bluuebunny/crossref_metadata_2025 huggingface dataset:
Designated functional microcapsules loaded with green synthesis selenium nanorods and probiotics for enhancing stirred yogurt
Authors: El-Sayed Hoda S. , El-Sayed Samah M. , Youssef Ahmed M.
Published: August 2022

Green synthesis selenium nanorods (Se-NRs) were produced based on Aloe vera leaf extract. The size, morphology, antimicrobial, and activation of Se-NRs for probiotics were analyzed. The Se-NRS was stable with a diameter of 12 and 40 nm, had an antimicrobial effect, and improved probiotics counts. The microcapsules loaded with Green Se-NRS (0, 0.05 or 0.1 mg/100 ml) and probiotics (Bifidobacterium lactis and Lactobacillus rhamnosus) were designated with efficiency between 95.25 and 97.27% and irregular shapes. Microcapsules were saved probiotics against gastrointestinal juices. The microcapsules were showed a minor inhibition effect against the cell line. Also, microcapsules integrated into stirred yogurt and exanimated for microbiology, chemically, and sensory for 30 days. The probiotics counts, acidity, total solids, and ash values of samples were increased during storage periods without affecting fat and protein contents. The overall acceptability of yogurt with microcapsules containing probiotics and Se-NRs was high without change in body, odor, color, and appearance.
Effects of splenectomy on skin inflammation and psoriasis-like phenotype of imiquimod-treated mice
Authors: Shinno-Hashimoto Hiroyo , Eguchi Akifumi , Sakamoto Akemi , Wan Xiayun , Hashimoto Yaeko , Fujita Yuko , Mori Chisato , Hatano Masahiko , Matsue Hiroyuki , Hashimoto Kenji
Published: August 2022

Imiquimod (IMQ) is widely used as animal model of psoriasis, a chronic inflammatory skin disorder. Although topical application of IMQ to back skin causes splenomegaly in mice, how the spleen affects the psoriasis-like phenotype of IMQ-treated mice remains unclear. In this study, we analyzed the cellular composition of spleen and measured metabolites in blood of IMQ-treated mice. We also investigated whether splenectomy influences the degree of skin inflammation and pathology in IMQ-treated mice. Flow cytometry showed that the numbers of CD11b+Ly6c+ neutrophils, Ter119+ proerythroblasts, B220+ B cells, F4/80+ macrophages, and CD11c+ dendritic cells in the spleen were significantly higher in IMQ-treated mice compared to control mice. An untargeted metabolomics analysis of blood identified 14 metabolites, including taurine and 2,6-dihydroxybenzoic acid, whose levels distinguished the two groups. The composition of cells in the spleen and blood metabolites positively correlated with the weight of the spleen. However, splenectomy did not affect IMQ-induced psoriasis-like phenotypes compared with sham-operated mice, although splenectomy increased the expression of interleukin-17A mRNA in the skin of IMQ-treated mice. These data suggest that the spleen does not play a direct role in the development of psoriasis-like phenotype on skin of IMQ-treated mice, though IMQ causes splenomegaly.
Preliminary forensic assessment of the visualised fingerprints on nonporous substrates immersed in water using the green and optimised novel nanobio-based reagent
Authors: Azman Aida Rasyidah , Mahat Naji Arafat , Abdul Wahab Roswanira , Ahmad Wan Azlina , Ismail Dzulkiflee
Published: August 2022

The discovery of forensic evidence (e.g. weapons) during forensic underwater investigations has seen an increasing trend. To date, small particle reagent (SPR) has been one of the routinely used methods for visualising fingerprints on wet, non-porous substrates. However, the long term use of SPR is detrimental to humans and environment due to the use of toxic chemicals. Although previously we have successfully developed and optimised a greener nanobio-based reagent (NBR), its suitable practical use in a more realistic scene (e.g. outdoor pond) was not evaluated. Therefore, this present research is aimed at (1) investigating the performance of NBR against the benchmark SPR in visualising fingerprints immersed in a natural outdoor pond and (2) evaluating the greenness of NBR against the analytical Eco-Scale. Results showed that the performance of the optimised NBR was mostly comparable (University of Canberra (UC) comparative scale: 0) with SPR at visualising fingerprints on three different non-porous substrates immersed in a natural outdoor pond. Observably, the NBR had higher preference towards aged fingerprints (up to 4 weeks of immersion). In addition, its greenness assessment revealed 76 points, indicating ‘excellent green analysis’. The findings gathered here further supported the practical use of the NBR in forensic investigations.
MicroRNA profiling of subcutaneous adipose tissue in periparturient dairy cows at high or moderate body condition
Authors: Sadri Hassan , Ghaffari Morteza Hosseini , Trakooljul Nares , Ceciliani Fabrizio , Sauerwein Helga
Published: August 2022

