bluuebunny/crossref_metadata_2025 huggingface dataset:
The immune synapses reveal aberrant functions of CD8 T cells during chronic HIV infection
Authors: Anikeeva Nadia , Steblyanko Maria , Kuri-Cervantes Leticia , Buggert Marcus , Betts Michael R. , Sykulev Yuri
Published: October 2022

Chronic HIV infection causes persistent low-grade inflammation that induces premature aging of the immune system including senescence of memory and effector CD8 T cells. To uncover the reasons of gradually diminished potency of CD8 T cells from people living with HIV, here we expose the T cells to planar lipid bilayers containing ligands for T-cell receptor and a T-cell integrins and analyze the cellular morphology, dynamics of synaptic interface formation and patterns of the cellular degranulation. We find a large fraction of phenotypically naive T cells from chronically infected people are capable to form mature synapse with focused degranulation, a signature of a differentiated T cells. Further, differentiation of aberrant naive T cells may lead to the development of anomalous effector T cells undermining their capacity to control HIV and other pathogens that could be contained otherwise.
Harvesting metadata in clinical care: a crosswalk between FHIR, OMOP, CDISC and openEHR metadata
Authors: Bönisch Caroline , Kesztyüs Dorothea , Kesztyüs Tibor
Published: October 2022

Metadata describe information about data source, type of creation, structure, status and semantics and are prerequisite for preservation and reuse of medical data. To overcome the hurdle of disparate data sources and repositories with heterogeneous data formats a metadata crosswalk was initiated, based on existing standards. FAIR Principles were included, as well as data format specifications. The metadata crosswalk is the foundation of data provision between a Medical Data Integration Center (MeDIC) and researchers, providing a selection of metadata information for research design and requests. Based on the crosswalk, metadata items were prioritized and categorized to demonstrate that not one single predefined standard meets all requirements of a MeDIC and only a maximum data set of metadata is suitable for use. The development of a convergence format including the maximum data set is the anticipated solution for an automated transformation of metadata in a MeDIC.
Effect of oral magnesium supplement on cardiometabolic markers in people with prediabetes: a double blind randomized controlled clinical trial
Authors: Salehidoost Rezvan , Taghipour Boroujeni Golshan , Feizi Awat , Aminorroaya Ashraf , Amini Masoud
Published: October 2022

To evaluate the effect of magnesium supplementation on insulin resistance and cardiovascular markers in people with prediabetes. A 12 week double-blind placebo-controlled randomized clinical trial was conducted at Isfahan Endocrine and Metabolism Research Center, Iran, on people with prediabetes (n = 86) to compare the effects of magnesium oxide 250 mg/day versus a placebo on anthropometric indices, blood pressure, fasting glucose, insulin, HOMA-IR index, C-reactive protein, uric acid and lipid profile. Both groups had similar distributions of anthropometric and biochemical variables at baseline. Those who received magnesium supplementation had significantly higher levels of HDL-cholesterol compared to the placebo group at the end of the study (49.7 ± 10.9 vs 43.6 ± 7.2 mg/dL, P = 0.003). The mean changes of HOMA-IR index, total cholesterol, LDL-cholesterol, triglyceride, uric acid and C-reactive protein levels as well as anthropometric indices and blood pressure in supplemented and placebo groups did not differ significantly. Magnesium supplementation increased HDL-cholesterol levels in people with prediabetes. However, other cardiometabolic markers were not improved by magnesium supplementation at the above dosage and duration.
Proximal discrepancy in intrinsic atomic interaction arrests G2/M phase by inhibiting Cyclin B1/CDK1 to infer molecular and cellular biocompatibility of d-limonene
Authors: Mandal Deepa , Patel Paritosh , Verma Suresh K. , Sahu Bikash Ranjan , Parija Tithi
Published: October 2022

The quest for different natural compounds for different biomedical applications especially in the treatment of cancer is at a high pace with increasing incidence of severity.d-limonene has been portrayed as one of the effective potential candidate centered to the context of breast cancer. The anticipation of its count as an effective biomedical agent required a detailed understanding of their molecular mechanism of biocompatibility. This study elucidates the mechanistic action ofd-limonene channelized by the induction of apoptosis for controlling proliferation in breast cancer cells. The possible mechanism was explored through an experimental and computational approach to estimate cell proliferation inhibition, cell cycle phase distribution, apoptosis analysis using a flow cytometry, western blotting and molecular docking. The results showed reduced dose and time-dependent viability of MCF7 cells. The study suggested the arrest of the cell cycle at G2/M phase leading to apoptosis and other discrepancies of molecular activity mediated via significant alteration in protein expression pattern of anti-apoptotic proteins like Cyclin B1 and CDK1. Computational analysis showed firm interaction ofd-limonene with Cyclin B1 and CDK1 proteins influencing their structural and functional integrity indicating the mediation of mechanism. This study concluded thatd-limonene suppresses the proliferation of breast cancer cells by inducing G2/M phase arrest via deregulation of Cyclin B1/CDK1.
Differential analysis of microbiomes in mucus and tissues obtained from colorectal cancer patients
Authors: Tajima Yosuke , Okuda Shujiro , Hanai Tsunekazu , Hiro Junichiro , Masumori Koji , Koide Yoshikazu , Kamiya Tadahiro , Cheong Yeongcheol , Inaguma Gaku , Shimada Yoshifumi , Wakai Toshifumi , Takihara Hayato , Akimoto Shingo , Matsuoka Hiroshi , Uyama Ichiro , Suda Koichi
Published: October 2022

