assisted decellularization, and discusses major topics dominating the field, such as mechanism of action, effect of cosolvent and operational parameters, and range of results across different works.
Integrated proteomic and metabolomic analyses of the mitochondrial neurodegenerative disease MELAS
Authors: Li Haorong , Uittenbogaard Martine , Navarro Ryan , Ahmed Mustafa , Gropman Andrea , Chiaramello Anne , Hao Ling
Published: December 2021

Integrated proteomics and metabolomics of patient fibroblasts revealed dysregulations in arginine biosynthesis, OXPHOS complexes, and bioenergetic pathways in MELAS, a mitochondrial neurodegenerative disease caused by mitochondrial DNA mutations.
Biotechnological synthesis of Pd-based nanoparticle catalysts
Authors: Egan-Morriss Christopher , Kimber Richard L. , Powell Nigel A. , Lloyd Jonathan R.
Published: December 2021

Cell supported Pd metal nanoparticles are sustainably synthesisedviamicrobial bioreduction. Bio-Pd nanoparticles are effective heterogeneous catalysts that catalyse industrially important reactions, such as hydrogenation and C–C coupling reactions.
Strong acid-promoted skeletal remodeling of the aphid pigment: red uroleuconaphin to green viridaphin
Authors: Ozakai Chiharu , Kitamura Kei , Horikawa Mitsuyo , Hoshiyama To-sho , Imamura Akari , Yoneyama Tatsuro , Umeyama Akemi , Noji Masaaki , Tsunoda Tetsuto , Kaku Hiroto
Published: December 2021

A strong acid-promoted single-step transformation of red uroleuconaphin A1 to green viridaphins A1 and A2 is described here.
3D structured TiO2-based aerogel photocatalyst for the high-efficiency degradation of toluene gas
Authors: Zhang Li , Dai Li , Li Xueying , Yu Wei , Li Shijie , Guan Jie
Published: December 2021

A 3D TiO2-based aerogel is prepared that improves the mass-transfer efficiency of the gas–solid reaction for the high-efficiency degradation of toluene gas.
Dynamic electric-field-induced magnetic effects in cobalt oxide thin films: towards magneto-ionic synapses
Authors: Martins Sofia , de Rojas Julius , Tan Zhengwei , Cialone Matteo , Lopeandia Aitor , Herrero-Martín Javier , Costa-Krämer José L. , Menéndez Enric , Sort Jordi
Published: December 2021

ON–OFF ferromagnetism by magneto-ionics in cobalt oxide films is achieved in seconds by reducing the film thickness down to 5 nm. Cumulative effects are generated by voltage pulses at frequencies up to 100 Hz, being able to mimic synapse functions.
Arene–perfluoroarene interaction induced chiroptical inversion and precise ee% detection of chiral acids in a benzimidazole-involved ternary coassembly
Authors: Zhao Jianjian , Wang Bo , Hao Aiyou , Xing Pengyao
Published: December 2021

A simple method was developed for regulating the handedness of chiroptical active materials and quantitative sensing of chiral acids through orthogonal multiple component coassemblies.
Profiling of co-metabolic degradation of tetracycline by the bio-cathode in microbial fuel cells
Authors: Wang Luxiang , Liang Dongmin , Shi Yunqi
Published: December 2021

In this paper, a system of tetracycline (TEC) degradation by the bio-cathode in a microbial fuel cell (MFC) was constructed.
Photoinduced successive oxidative ring-opening and borylation of indolizines with NHC–boranes
Authors: Zheng Huitao , Xiong Honggang , Su Chaobo , Cao Hua , Yao Huagang , Liu Xiang
Published: December 2021

A facile photoinduced successive oxidative ring-opening and borylation of indolizines with NHC–boranes via a one-pot method has been unveiled. This photo-promoted strategy enables the formation of unsaturated NHC–boryl carboxylates under transition metal-free conditions.
Evaluation of all-atom force fields in viral capsid simulations and properties
Authors: Teo Ruijie D. , Tieleman D. Peter
Published: December 2021

We investigate six AMBER and CHARMM force fields for molecular dynamics simulations of viral capsids. Out of the force fields studied, we recommend CHARMM36m and CHARMM36 for future use.
Mechanistic investigations on a homogeneous ruthenium Guerbet catalyst in a flow reactor
Authors: Wang Nicholas M. , Dillon Sam , Guironnet Damien
Published: December 2021

A mechanistic investigation on the ethanol self-condensation reaction (Guerbet reaction) catalyzed by a bis(pyridylimino)isoindolate Ru(ii) catalyst was performed using a specifically designed continuously-stirred tank reactor (CSTR).
Probing protein aggregation at buried interfaces: distinguishing between adsorbed protein monomers, dimers, and a monomer–dimer mixture in situ
Authors: Lu Tieyi , Guo Wen , Datar Prathamesh M. , Xin Yue , Marsh E. Neil G. , Chen Zhan
Published: December 2021

SFG spectra analyzed by the developed Hamiltonian method show that adsorbed BSA molecules on silicone oil are dimers. On treatment with dithiothreitol, some BSA dimers dissociate, resulting in 60% dimer and 40% monomer on the silicone oil surface.
wSDTNBI: a novel network-based inference method for virtual screening
Authors: Wu Zengrui , Ma Hui , Liu Zehui , Zheng Lulu , Yu Zhuohang , Cao Shuying , Fang Wenqing , Wu Lili , Li Weihua , Liu Guixia , Huang Jin , Tang Yun
Published: December 2021