A growing body of evidence shows that microRNA (miRNA), play important roles in regulating adipose tissue (AT) physiology and function. The objective was to characterize the AT miRNA profile in over-conditioned (HBCS, n = 19) versus moderate-conditioned (MBCS, n = 19) periparturient dairy cows. Tail-head subcutaneous AT biopsied on d -49 and 21 relative to parturition were used for miRNA sequencing. The miR-486 was the most significant miRNA among the upregulated miRNA on d -49, which might be related to more pronounced changes in lipogenesis and altered insulin sensitivity in AT of HBCS cows at dry-off. Comparing HBCS to MBCS on d 21, 23 miRNA were downregulated and 20 were upregulated. The predicted targets of upregulated differentially expressed (DE)-miRNA on d 21 were enriched in different pathways, including pathways related to lysosomes and peroxisomes. The predicted targets of downregulated DE-miRNA on d 21 were enriched in various pathways, including epidermal growth factor receptor, insulin resistance, hypoxia-inducible factor 1 signaling pathway, and autophagy. The results showed that over-conditioning was associated with changes in SCAT miRNA profile mainly on d 21, of which most were downregulated. The enriched pathways may participate in over-conditioning-associated metabolic challenges during early lactation.
Glucocorticoids’ treatment impairs the medium-term immunogenic response to SARS-CoV-2 mRNA vaccines in Systemic Lupus Erythematosus patients
Authors: Garcia-Cirera Silvia , Calvet Joan , Berenguer-Llergo Antoni , Pradenas Edwards , Marfil Silvia , Massanella Marta , Mateu Lourdes , Trinité Benjamin , Llop Maria , Arévalo Marta , Galisteo Carlos , Orellana Cristóbal , Gómez Rafael , Gómez-Gerique María Nieves , Carmona Inma , Clotet Bonaventura , Blanco Julià , Gratacós Jordi
Published: August 2022

Limited data exists on SARS-CoV-2 sustained-response to vaccine in patients with rheumatic diseases. This study aims to evaluate neutralizing antibodies (nAB) induced by SARS-CoV-2 vaccine after 3 to 6 months from administration in Systemic Lupus Erythematosus (SLE) patients, as a surrogate of sustained-immunological response. This cross-sectional study compared nAB titre of 39 SLE patients and 37 Healthy individuals with no previous SARS-CoV-2 infection, who had all received a complete regimen of a mRNA SARS-CoV-2 vaccine within the last 3 to 6 months. We included four lines of SLE treatment including Not-treated, Hydroxychloroquine, immunosuppressive drugs and biological therapy. Glucocorticoids were allowed in all groups. Healthy and Not-treated individuals showed the highest levels of nAB. Treated patients presented lower nAB titres compared to Healthy: a 73% decrease for First-Line patients, 56% for Second-Line treatment and 72% for Third-Line. A multivariate analysis pointed to Glucocorticoids as the most associated factor with declining nAB levels (75% decrease) in treated SLE. Furthermore, a significant reduction in nAB titres was observed for Rituximab-users compared to Healthy subjects (89% decrease). Medium-term response of SLE patients to SARS-CoV-2 mRNA vaccines is negatively impacted in Glucocorticoids and Rituximab users. These findings might help to inform recommendations in vaccination protocols for SLE patients.
The Ntan1 gene is expressed in perineural glia and neurons of adult Drosophila
Authors: Castañeda-Sampedro Ana , Calvin-Cejudo Laura , Martin Fernando , Gomez-Diaz Carolina , Alcorta Esther
Published: August 2022

The Drosophila Ntan1 gene encodes an N-terminal asparagine amidohydrolase that we show is highly conserved throughout evolution. Protein isoforms share more than 72% of similarity with their human counterparts. At the cellular level, this gene regulates the type of glial cell growth in Drosophila larvae by its different expression levels. The Drosophila Ntan1 gene has 4 transcripts that encode 2 protein isoforms. Here we describe that although this gene is expressed at all developmental stages and adult organs tested (eye, antennae and brain) there are some transcript-dependent specificities. Therefore, both quantitative and qualitative cues could account for gene function. However, widespread developmental stage and organ-dependent expression could be masking cell-specific constraints that can be explored in Drosophila by using Gal4 drivers. We report a new genetic driver within this gene, Mz317-Gal4, that recapitulates the Ntan1 gene expression pattern in adults. It shows specific expression for perineural glia in the olfactory organs but mixed expression with some neurons in the adult brain. Memory and social behavior disturbances in mice and cancer and schizophrenia in humans have been linked to the Ntan1 gene. Therefore, these new tools in Drosophila may contribute to our understanding of the cellular basis of these alterations.
Canted antiferromagnetic order in EuZn2As2 single crystals
Authors: Bukowski Zbigniew , Rybicki Damian , Babij Michał , Przewoźnik Janusz , Gondek Łukasz , Żukrowski Jan , Kapusta Czesław
Published: August 2022