The outer mucus layer of the colorectal epithelium is easily removable and colonized by commensal microbiota, while the inner mucus layer is firmly attached to the epithelium and devoid of bacteria. Although the specific bacteria penetrating the inner mucus layer can contact epithelial cells and trigger cancer development, most studies ignore the degree of mucus adhesion at sampling. Therefore, we evaluated whether bacteria adhering to tissues could be identified by removing the outer mucus layer. Our 16S rRNA gene sequencing analysis of 18 surgical specimens of human colorectal cancer revealed that Sutterella (P = 0.045) and Enterobacteriaceae (P = 0.045) were significantly enriched in the mucus covering the mucosa relative to the mucosa. Rikenellaceae (P = 0.026) was significantly enriched in the mucus covering cancer tissues compared with those same cancer tissues. Ruminococcaceae (P = 0.015), Enterobacteriaceae (P = 0.030), and Erysipelotrichaceae (P = 0.028) were significantly enriched in the mucus covering the mucosa compared with the mucus covering cancers. Fusobacterium (P = 0.038) was significantly enriched in the mucus covering cancers compared with the mucus covering the mucosa. Comparing the microbiomes of mucus and tissues with mucus removed may facilitate identifying bacteria that genuinely invade tissues and affect tumorigenesis.
Efficacy of laryngeal mask airway against postoperative pharyngolaryngeal complications following thyroid surgery: a systematic review and meta-analysis of randomized controlled studies
Authors: Hung Kuo-Chuan , Wu Shao-Chun , Hsu Chih-Wei , Ko Ching-Chung , Chen Jui-Yi , Huang Ping-Wen , Chen I.-Wen , Sun Cheuk-Kwan
Published: October 2022

This meta-analysis aimed at investigating the effectiveness of laryngeal mask airway (LMA) against postoperative pharyngolaryngeal complications after thyroidectomy. MEDLINE, Cochrane Library, google scholar, and EMBASE databases were searched from inception through February, 2021, for randomized controlled trials (RCTs) comparing the incidence of pharyngolaryngeal complications following the use of LMA or endotracheal tube (ETT). Pooled results from seven RCTs involving 600 patients showed an association of LMA with a reduced risk of postoperative sore throat (POST) at 24 h [risk ratio (RR) 0.75,p = 0.006, four trials], but not at 1 h and 48 h after thyroidectomy. POST severity and hoarseness risk were lower in the LMA group than the ETT group at 1 h, 24 h, and 48 h (allp < 0.05). Nevertheless, hoarseness severity was lower in the LMA group only at postsurgical 48 h [standardized mean difference = − 0.35,p = 0.008, three trials]. Moreover, the risk of emergence cough was lower in patients using LMA than those receiving ETT (RR = 0.14,p = 0.002, two trials). The two groups did not differ in the severity of dysphagia at postoperative 1 h, 24 h, and 48 h. This meta-analysis showed that LMA may be associated with fewer pharyngolaryngeal complications compared to ETT without airway impacts. The limited number of included studies warrants further research to support our findings.
Systematic review and meta-analysis on physical barriers to prevent root dentin demineralization
Authors: Wierichs R. J. , Müller T. , Campus G. , Carvalho T. S. , Niemeyer S. H.
Published: October 2022

The present review systematically analyzed in vitro and in situ studies investigating physical diffusion barriers (sealants, desensitizer or adhesives) to prevent the development or the progression of root (dentin) demineralization. Three electronic databases (PubMed-Medline, CENTRAL, Ovid-EMBASE) were screened for studies from 1946 to 2022. Cross-referencing was used to identify further articles. Article selection and data abstraction were done in duplicate. Languages were not restricted. The type of outcome was not restricted, and their mean differences (MD) were calculated using fixed- or random-effects models. Risk of Bias was graded using Risk of Bias 2.0 tool. From 171 eligible studies, 34 were selected for full-text analysis evaluating 69 different materials, and 17 studies—still evaluating 36 different materials—were included (3 in situ and 14 in vitro). Ten studies evaluated desensitizers; 8 adhesives; and 1 infiltration. Meta-analyses were possible for all 17 studies. Meta-analyses revealed that lesion depth after no treatment was significantly higher than after the application of single-step adhesives (MD[95%CI] = − 49.82[− 69.34; − 30.30]) and multi-step adhesives (MD[95%CI]=–60.09 [–92.65, –27.54]). No significant differences in the lesion depth increase between single- and multi-step adhesives could be observed (MD[95%CI]=30.13 [–21.14, 81.39]). Furthermore, compared to no treatment the increase of the lesion depth was significantly hampered using desensitizers (MD[95%CI] = − 38.02[− 51.74; − 24.31]). Furthermore, the included studies presented unclear or high risk. A physical diffusion barrier can significantly hamper the increase of lesion depth under cariogenic conditions. Furthermore, multi-step adhesives seem not to be more effective than single-step adhesives. However, this conclusion is based on only few in vitro and in situ studies.
Bulked segregant transcriptome analysis in pea identifies key expression markers for resistance to Peyronellaea pinodes
Authors: Fondevilla Sara , Krezdorn Nicolas , Rubiales Diego , Rotter Björn , Winter Peter
Published: October 2022