We developed a novel network-based method named wSDTNBI for the prediction of drug–target interactions, and applied it in the discovery of inverse agonists for retinoid-related orphan receptor γt.
Photochemical C–H arylation of heteroarenes for DNA-encoded library synthesis
Authors: Krumb Matthias , Kammer Lisa Marie , Badir Shorouk O. , Cabrera-Afonso María Jesús , Wu Victoria E. , Huang Minxue , Csakai Adam , Marcaurelle Lisa A. , Molander Gary A.
Published: December 2021

DNA-encoded library technology has emerged as an efficient interrogation platform for the identification of therapeutic candidates in pharmaceutical settings. Herein, a direct photochemical C–H arylation of functionalized heteroarenes is reported.
Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage
Authors: Quant Maria , Hillers-Bendtsen Andreas Erbs , Ghasemi Shima , Erdelyi Mate , Wang Zhihang , Muhammad Lidiya M. , Kann Nina , Mikkelsen Kurt V. , Moth-Poulsen Kasper
Published: December 2021

Molecular solar-thermal energy storage (MOST) systems are based on photoswitches that reversibly convert solar energy into chemical energy.
Visible-light-induced transition metal and photosensitizer free decarbonylative addition of amino-arylaldehydes to ketones
Authors: Wang Yi , Lang Yatao , Li Chao-Jun , Zeng Huiying
Published: December 2021

A visible-light-induced, transition-metal and external photosensitizer free decarbonylative addition of benzaldehydes to ketones/aldehydesviaanion intermediates at room temperature is developed.
Characterization of electrocatalytic proton reduction and surface adsorption of platinum nanoparticles supported by a polymeric stabilizer on an ITO electrode
Authors: Tsubonouchi Yuta , Kajita Masashi , Hayasaka Taichi , Mandour Hamada S. , Berber Mohamed R. , Zahran Zaki N. , Yagi Masayuki
Published: December 2021

Pt nanoparticles stabilized by a polymeric stabilizer of polyacrylic acid were stably adsorbed on an ITO electrode to work effectively and stably for electrocatalytic proton reduction.
Tailoring capping-layer composition for improved stability of mixed-halide perovskites
Authors: Hartono Noor Titan Putri , Tremblay Marie-Hélène , Wieghold Sarah , Dou Benjia , Thapa Janak , Tiihonen Armi , Bulovic Vladimir , Nienhaus Lea , Marder Seth R. , Buonassisi Tonio , Sun Shijing
Published: December 2021

Incorporating a one-dimensional (1D) perovskite capping layer on top of a perovskite absorber, improves the stability of perovskite solar cells (PSCs). Dissimilarity matrices gives an stability comparison overview across capping-absorber pairs.
Harnessing versatile dynamic carbon precursors for multi-color emissive carbon dots
Authors: Wei Zitong , Lu Wenyi , Wang Ximin , Ni Jiping , Prova Umme Hani , Wang Chunxia , Huang Guoyong
Published: December 2021

We report on recent advancement of CDs derived from various carbon precursors including aromatic small molecules, citric acid, biomass, polymers, petroleum products, and carbon allotropes as well as their optical based applications.
Analysis of Discourse Production to Assess Cognitive Communication Deficits Following Mild Traumatic Brain Injury With and Without Posttraumatic Stress
Authors: Myers Jennifer Rae , Solomon Nancy Pearl , Lange Rael T. , French Louis M. , Lippa Sara M. , Brickell Tracey A. , Staines Shelby , Nelson Jenna , Brungart Doug S. , Coelho Carl A.
Published: December 2021

Purpose:

Cognitive communication deficits can be difficult to assess in individuals with mild traumatic brain injury (mTBI). However, the use of discourse analysis as a direct and sensitive metric of cognitive communication skills has shown promising clinical utility for other TBI severity levels. This exploratory study investigated discourse production in service members and veterans (SMVs) with uncomplicated mTBI with and without posttraumatic stress disorder (PTSD) and SMVs with neither mTBI or PTSD.

Method:

Fifteen SMVs with mTBI and PTSD, 26 with mTBI, and 25 controls with no brain injury (NBI) and without PTSD were given a wordless picture story to elicit spontaneous discourse. Discourse samples were analyzed for global coherence, word count, the use of negative emotion words, cognitive process words, nonfluencies, and story completeness.

Results:

Results revealed a significant difference between the mTBI (
Mdn
= 3.33) and NBI (
Mdn
= 3.50) groups, χ
2
(3) = 6.044,
p
= .017, ε
2
= .03, for global coherence. Word count differed significantly between the mTBI + PTSD (
Mdn
= 135) and NBI (
Mdn
= 195) groups, χ
2
(3) = 7.968,
p
= .006, ε
2
= .06. No other group differences were observed.

Discussion:

Structural features of discourse production may serve as potential markers of cognitive communication deficits in mTBI. Furthermore, PTSD may contribute to verbal fluency deficits in individuals with mTBI. Additional research is needed to develop discourse-related measures that are more sensitive to the effects of mTBI and PTSD.