Compounds containing Eu show a vast range of unique physical properties due to the interplay of electronic and magnetic properties, which can lead to a nontrivial electronic topology combined with magnetic order. We report on the growth of trigonal ($$P\overline{3 }m1$$

P

3
¯

m
1

space group) EuZn2As2 single crystals and on the studies of their structural, electronic and magnetic properties. A range of experimental techniques was applied including X-ray diffraction, electron microscopy, magnetic susceptibility, magnetization, heat capacity and Mössbauer spectroscopy in the study. We found that Eu has solely a 2+ valence state and its magnetic moments below TN = 19.2 K form a canted antiferromagnetic structure, tilted from the basal plane.
Visual field examinations using different strategies in Asian patients taking hydroxychloroquine
Authors: Kim Ko Eun , Ryu So Jung , Kim Young Hwan , Seo Yuchan , Ahn Seong Joon
Published: August 2022

In this study, we investigated the patterns of visual field (VF) defects and the diagnostic abilities of VF tests using different strategies in Asian patients with hydroxychloroquine retinopathy. Patients screened for hydroxychloroquine retinopathy using optical coherence tomography, fundus autofluorescence, VF, and/or multifocal electroretinography were included. The VF was performed using the Humphrey 30-2 and/or 10-2 strategy, and 2,107 eyes of 1,078 patients with reliable results, including 136 eyes of 68 patients with hydroxychloroquine retinopathy, were analyzed. The characteristics of VF findings were evaluated and the sensitivity and specificity were compared between the 30-2 and 10-2 tests in subgroups of retinopathy severity and pattern. The most common VF defect pattern was partial- or full-ring scotoma in both the 10-2 and 30-2 tests. Among the eyes with hydroxychloroquine retinopathy that underwent both tests, 14.2% showed a disparity between the two tests, almost all at the early stage. In overall and early pericentral retinopathy, the sensitivity of the 30-2 test was significantly higher than that of the 10-2 test (95.7% vs. 77.1% and 90.6% vs. 53.1%, respectively; P < 0.05). However, the specificity of the 10-2 test was significantly higher than that of the 30-2 test (89.6% vs. 84.8%, P < 0.001). Therefore, the pattern of retinopathy should be carefully considered when choosing a VF strategy for better detection of hydroxychloroquine retinopathy.
Improved extraction efficiency of CsPbBr3 perovskite light-emitting diodes due to anodic aluminum oxide nanopore structure
Authors: Chen Lung-Chien , Kao Chien-Hong
Published: August 2022

In this work, we investigate the improvement in the performance of a CsPbBr3 perovskite light-emitting diode (PeLED) due to an anodic aluminum oxide (AAO) nanopore structure. The AAO structure in the CsPbBr3 PeLED structure can improve the light extraction efficiency of CsPbBr3 PeLEDs in two ways: the emission light in the side direction being redirected to the normal direction due to the light scattering effect caused by aluminum oxide nanopores and the effective emission area as a result of the rough surface of the AAO structure. The peak luminance, current efficiency, and external quantum efficiency (EQE) were 11,460 cd/m2, 2.03 cd/A, and 0.69% at a bias of 6.0 V, respectively. For comparison, the luminance, current efficiency, and EQE values of CsPbBr3 PeLEDs with the AAO structure using 50 V of pore-expanding voltage demonstrated improvements of 282%, 190%, and 1280%, respectively, over CsPbBr3 PeLEDs without the AAO structure.
Selection of seismic isolation system parameters for the near-optimal design of structures
Authors: Leblouba Moussa
Published: August 2022

The benefits of seismic isolation are many. Structures that are isolated from the ground seismically perform better than those that are not. They experience reduced floor accelerations and drifts and are less likely to experience damage to structural elements. Additionally, their contents are better protected from the effects of earthquakes. The selection and design of seismic isolation devices are complex and require a good understanding of how they behave during earthquakes. This study investigates the effect of various isolation system parameters and ground motion characteristics on the seismic response of base isolated structures in order to develop rational procedures for design and analysis. Additionally, the study investigates the problem of optimal design of seismic isolation systems through parametric nonlinear dynamic analysis. Results showed that the maximum base shear and displacement were velocity-sensitive and that the peak ground velocity controls the motion. The largest maximum base shear occurred when using isolation systems with high yield strength levels and low degrees of nonlinearity, while the smallest maximum base shear occurred when using low yield strength levels and high degrees of nonlinearity. Results from the study can be used to select the appropriate isolation devices and design them correctly to achieve the benefits they provide.
The emerging pathogen Enterocytozoon hepatopenaei drives a degenerative cyclic pattern in the hepatopancreas microbiome of the shrimp (Penaeus vannamei)
Authors: López-Carvallo Jesús Antonio , Cruz-Flores Roberto , Dhar Arun K.
Published: August 2022