Peyronellaea pinodes is a devastating pathogen of pea crop. Quantitative trait loci (QTL) associated with resistance have been identified, as well as genes differentially expressed between resistant and susceptible pea lines. The key question is which of these many genes located into these QTLs, or differentially expressed, are the key genes that distinguish resistant from susceptible plants and could be used as markers. To identify these key genes, in the present study we applied MACE (Massive Analysis of cDNA Ends) -Seq to a whole Recombinant Inbred Line population segregating for resistance to this disease and their parental lines and identified those genes which expression was more correlated with the level of resistance. We also compared gene expression profiles between the most resistant and the most susceptible families of the RIL population. A total of 6780 transcripts were differentially expressed between the parental lines after inoculation. Of them, 803 showed the same expression pattern in the bulks formed by the most resistant and most susceptible RIL families. These genes, showing a consistent expression pattern, could be used as expression markers to distinguish resistant from susceptible plants. The analysis of these genes also discovered the crucial mechanisms acting against P. pinodes.
A 3-step approach to predict advanced fibrosis in nonalcoholic fatty liver disease: impact on diagnosis, patient burden, and medical costs
Authors: Kobayashi Takashi , Ogawa Yuji , Shinoda Satoru , Iwaki Michihiro , Nogami Asako , Honda Yasushi , Kessoku Takaomi , Imajo Kento , Yoneda Masato , Saito Satoru , Yamamoto Kouji , Oeda Satoshi , Takahashi Hirokazu , Sumida Yoshio , Nakajima Atsushi
Published: October 2022

A 2-step approach, Fibrosis-4 index (FIB-4) followed by vibration-controlled transient elastography (VCTE), has been proposed to predict advanced fibrosis in patients with nonalcoholic fatty liver disease (NAFLD). We aimed to develop a novel 3-step approach for predicting advanced fibrosis. We enrolled 284 biopsy-confirmed NAFLD patients from two tertiary care centers and developed subgroups (n = 190), including 3.7% of patients with advanced fibrosis, assuming a primary care setting. In the 3-step approach, patients with intermediate-to-high FIB-4 in the first step underwent an enhanced liver fibrosis test or measurement of type IV collagen 7S domain as the second step, and VCTE was performed if the second step value was higher than the cutoff. In 284 cases, a tertiary care cohort with 36.3% advanced fibrosis, the 3-step approach showed significantly higher specificity and positive predictive value than the 2-step approach. In the subgroup with 3.7% advanced fibrosis, the 3-step approach significantly reduced the referral rate to specialists, the number of high-risk patients (i.e., liver biopsy candidates), and healthcare costs by 12.5% to 15.8%. The 3-step approach may improve the diagnostic performance to predict advanced fibrosis in NAFLD, which could lower rates of referrals to specialists, liver biopsies, and medical costs.
Opinion amplification causes extreme polarization in social networks
Authors: Lim Soo Ling , Bentley Peter J.
Published: October 2022

Extreme polarization of opinions fuels many of the problems facing our societies today, from issues on human rights to the environment. Social media provides the vehicle for these opinions and enables the spread of ideas faster than ever before. Previous computational models have suggested that significant external events can induce extreme polarization. We introduce the Social Opinion Amplification Model (SOAM) to investigate an alternative hypothesis: thatopinion amplificationcan result in extreme polarization. SOAM models effects such as sensationalism, hype, or “fake news” as people express amplified versions of their actual opinions, motivated by the desire to gain a greater following. We show for the first time that this simple idea results in extreme polarization, especially when the degree of amplification is small. We further show that such extreme polarization can be prevented by two methods: preventing individuals from amplifying more than five times, or through consistent dissemination of balanced opinions to the population. It is natural to try and have the loudest voice in a crowd when we seek attention; this work suggests that instead of shouting to be heard and generating an uproar, it is better for all if we speak with moderation.
Alleviating the adverse effects of salinity on Roselle plants by green synthesized nanoparticles
Authors: Sadat-Hosseini Mohammad , Naeimi Atena , Boroomand Naser , Aalifar Mostafa , Farajpour Mostafa
Published: October 2022

In the present study, an eco-friendly process was made for the rapid synthesis of silver nanoparticles using aqueous leaf extract of Hibiscus sabdariffa. The process was characterized by Fourier Transform Infrared (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV–visible and X-ray diffraction (XRD). These green silver nanoparticles (NPs) were used for mitigating the adverse effects of salinity on seed germination and growth parameters in plants. Accordingly, two experiments were conducted. In the first experiment, seven concentrations of green silver NPs and nine levels of NaCl:CaCl were apptoed on seeds for germination, and their effects were evaluated. In the second experiment, three concentrations of green silver NPs and NaCl were hypothesized to affect plant growth parameters. Seed germination, plant height, leaf, and root fresh and dry weights, as well as relative water content (RWC), decreased significantly under salt stress. However, green silver NPs intervened by alleviating the adverse effects of stress. Accordingly, green silver NPs were beneficial due to (1) activation of the antioxidant system by enhancing antioxidant enzymes such as catalase (CAT), ascorbate peroxidase (APX), peroxidase (POD), and superoxide dismutase (SOD); (2) increase in the amounts of proline, soluble sugars and carbohydrates for osmoprotection; (3) improvements in flavonoid and anthocyanin contents. Real-time PCR showed that flavonoid and anthocyanin contents increased because of higher expressions in chalcone synthase (CHS), flavanone 3‐hydroxylase (F3H), and anthocyanidin synthase (ANS) genes. In conclusion, green silver NPs offered an eco-friendly application for further research on agricultural development.
Lambda-vector modeling temporal and channel interactions for text-independent speaker verification
Authors: Wei Guangcun , Min Hang , Xu Yunfei , Zhang Yanna
Published: October 2022