The microsporidian Enterocytozoon hepatopenaei (EHP) is an emerging pathogen that causes substantial economic losses in shrimp (Penaeus spp.) aquaculture worldwide. To prevent diseases in shrimp, the manipulation of the gut microbiota has been suggested. However, prior knowledge of the host-microbiome is necessary. We assessed the modulation of the microbiome (bacteria/fungi) and its predicted functions over the course of disease progression in shrimp experimentally challenged with EHP for 30 days using high throughput 16S rRNA and ITS amplicon sequencing. Infection grade was assessed for the first time by quantitative digital histopathology. According to the infection intensity, three disease-stages (early/developmental/late) were registered. During the early-stage, EHP was not consistently detected, and a high diversity of potentially beneficial microorganisms related to nutrient assimilation were found. In the development-stage, most of the shrimp start to register a high infection intensity related to a decrease in beneficial microorganisms and an increase in opportunistic/pathogenic fungi. During late-stage, animals displayed different infection intensities, showed a displacement of beneficial microorganisms by opportunistic/pathogenic bacteria and fungi related to pathogen infection processes and depletion of energetic reserves. The degenerative cyclic pattern of EHP infection and its effects on beneficial microorganisms and beneficial functions of the shrimp hepatopancreas microbiome are discussed.
Oral functional impairment may cause malnutrition following oral cancer treatment in a single-center cross-sectional study
Authors: Morioka Reon , Matsuda Yuhei , Kato Akira , Okui Tatsuo , Okuma Satoe , Tatsumi Hiroto , Kanno Takahiro
Published: August 2022

Oral dysfunction and dysphagia after oral cancer treatment are linked to altered nutritional status. We aimed to identify specific oral functions related to nutritional status. We conducted a cross-sectional study from September 2019 to December 2021, recruited 75 participants (median age: 72.0 years), including 52 males and 23 females, collected background data, and evaluated oral function. The Mini Nutritional Assessment-Short Form (MNA-SF) scores were divided into three groups (normal nutritional status, at risk of malnutrition, and malnourished), and a multi-group comparison was conducted for each oral function measurement (microorganisms, oral dryness, occlusal force, tongue pressure, masticatory function, and Eating Assessment Tool [EAT-10]). The primary tumor site was the tongue in 31 patients (41.3%), gingiva in 30 (40.0%), and others in 14 (18.7%). Multiple comparisons revealed significant differences in occlusal force, tongue pressure, masticatory function, and EAT-10 levels, categorized as Type I (Transport type) and Type III (Occlusion type) postoperative oral dysfunctions, between each MNA-SF group. Multiple regression analysis showed a statistically significant association with MNA-SF in terms of masticatory function and EAT-10 levels, categorized as Type I. Type I and Type III are risk factors for malnutrition, confirming that different types of postoperative oral dysfunction require unique nutritional guidance.
Development of a novel method for measuring tissue oxygen pressure to improve the hypoxic condition in subcutaneous islet transplantation
Authors: Mitsugashira Hiroaki , Imura Takehiro , Inagaki Akiko , Endo Yukiko , Katano Takumi , Saito Ryusuke , Miyagi Shigehito , Watanabe Kimiko , Kamei Takashi , Unno Michiaki , Goto Masafumi
Published: August 2022

Subcutaneous tissue is a promising site for islet transplantation, but poor engraftment, due to hypoxia and low vascularity, hinders its prevalence. However, oxygen partial pressure (pO2) of the subcutaneous space (SC) and other sites were reported to be equivalent in several previous reports. This contradiction may be based on accidental puncture to the indwelling micro-vessels in target tissues. We therefore developed a novel optical sensor system, instead of a conventional Clark-type needle probe, for measuring tissue pO2 and found that pO2 of the SC was extremely low in comparison to other sites. To verify the utility of this method, we transplanted syngeneic rat islets subcutaneously into diabetic recipients under several oxygenation conditions using an oxygen delivery device, then performed pO2 measurement, glucose tolerance, and immunohistochemistry. The optical sensor system was validated by correlating the pO2 values with the transplanted islet function. Interestingly, this novel technique revealed that islet viability estimated by ATP/DNA assay reduced to less than 75% by hypoxic condition at the SC, indicating that islet engraftment may substantially improve if the pO2 levels reach those of the renal subcapsular space. Further refinements for a hypoxic condition using the present technique may contribute to improving the efficiency of subcutaneous islet transplantation.
A novel empirical classification method for weak rock slope stability analysis
Authors: Azarafza Mohammad , Hajialilue Bonab Masoud , Derakhshani Reza
Published: August 2022