Most of the current excellent models in speaker verification are ResNet-based deep models and attention-based models. These models have a general weakness, which is the large number of parameters and high hardware requirements. On the other hand, many deep structures only generate embedding features from the features extracted by the last frame-level layer, which causes shallow features and channel-related features to be ignored. To solve these problems, this paper proposed a shallow speaker verification model based on Lambda-vector, its main structure is composed of three Lambda-SE modules. The module extracts long-distance dependencies between frame-level features and channel-related interaction information to enhance representation of features. Meanwhile, so that adequately mine the information in deep and shallow features, the model introduces multi-layer feature aggregation to fuse the features of different frame-level layers together. It can increase the detailed information in the deep features and improve the model's ability to represent complex information. The experimental results on the public datasets Voxceleb1 and Voxceleb2 show that the model has more stable training speed, fewer model parameters, and better identification performances than baseline models.
Evaluation of provincial carbon-neutral capacities in the Yellow River basin using DPSIR
Authors: Xu Jian , Wang Haiying , Zhao Keyu , Li Zhi
Published: October 2022

The Yellow River basin spans nine provinces and autonomous regions and plays an important role in China's economic and social development and ecological security. However few studies have integrated the concept of carbon neutrality into research to evaluate the carbon-neutral development level. This paper calculates the comprehensive evaluation value of the provincial carbon-neutral capacities comprehensive evaluation index in the Yellow River basin through the driving-force-pressure-state-impact-response (DFPSIR) index system and the global entropy method based on provinces data between 2008 to 2019. The final results indicated that from 2008 to 2019, the carbon-neutral capacities of the provinces in the Yellow River basin were in a state of rapid development and had achieved a grade leap. However, seven provinces had carbon-neutral capacity levels at the Grade III standard in 2019, thereby leaving scope for substantial improvement. Through the above research, we identified the changes in the trend and driving mechanisms of the carbon-neutral capacity of the Yellow River basin and provide a theoretical reference value for a comprehensive realization of carbon neutrality in China in 2060.
The concept of a new two-stage fuse for high power pulse forming
Authors: Nowak Mikołaj
Published: October 2022

This manuscript introduces the concept, physical operating principle and studies on a new and unique two stage forming fuse (TSFF) with interstage spark gap commutation and presents its application for forming high power pulses of extreme parameters. The paper classifies TSFF performance and compares it with conventional single-stage forming fuses. The conclusions are supported by analytical and experimental studies in laboratory conditions. The design of the TSFF prototype as well as the applied measurement methods and test stands are also presented. The developed technology of the TSFF enables the achievement of unprecedented parameters of high-power pulses with overvoltages reaching 800 kV and pulse power of tens of GW in a very compact design. The unique properties of the TSFF enable its efficient integration with a wide range of energy sources, even with very limited current rising steepness or limited output voltage, which has not been possible so far with conventional single-stage forming fuses. The proposed system can be easily scaled, while ensuring much greater flexibility of applications.
Analysis of non-small cell lung cancer with miliary lung metastasis in patients harboring epidermal growth factor receptor mutations
Authors: Chang Ming-Hung , Chiang Kuo-Hwa , Shieh Jiunn-Min , Cheng Kuo-Chen , Ho Chung-Han
Published: October 2022

Miliary lung metastasis is a unique feature of lung metastasis in non-small cell lung cancer (NSCLC), indicating hematogenous dissemination. Some studies reported more frequency of epidermal growth factor receptor (EGFR) mutation and worse prognosis in these patients. Cases were identified from Chi-Mei medical center cancer registry for the period 2015–2019. Inclusion criteria were NSCLC with contra-lateral lung metastasis harboring EGFR mutation, under tyrosine kinase inhibitor (TKI) prescription. Patients with miliary or non-miliary lung metastasis were enrolled for survival analysis. 182 NSCLC patients were enrolled for assessing time to discontinuation of TKI (TD-TKI), progression-free survival (PFS) and overall survival (OS). 54 patients with miliary lung metastasis had average 13.2 months [95% confidence interval (CI) 10.7–15.6] of TD-TKI, 11.4 months (95% CI 9.3–13.6) of PFS, and 21.3 months (95% CI 16.8–25.8) of OS, which were shorter than non-miliary group with marginally statistical significance. In multivariate analysis, miliary lung metastasis had no statistical significance, and other strong prognostic indicators were found including performance status, liver metastasis, EGFR type, and generation of TKI. In NSCLC patients harboring EGRF mutation under TKI prescription, miliary lung metastasis was not a dominant indicator for outcomes evaluation.
Effect of using spirulina algae methyl ester on the performance of a diesel engine with changing compression ratio: an experimental investigation
Authors: Al-Dawody Mohamed F. , Maki Duraid F. , Al-Farhany Khaled , Flayyih Mujtaba A. , Jamshed Wasim , Tag El Din El Sayed M. , Raizah Zehba
Published: October 2022

Diesel engine characteristics were investigated experimentally while adding different concentrations of third generation biodiesel spirulina algae methyl ester (SAME). Three volumetric blends of SAME are added to standard Iraqi diesel, namely 10% SAME, 20% SAME, and 30% SAME. The properties of the fuels were found according to the American Society for Testing and Materials standards (ASTM). Experimental work was conducted on a single-cylinder diesel engine under variable load and compression ratio. Three compression ratios are used, starting from 14.5, 15.5, and 16.5. Based on the results obtained, the presence of SAME along with diesel caused an increase in Brake specific fuel consumption (BSFC), carbon dioxide (CO2), and nitrogen oxides (NOx) while decreasing both brake thermal efficiency (BTE) and exhaust gas temperature (EGT). Hydrocarbon (HC) emissions decreased by 7.14%, 8.57%, and 10.71%, for 10% SAME, 20% SAME, and 30% SAME, respectively, compared to the original neat diesel fuel. The dramatic carbon monoxide (CO) emission reduction was at full load point. The addition of SAME from (10 to 30)% reported a decrease in CO by (6.67–20)%. NOx, as well as CO2 emission, are increased as a result of SAME addition. The compression ratio change from (14.5/1 to 16.5/1) led to increased BTE, NOx, and decreased BSFC and all carbon emissions. The experimental results are validated with other studies' findings, and minor divergence is reported.
Absolute Asymmetric Synthesis in the Soai Reaction
Authors: Soai Kenso , Kawasaki Tsuneomi , Matsumoto Arimasa
Published: October 2022

Absolute asymmetric synthesis in the Soai reaction is described for the reaction between pyrimidine-5-carbaldehyde and diisopropylzinc without the involvement of any chiral factor. The absolute configurations of the chiral product, i.e., pyrimidyl alkanol, exhibit stochastic distribution of (R)- or (S)-pyrimidyl alkanol with detectable enantiomeric excess (ee). The initially formed statistically enantiomerically imbalanced product, i.e., the isopropylzinc alkoxide of 5-pyrimidyl alkanol, acts as an asymmetric autocatalyst to produce more of itself with the amplification of ee. The result stands as the first clear example of absolute asymmetric synthesis with pyrimidyl alkanol that gives significant, i.e., detectable, ee values in an organic reaction. These ee values of pyrimidyl alkanol can be amplified to near enantiopurity (> 99.5% ee)by subsequent asymmetric autocatalysis. The result is counterintuitive when considering conventional views of organic reactions;that is, a chiral product is generated as a racemate when achiral reagents are reacted without the intervention of a chiral factor. The present results shed light on the origin of homochirality of biomolecules.
Isotope Chirality and Cosmochemistry
Authors: Barabás Béla , Kurdi Robert , Maioli Marco , Pályi Gyula
Published: October 2022

Isotope substitution can generate centers of asymmetry in molecules or molecule fragments which are usually regarded as achiral. Thus simple achiral molecules, such as e.g. glycine, become chiral by 1H ⇒ 2D monosubstitution in the methylene group. Such chiral molecules, enantioisotopomers, can provide more–less enantiomeric excess (ee) according to laws of probability theory. It has been experimentally demonstrated by variants of the Soai autocatalysis that enantiomeric excesses of chiral isotopomers can induce huge amounts of excess chirality in achiral-to-chiral reactions. In the present study calculations are described, which started from terrestrial stable isotope abundances of H, C, N, and O, and quantify the possible effects in inducing chirality by the unusually high concentrations of heavy isotopes of these elements in interplanetary and interstellar space objects. Simple organic molecules considered as ‘prebiotic’ precursors of living organisms have been chosen as model systems. The results show that statistical enantiomeric excesses in chiral isotopomers are substantially increasing, as a consequence of higher abundances of the heavy isotopes, detected recently by cosmochemical/astrophysical methods. This effect might have had an important role in the evolution of the prebiotic phase of biological chirality.
Structure Analysis of Asymmetric Autocatalysis by X-ray Crystallography and Circular Dichroism Spectroscopy
Authors: Matsumoto Arimasa , Kawasaki Tsuneomi , Soai Kenso
Published: October 2022

The asymmetric autocatalysis of pyrimidylalkanols is an extremely distinctive reaction that can induce significant asymmetric amplification in a simple self-replication reaction. As asymmetric amplification is the key to unraveling the mystery of homochirality, the mechanism of this reaction has attracted considerable attention over a long time. Numerous studies aimed at elucidating the mechanism of this reaction have revealed that the aggregation of zinc alkoxides plays an important role in asymmetric amplification. In this chapter, we introduce the various aggregation forms of pyrimidylalkanol zinc alkoxides, as revealed by single-crystal X-ray diffraction analysis, and discuss their relationship to other mechanistic studies, as well as the study of the equilibrium of aggregation states in solution by circular dichroism spectroscopy.
Symmetry Breaking in a Heterogenous Phase: Intriguing Intermediates and Side-products During Asymmetric Amplification
Authors: Amedjkouh Mohamed , Rotunno Giuseppe
Published: October 2022