This study presents a novel empirical classification system for stability analysis of rock slopes in weak rock based on their geotechnical and geological properties. For this purpose, consideration is given to the marly rock slopes, which include three main groups of weak rock (lime marlstone, marlstone, and marly limestone). The 40 different slopes located in the South Pars special zone (Assalouyeh), southwest of Iran, are targeted in classification. To prepare comprehensive graphical stability charts for weak rocks, extensive field surveys, sampling, geotechnical laboratory tests, and ground measurements are conducted in slope sites. Using the findings of the study, empirical stability charts for slopes composed of weak materials were developed. The charts are associated with geotechnical indexes, geo-units’ weathering impact, and in-situ stress conditions. Using these graphical charts assists in investigating the stability condition of rock slopes and estimating the geotechnical characteristics of clay-based weak rocks such as marlstones.
madd-4 plays a critical role in light against Bursaphelenchus xylophilus
Authors: Zhou Lifeng , Sheng Bicheng , Zhang Tianyuan , Liu Wenyi , Guo Kai , Yu Hongshi , Bai Liqun , Hu Jiafu
Published: August 2022

Bursaphelenchus xylophilus is a notorious invasive species, causing extensive losses to pine ecosystems globally. Previous studies had shown that the development of B. xylophilus was seriously suppressed by light. However, the mechanism involved in the inhibition is unknown. Here, it is the first report that Bxy-madd-4 is a light-regulated gene, plays a potential role in B. xylophilus in responding to the blue light. Transcriptome sequencing revealed that the expression level of Bxy-madd-4 declined by 86.39% under blue light. The reverse transcription quantitative real-time PCR results were in accord with the transcriptome sequencing, confirming the expression level of Bxy-madd-4 was suppressed by blue light. Bxy-madd-4 promoter::mCherry reporter constructed in Caenorhabditis elegans were utilized to mimic the spatiotemporal expression patterns of Bxy-madd-4. Bxy-madd-4A promoter activity had a strong continuity throughout all development stages in C. elegans. Further RNA interference indicated that only 36.8% of the Bxy-madd-4 dsRNA treated embryos were hatched. Moreover, 71.6% of the hatched nematodes were abnormal, such as particles on the body surface and concave tissues. Our findings contribute towards a better understanding of the mechanism of light against the destructive invasive nematode, providing a promising hint for control of the destructive invasive nematode.
Engineered endosymbionts that alter mammalian cell surface marker, cytokine and chemokine expression
Authors: Madsen Cody S. , Makela Ashley V. , Greeson Emily M. , Hardy Jonathan W. , Contag Christopher H.
Published: August 2022

Developing modular tools that direct mammalian cell function and activity through controlled delivery of essential regulators would improve methods of guiding tissue regeneration, enhancing cellular-based therapeutics and modulating immune responses. To address this challenge,Bacillus subtiliswas developed as a chassis organism for engineered endosymbionts (EES) that escape phagosome destruction, reside in the cytoplasm of mammalian cells, and secrete proteins that are transported to the nucleus to impact host cell response and function. Two synthetic operons encoding either the mammalian transcription factorsStat-1andKlf6orKlf4andGata-3were recombined into the genome ofB. subtilisexpressing listeriolysin O (LLO) fromListeria monocytogenesand expressed from regulated promoters. Controlled expression of the mammalian proteins fromB. subtilisLLO in the cytoplasm of J774A.1 macrophage/monocyte cells altered surface marker, cytokine and chemokine expression. Modulation of host cell fates displayed some expected patterns towards anti- or pro-inflammatory phenotypes by each of the distinct transcription factor pairs with further demonstration of complex regulation caused by a combination of the EES interaction and transcription factors. Expressing mammalian transcription factors from engineered intracellularB. subtilisas engineered endosymbionts comprises a new tool for directing host cell gene expression for therapeutic and research purposes.
CD44a functions as a regulator of p53 signaling, apoptosis and autophagy in the antibacterial immune response
Authors: Cao Lu , Fang Hong , Yan Dong , Wu Xiao Man , Zhang Jie , Chang Ming Xian
Published: August 2022

The cell adhesion molecule CD44 has been implicated in diverse biological functions including the pathological responses to infections and inflammatory diseases. The variable forms of CD44 contribute to functional variations, which are not yet defined in teleost. Here, we show that zebrafish CD44a plays a protective role in the host defense againstEdwardsiella piscicidainfection. Zebrafish CD44a deficiency inhibits cell growth and proliferation, impairs cell growth and death pathways, and regulates the expression levels of many genes involved in p53 signaling, apoptosis and autophagy. In addition, CD44a gene disruption in zebrafish leads to inhibition of apoptosis and induction of autophagy, with the increased susceptibility toE. piscicidainfection. Furthermore, we show that zebrafish CD44a variants including CD44a_tv1 and CD44a_tv2 promote the translocation of p53 from the nucleus to the cytoplasm and interact with p53 in the cytoplasm. Mechanistically, zebrafish CD44a_tv1 mediates the beneficial effect for larvae survival infected withE. piscicidais depending on the CASP8-mediated apoptosis. However, the antibacterial effect of zebrafish CD44a_tv2 depends on the cytoplasmic p53-mediated inhibition of autophagy. Collectively, our results identify that different mechanisms regulate CD44a variants-mediated antibacterial responses.
TTYH family members form tetrameric complexes at the cell membrane
Authors: Melvin Emelia , Kalaninová Zuzana , Shlush Elia , Man Petr , Giladi Moshe , Haitin Yoni
Published: August 2022