In this chapter we describe the results and the understanding provided by the use of heterogenous conditions for symmetry breaking and autocatalytic amplification in the Soai reaction. We mainly discuss the application of MOFs as nanoreactors to probe confinement effects on the catalytically active species. Encapsulated Soai aldehyde and residence of ensuing alkanol inside the crystalline host was documented with the help of ATR-IR and NMR. Kinetics show that boundary conditions in supply of reactants causes varying autocatalytic performances by formation of different aggregates with changing reaction rates and ee. In contrast, with pristine aldehyde in the pyrimidine and pyridine series analyses of crudes from the solid mixtures reveal the presence of additional compounds beside the main alkanol product, namely a chiral ester built from the original Soai alkanol. Their rise is intimately related to the alkylation reaction as absolute asymmetric amplification of alkanol product is observed with a striking intensification of handedness, and in a parallel amplification process, the chiral ester is produced with 98% ee, which suggests is potential implications in the mechanism of amplification reactions.
Violet phosphorus: an effective metal-free elemental photocatalyst for hydrogen evolution
Authors: Gu Mengyue , Zhang Lihui , Mao Siman , Zou Yajun , Ma Dandan , Shi Jianwen , Yang Na , Fu Chengcheng , Zhao Xuewen , Xu Xuequan , Cheng Yonghong , Zhang Jinying
Published: October 2022

Layered violet phosphorus, the most stable phosphorus allotrope, has been demonstrated to have excellent photocatalytic activity for hydrogen evolution reactions.
DeepAC – conditional transformer-based chemical language model for the prediction of activity cliffs formed by bioactive compounds
Authors: Chen Hengwei , Vogt Martin , Bajorath Jürgen
Published: October 2022

Activity cliffs (ACs) are formed by pairs of structurally similar or analogous active small molecules with large differences in potency.
A tandem process for in situ H2O2 formation coupled with benzyl alcohol oxidation using Pd–Au bimetallic catalysts
Authors: Martinez Jordan Santiago , Mazarío Jaime , Gutiérrez-Tarriño Silvia , Galdeano-Ruano Carmen , Gaona-Miguélez José , Domine Marcelo E. , Oña-Burgos Pascual
Published: October 2022

H2O2 synthesis and benzyl alcohol oxidation were successfully accomplished with C-supported PdAu nanoparticles. Remarkably, the two processes could be coupled, establishing a one-pot process for benzyl alcohol oxidation with in situ generated H2O2.
The energy gap law for NIR-phosphorescent Cr(iii) complexes
Authors: Cheng Yang , Yang Qingqing , He Jiang , Zou Wenjie , Liao Keyu , Chang Xiaoyong , Zou Chao , Lu Wei
Published: October 2022

The phosphorescence of bpi-Cr(iii) complexes in degassed fluid solutions is tunable in the near-infrared region and the tunability is governed by the energy gap law.
Ferryl for real. The Fenton reaction near neutral pH
Authors: Koppenol Willem H.
Published: October 2022

Above pH 5, the reaction of H2O2 with Fe2+ does not yield HO˙, but FeO2+. When HCO3− is present, the product is CO3˙−.
Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers
Authors: Yoshigoe Yusuke , Hashizume Keiichiro , Saito Shinichi
Published: October 2022

We have synthesized chiral aza-boraspirobifluorenes and evaluated their structural and photophysical properties.
Performance limitations imposed by the TCO heterojunction in high efficiency perovskite solar cells
Authors: Walter Daniel , Peng Jun , Weber Klaus , Catchpole Kylie R. , White Thomas P.
Published: October 2022

The efficiency of perovskite solar cells has risen rapidly, but continuing this trend requires addressing all forms of power loss. Here, we show how the TCO heterojunction can cap efficiency and how transport layers should be selected in response.
Curcumin alleviates LPS-induced intestinal homeostatic imbalance through reshaping gut microbiota structure and regulating group 3 innate lymphoid cells in chickens
Authors: Ruan Dong , Wu Shaowen , Fouad Ahmed Mohamed , Zhu Yongwen , Huang Wenjie , Chen Zhilong , Gou Zhongyong , Wang Yibing , Han Yongquan , Yan Shijuan , Zheng Chuntian , Jiang Shouqun
Published: October 2022

Curcumin could be used as a modulator of gut microbiota for intestinal health improvement and immunity homeostasisviamodulation of the BA-FXR pathway and ILC3s function.
High-strength, low infrared-emission nonmetallic films for highly efficient Joule/solar heating, electromagnetic interference shielding and thermal camouflage
Authors: Zhang Yuxuan , Li Lei , Cao Yanxia , Yang Yanyu , Wang Wanjie , Wang Jianfeng
Published: October 2022

Low-density, high-strength, low IR-emission nonmetallic films superior to the rival typical stainless steel are reported by constructing unique alternating multilayered structures based on two-dimensional MXene and GO.
Insertion of a methylene group into the backbone of an antisense oligonucleotide reveals the importance of deoxyribose recognition by RNase H
Authors: Masaki Yoshiaki , Tabira Ayano , Hattori Shihori , Wakatsuki Shunsuke , Seio Kohji
Published: October 2022

Methylene-inserted oligonucleotides showed an inserted-position-dependent inhibitory effect on cleavage reaction which suggested the importance of deoxyribose recognition.
Preparation of new bicyclo[2.1.1]hexane compact modules: an opening towards novel sp3-rich chemical space
Authors: Herter Loïc , Koutsopetras Ilias , Turelli Lorenzo , Fessard Thomas , Salomé Christophe
Published: October 2022

Here, we disclose an efficient and modular approach toward new 1,2-disubstituted bicyclo[2.1.1]hexane modules via [2 + 2] cycloaddition. The system can readily be derivatized with numerous transformations, opening the gate to sp3-rich new chemical space.
Evaluative judgement – a practitioner's case in chemistry research projects
Authors: Bertram Anna , Tomas Carmen
Published: October 2022

Engaging students actively in assessment, using a range of formative activities, consistently over sustained periods is a common recommendation in the assessment for learning literature. Despite this, practice still lags behind. Our case study aims to bridge the widening gap between theory and practice by illustrating the application of recent theoretical concepts in practice. The literature contains many examples and research on isolated events to engage students in assessment. Cases that explore engagement in different formative practices, over extended periods of time, are scarce and challenging for practitioners to implement in the absence of examples and evidence. Consequently, whilst adoption of theory informed practices remains limited, research also remains limited. Our case study aims to bridge the widening gap between practice and theory by elaborating a case example for practitioners. The redesign of a third year laboratory module, in which students undertake research projects, is presented. Our case illustrates how practitioners can incorporate assessment for learning principles, outlined in contemporary frameworks (evaluative judgement) considering process and a learning sequence over an entire year. The learning design of a module, before and after, is fully described to exemplify how practitioners can implement theoretical principles in practice. Students’ perception of the value of the new tasks were gathered to inform reflections for practitioners in the implementation of evaluative judgement.
Kidney ion handling genes and their interaction in blood pressure control
Authors: An Caiyan , Yang Liuyi , Han Tengfei , Song Huazhong , Li Zichao , Zhang Junjing , Zhang Kejin
Published: October 2022

Hypertension affects 30% of adults and is the leading risk factor for cardiovascular disease. Kidney sodium reabsorption plays a vital role in the initial stage and development of essential hypertension. It has been extensively reported that the variants of kidney ion handling genes are associated to blood pressure, and clinical features of hypertension. However, the underlying mechanisms by which these variants alter protein function are rarely summarized. In addition, the variation of one single gene is often limited to induce a significant effect on blood pressure. In the past few decades, the influence by genes × genes (G × G) and/or genotype × environment (G × E) interactions on a given trait, for example, blood pressure, have been widely considered, especially in studies on polygenic genetic traits. In the present review, we discuss the progress in genetics studies on kidney ion handling genes, encoding Na+ channels (Na+-Cl− cotransporter [NCC], Na-K-2Cl cotransporter [NKCC2], epithelial Na+ channels [ENaCs]), K+ channel (renal outer medullary potassium channel [ROMK]), and Cl− channels (Pendrin, chloride voltage-gated channel Kb [CLC-Kb]), respectively, and their upstream kinases, WNKs and SGK1. We seek to clarify how these genes are involved in kidney sodium absorption and influence blood pressure, especially emphasizing the underlying mechanisms by which genetic variants alter protein functions and interaction in blood pressure regulation. The present review aims to enhance our understanding of the important role of kidney ion handling genes/channels in blood pressure control.
Screening for Autism in 2-Year-Old Children: The Application of the Systematic Observation of Red Flags to the Screening Tool for Autism in Toddlers and Young Children
Authors: Rooney Tara , Stern Yael S. , Hampton Lauren H. , Grauzer Jeffrey , Hobson Amanda , Levin Amy , Jones Maranda K. , Kaat Aaron J. , Roberts Megan Y.
Published: October 2022

Purpose:

A multimeasure approach was developed to capitalize on the strengths of two screening measures: the Screening Tool for Autism in Toddlers and Young Children (STAT), an observational measure of social communication, and the Systematic Observation of Red Flags (SORF), a checklist including restricted and repetitive behavior (RRB) items. This approach offers a novel method of identifying autism in toddlers.

Method:

This was a retrospective study of data collected from a multidisciplinary diagnostic program for 24- to 36-month-olds with developmental delays. Raters with autism expertise but naïve to diagnoses applied the SORF to STAT videos. Psychometrics were derived for the SORF on STAT observations and a multiple-measure approach that used a Least Absolute Shrinkage and Selection Operator modeling framework to construct a STAT-SORF RRB Hybrid, retaining SORF RRB items based on individual predictive abilities.

Results:

The SORF alone correctly classified 84% of the sample (84% sensitivity and 86% specificity). The STAT-SORF RRB Hybrid model, which retained four SORF RRB items, correctly classified 90% of a validation sample (95% sensitivity and 75% specificity).

Conclusion:

These findings highlight the potential utility of using multiple autism identification tools and regression-based scoring to establish presumptive eligibility and facilitate early access to autism interventions.
A cross‐layer anti‐jamming method in satellite Internet
Authors: Yan Peijie , Chu Feihuang , Jia Luliang , Qi Nan
Published: October 2022

In view of the diverse jamming environment, the single‐level anti‐jamming method faces some challenges such as poor timeliness, high cost and poor effect. In this paper, routing delay, cost overhead and diversified jamming threats are comprehensively considered. In addition, a cross‐layer anti‐jamming method is proposed in the scenario of busy satellite Internet communication. The proposed cross‐layer anti‐jamming method involves two levels: link‐layer anti‐jamming based on path repair and network‐layer anti‐jamming based on path reconstruction. On the one hand, the channel is selected based on the improved Q‐learning anti‐jamming algorithm to confront common jamming. On the other hand, the route from the source to the destination node is selected based on the cross‐layer anti‐jamming algorithm to confront high‐intensity jamming. Finally, the simulation results show that, compared with other anti‐jamming algorithms, the proposed algorithm can achieve higher efficiency, lower cost, and more robust anti‐jamming routing.
Design of linear parameter‐varying controller for morphing aircraft using inexact scheduling parameters
Authors: Cai Guangbin , Yang Qian , Mu Chaoxu , Li Xin
Published: October 2022