The conserved Tweety homolog (TTYH) family consists of three paralogs in vertebrates, displaying a ubiquitous expression pattern. Although considered as ion channels for almost two decades, recent structural and functional analyses refuted this role. Intriguingly, while all paralogs shared a dimeric stoichiometry following detergent solubilization, their structures revealed divergence in their relative subunit orientation. Here, we determined the stoichiometry of intact mouse TTYH (mTTYH) complexes in cells. Using cross-linking and single-molecule fluorescence microscopy, we demonstrate that mTTYH1 and mTTYH3 form tetramers at the plasma membrane, stabilized by interactions between their extracellular domains. Using blue-native PAGE, fluorescence-detection size-exclusion chromatography, and hydrogen/deuterium exchange mass spectrometry (HDX-MS), we reveal that detergent solubilization results in tetramers destabilization, leading to their dissolution into dimers. Moreover, HDX-MS demonstrates that the extracellular domains are stabilized in the context of the tetrameric mTTYH complex. Together, our results expose the innate tetrameric organization of TTYH complexes at the cell membrane. Future structural analyses of these assemblies in native membranes are required to illuminate their long-sought cellular function.
Why big data and compute are not necessarily the path to big materials science
Authors: Fujinuma Naohiro , DeCost Brian , Hattrick-Simpers Jason , Lofland Samuel E.
Published: August 2022

Applied machine learning has rapidly spread throughout the physical sciences. In fact, machine learning-based data analysis and experimental decision-making have become commonplace. Here, we reflect on the ongoing shift in the conversation from proving that machine learning can be used, to how to effectively implement it for advancing materials science. In particular, we advocate a shift from a big data and large-scale computations mentality to a model-oriented approach that prioritizes the use of machine learning to support the ecosystem of computational models and experimental measurements. We also recommend an open conversation about dataset bias to stabilize productive research through careful model interrogation and deliberate exploitation of known biases. Further, we encourage the community to develop machine learning methods that connect experiments with theoretical models to increase scientific understanding rather than incrementally optimizing materials. Moreover, we envision a future of radical materials innovations enabled by computational creativity tools combined with online visualization and analysis tools that support active outside-the-box thinking within the scientific knowledge feedback loop.
Spatially explicit life cycle assessments reveal hotspots of environmental impacts from renewable electricity generation
Authors: Schomberg Anna C. , Bringezu Stefan , Flörke Martina , Biederbick Hannes
Published: August 2022

Renewable energy generation has great potential to reduce greenhouse gas emissions, however, it may exacerbate other environmental impacts, such as water scarcity, elsewhere in the supply chain. Here, we reveal a wide range of global environmental impacts of concentrated solar power, run-of-river hydropower, and biomass burning compared to classical coal-fired power: Spatially explicit life cycle impact assessment is used to evaluate their supply chains with respect to demand for energy, land, material, and water, greenhouse gas emissions, and impacts on human health and ecosystem quality with a focus on mining. Hotspot analyses in terms of location and type of impact show that there is no clear preference for any of the technologies, mainly because water consumption is often critical on-site. The examined concentrated solar power plant is the least suitable for a sustainable energy transition: Its spatial hotspots are spreading the furthest globally and may exceed those of coal combustion in number and severity. The presented methodology is the basis to mitigate such environmental hotspots.
In situ synthesis of chiral AuNCs with aggregation-induced emission using glutathione and ceria precursor nanosheets for glutathione biosensing
Authors: Halawa Mohamed Ibrahim , Wu Guoxing , Salem Alaa Eldin A. , Su Lei , Li Bing Shi , Zhang Xueji
Published: August 2022

Au(i)–SG/Ce(CO3)2 NS conjugated nanoprobe was developed for selective GSH detection. The redox reaction between GSH and the NS could release Ce3+ ions to initiate the intense AIE of Au(i)–SG oligomers.
Pro-apoptotic and size-reducing effects of protein corona-modulating nano-architectures enclosing platinum prodrug in in vivo oral carcinoma
Authors: Mapanao Ana Katrina , Sarogni Patrizia , Santi Melissa , Menicagli Michele , Gonnelli Alessandra , Zamborlin Agata , Ermini Maria Laura , Voliani Valerio
Published: August 2022

A protein corona-modulating peptide is integrated with non-persistent plasmonic nano-architectures containing a cisplatin prodrug to improve the efficacy of the nanomaterial-mediated chemotherapy in alternative in vivo models of oral carcinoma.
Efficient synthesis and replication of diverse sequence libraries composed of biostable nucleic acid analogues
Authors: Hervey John R. D. , Freund Niklas , Houlihan Gillian , Dhaliwal Gurpreet , Holliger Philipp , Taylor Alexander I.
Published: August 2022

Blends of engineered polymerases enable efficient DNA-templated synthesis and reverse transcription of diverse-sequence oligonucleotide libraries composed of locked nucleic acid (LNA), 2′-O-methyl-RNA (2′OMe-RNA), or mixtures of the two.
Confining isolated photosensitizers to relieve self-aggregation and potentiate photodynamic efficacy for synergistic cancer therapy
Authors: Liu Gang , Wang Hui , Shi Cai , Chen Guanghui , Wang Yuqiao , Huang Wenjing , Zhao Hao
Published: August 2022

Confining isolated photosensitizers in Pt/TCPP NCPs to tailor aggregation extent on-demand will alleviate the aggregation-caused-quenching (ACQ) effect and greatly potentiate the photodynamic effect for robustly synergistic cancer PDT/chemotherapy.
Diverse reactivity of a magnesium silanide toward ketones
Authors: Okokhere-Edeghoghon Bibian , Hill Michael S. , Mahon Mary F. , McMullin Claire L.
Published: August 2022

A molecular magnesium silanide displays significant variability in its reactivity toward ketones that is dependent on the structure and electronic character of the carbonyl reagent.
Cp*Co(iii)-catalyzed thiocarbamate-directed C–H aminocarbonylation, amination, and cascade annulation of pyrroles
Authors: Saha Shuvendu , Maji Modhu Sudan
Published: August 2022

Cobalt(iii)-catalyzed thiocarbamate directed aminocarbonylation and amination of C–H bonds are described to access diverse amides.
A photo-activated aptamer–drug conjugate for targeted drug delivery
Authors: Liu Jing , Liu Xiangjun , Yi Mengwen , Sun Yue , Bing Tao , Zhang Nan , Shangguan Dihua
Published: August 2022

A photo-activated ApDC, HG1-9–DNP, could be internalized into target cells mediated by TfR, then photocleaved and released a promising cytotoxic agent DNNH, which arrested the cell cycle at the G2/M phase, resulting in high cytotoxicity.
Triple helix and rod structures of the antiseptic drug bibrocathol revealed by electron crystallography
Authors: Svensson Grape Erik , Willhammar Tom , Inge A. Ken
Published: August 2022

Electron crystallography investigations of a commercial formulation reveals long-used anti-septic drug bibrocathol as mixture of helical and rod-shaped phases.
Quantitative UO bond activation in uranyl complexes via silyl radical transfer
Authors: Valerio Leyla R. , Hakey Brett M. , Brennessel William W. , Matson Ellen M.
Published: August 2022

Reductive silylation of the uranyl dication with 1,4-bis(trimethylsilyl)dihydropyrazine, or “Mashima's reagent”, is detailed.
Three novel Co(ii)-based MOFs: syntheses, structural diversity, and adsorption properties
Authors: Gao Qian , Wei Yaoyi , Wang Lulu , Luo Rong , Wang Jinmiao , Xie Chenze , Li Jingjing , Li Na , Bi Shuangyu , Zhang Xia
Published: August 2022

MOF 3 was synthesized by a solvothermal method, and its adsorption capacity was found to be as high as 1215.4 mg g−1.
Modulating the Schottky barrier of MXenes/2D SiC contacts via functional groups and biaxial strain: a first-principles study
Authors: Huang Lingqin , Deng Xuliang , Pan Sumin , Cui Wenwen
Published: August 2022

2D MXene Ti3C2T2 (T=F, O, OH) are employed to serve as electrode for 2D SiC through van der Waals interaction. The Schottky barrier height of contacts can be tuned by changing the functional T group of Ti3C2T2 and applying biaxial strain.
An investigation of the predominant structure of antibiotic azithromycin in chloroform solution through NMR and thermodynamic analysis
Authors: Hernandes Isabel S. , Da Silva Haroldo C. , Dos Santos Hélio F. , P. Ávila Eloah , De Almeida Mauro V. , Gomes Matheus G. R. , Paschoal Diego F. S. , De Almeida Wagner B.
Published: August 2022

DFT-PCM-5CHCl3 optimized structure of azithromycin likely to be observed in chloroform solution according to thermodynamic and 1H NMR data. The solid-state structure resembles very well the theoretically predicted conformation to exist in solution.
On-surface synthesis of ethers through dehydrative coupling of hydroxymethyl substituents
Authors: Yan Yuyi , Zheng Fengru , Zhu Zhiwen , Lu Jiayi , Jiang Hao , Sun Qiang
Published: August 2022

We achieved the surface-assisted synthesis of ethers through the homocoupling of hydroxymethyl substituents on Ag(111).
A DFT study of boron nitride-confined nickel single atoms for the oxidation of methane to methanol
Authors: Wang Sanmei , Yu Bo , Wang Liangbing
Published: August 2022