In this paper, the design problem of Gain‐Scheduled Output‐Feedback (GSOF) controllers using inexact scheduling parameters for morphing aircraft during the wing transition process is addressed. Both the stability of the closed‐loop system and the L2 gain performance can be guaranteed under the controller based on measured (not actual) scheduling parameters. Firstly, the linear parameter‐varying (LPV) model of morphing aircraft is established by Jacobian linearization and the additive uncertainty is introduced into the scheduling parameters. By employing non‐linear transformations, the problem is formulated as the solution to a set of parameter‐dependent linear matrix inequalities (LMI) with a single‐line search parameter. Finally, the robustness of the flight control system to the wing transition process is verified under the condition of both the uncertainty of aerodynamic parameters and of scheduling parameters.
On the poles of two‐time‐scale systems
Authors: Shao Zhenhua
Published: October 2022

In this note, the authors will study how the poles of a linear time‐invariant singularly perturbed system are varied versus singular parameter ε, where the poles of the slow and fast subsystems are assumed to be placed in the prescribed regions. An explicit bound is derived such that the poles of the original full order system remain in these regions. Finally, two examples are illustrated to show the applications of the proposed results.
Magnetically regulated collapse in the B335 protostar?
Authors: Cabedo Victoria , Maury Anaëlle , Girart Josep Miquel , Padovani Marco , Hennebelle Patrick , Houde Martin , Zhang Qizhou
Published: October 2022

Context. Whether or not magnetic fields play a key role in dynamically shaping the products of the star formation process is still largely debated. For example, in magnetized protostellar formation models, magnetic braking plays a major role in the regulation of the angular momentum transported from large envelope scales to the inner envelope, and is expected to be responsible for the resulting protostellar disk sizes. However, non-ideal magnetohydrodynamic effects that rule the coupling of the magnetic field to the gas also depend heavily on the local physical conditions, such as the ionization fraction of the gas.

Aims. The purpose of this work is to observationally characterize the level of ionization of the gas at small envelope radii and to investigate its relation to the efficiency of the coupling between the star-forming gas and the magnetic field in the Class 0 protostar B335.

Methods. We obtained molecular line emission maps of B335 with ALMA, which we use to measure the deuteration fraction of the gas, RD, its ionization fraction, χe, and the cosmic-ray ionization rate, ζCR, at envelope radii ≲1000 au.

Results. We find large fractions of ionized gas, χe ≃ 1–8 × 10−6. Our observations also reveal an enhanced ionization that increases at small envelope radii, reaching values up to ζCR ≃ 10−14 s−1 at a few hundred astronomical units (au) from the central protostellar object. We show that this extreme ζCR can be attributed to the presence of cosmic rays accelerated close to the protostar.

Conclusions. We report the first resolved map of ζCR at scales ≲1000 au in a solar-type Class 0 protostar, finding remarkably high values. Our observations suggest that local acceleration of cosmic rays, and not the penetration of interstellar Galactic cosmic rays, may be responsible for the gas ionization in the inner envelope, potentially down to disk-forming scales. If confirmed, our findings imply that protostellar disk properties may also be determined by local processes that set the coupling between the gas and the magnetic field, and not only by the amount of angular momentum available at large envelope scales and the magnetic field strength in protostellar cores. We stress that the gas ionization we find in B335 significantly stands out from the typical values routinely used in state-of-the-art models of protostellar formation and evolution. If the local processes of ionization uncovered in B335 are prototypical to low-mass protostars, our results call for a revision of the treatment of ionizing processes in magnetized models for star and disk formation.
A NuSTAR view of SS433
Authors: Fogantini F. A. , García F. , Combi J. A. , Chaty S. , Martí J. , Luque Escamilla P. L.
Published: October 2022

Context. SS433 is a Galactic microquasar with powerful outflows (double jet, accretion disk and winds) with a well-known orbital, precessional, and nutational period.

Aims. In this work we characterise different outflow parameters throughout the precessional cycle of the system.

Methods. We analysed ten NuSTAR (3–70 keV) observations of ∼30 ks that span ∼1.5 precessional cycles. We extracted averaged spectra and modelled them using a combination of a double thermal jet model (bjet) and pure neutral and relativistic reflection (xillverCp and relxilllpCp) over an accretion disk.

Results. We find an average jet bulk velocity of β = v/c ∼ 0.29 with an opening angle of ≲6 deg. Eastern jet kinetic power ranges from 1 to 1039 erg s−1, with base ‘coronal’ temperatures To ranging from between 14 and 18 keV. Nickel-to-iron abundances remain constant at ∼9 (within 1σ). The western to eastern jet-flux ratio becomes ∼1 on intermediate phases, which is about 35% of the total precessional orbit. The 3–70 keV total unabsorbed luminosity of the jet and disk ranges from 2 to 20 × 1037 erg s−1, with the disk reflection component mainly contributing to the hard 20–30 keV excess and the stationary 6.7 keV ionised Fe line complex.

Conclusions. At low opening angles Θ, we find that the jet expands sideways following an adiabatic expansion of a gas with temperature To. Finally, the central source and lower parts of the jet could be hidden by an optically thick region of τ > 0.1 and size R ∼ NH/ne0 ∼ 1.5 × 109 cm ∼ 1700 rg for MBH = 3 M⊙.