Direct oxidation of methane to methanol (DMTM) remains an economically tantalizing but fundamentally challenging goal because of the highly stable C–H bonds. Embedding Ni into O-doped BN via two N atoms and one O atom coordination (Ni1/O1N2-BN) was an efficient option for DMTM.
NiFe2O4@B,N,F-tridoped CeO2 (NFTDNC): a mesoporous nanocatalyst in the synthesis of pyrazolopyranopyrimidine and 1H-pyrazolo[1,2-b]phthalazine-5,10-dione derivatives and as an adsorbent
Authors: Sharma Neha , Chowhan Bushra , Gupta Monika , Kouser Mobina
Published: August 2022

We assembled a distinctive tridoped mesoporous nanomaterial and estabished its applictaions as a potent catalyst as well as an adsorbent.
Synthesis and reactivity of a tris(carbene) zinc chloride complex
Authors: Sherbow Tobias J. , Li Keyan , Zakharov Lev N. , Pluth Michael D.
Published: August 2022

Reactions of the electron rich PhB(tBuIm)3ZnCl complex with n-BuLi and [K.18-C-6]2[S4] lead to the formation of the carbon-rich coordination complex PhB(tBuIm)3ZnBu and the tetrahedral tetrasulfido complex PhB(tBuIm)2(tBuImH)Zn(κ2-S4), respectively.
Assessing residential indoor and outdoor bioaerosol characteristics using the ultraviolet light-induced fluorescence-based wideband integrated bioaerosol sensor
Authors: Addor Yao S. , Baumgardner Darrel , Hughes Dagen , Newman Nicholas , Jandarov Roman , Reponen Tiina
Published: August 2022

We assessed and compared indoor and outdoor residential aerosol particles in a third-floor apartment from August through September 2020.
A fluorescent Ce-EDTA probe for the sensing of ascorbic acid and lysine in real samples
Authors: Rajpal  , Kumar Ashish , Jana Subhajit , Singh Priya , Prakash Rajiv
Published: August 2022

In the present work, a fluorescent probe based on an aqueous dispersion of coordination complex Ce-EDTA is utilized for sensing carboxyl compounds.
Switching endurance of the molecular spin crossover complex [Fe(HB(tz)3)2]: from single crystals to thin films and electronic devices
Authors: Zhang Yuteng , Zhang Lijun , Ridier Karl , Salmon Lionel , Séguy Isabelle , Molnár Gábor , Bousseksou Azzedine
Published: August 2022

The spin-state switching behavior of [Fe(HB(tz)3)2] remains virtually unaltered for more than 104 endurance cycles in ambient air in single crystals, thin films and metal–insulator–metal junctions, highlighting the scope for technological applications.
Bioinspired conductive structural color hydrogels as a robotic knuckle rehabilitation electrical skin
Authors: Shao Wenwen , Zhang Lihao , Jiang Zhijun , Xu Mingtian , Chen Yufei , Li Sunlong , Liu Cihui
Published: August 2022

A novel conductive structural color hydrogel used as a robotic knuckle rehabilitation skin. The electronic skin can achieve real-time color and electrical response sensing, could be used in the human knuckle rehabilitation robot.
Emerging single-atom iron catalysts for advanced catalytic systems
Authors: Chang Baisong , Wu Shaolong , Wang Yang , Sun Taolei , Cheng Zhen
Published: August 2022

Isolated metal atoms on supports tend to migrate and agglomerate in the processes of catalyst design and construction, thus achieving precise control of high metal loading and single-atomic dispersion is significant.
Recent progress on polyvinylidene difluoride-based nanocomposites: applications in energy harvesting and sensing
Authors: Sharma Saloni , Mishra Shashank Shekhar , Kumar Rajesh , Yadav Ram Manohar
Published: August 2022

Nanogenerators are a kind of self-powered device attracted much attention for conversion of mechanical energy into electricity. Various types of organic and inorganic filler materials in PVDF polymer have been suggested to improve the performance.
strong synergistic effect of the (110) and (100) facets of the SrTiO3 perovskite micro/nanocrystal: decreasing the binding energy of exciton and superb photooxidation capability for Co2+
Authors: Jia Qibo , Wang Chuyu , Liu Jian , Cai Xiaojiao , Zhong Li , Yu Gangqiang , Duan Dongping
Published: August 2022

We have obtained self-trapping excitons (STEs) with an ultra-low binding energy by regulating the synergistic effect of (100) and (110) facets in the SrTiO3 micro-nano crystal, which processed super photo-oxidation performance for Co2+.
A self-assembly growth strategy for a highly ordered ferroelectric nanoisland array
Authors: Wang Yue , Chen Mingfeng , Ma Ji , Zhang Qinghua , Liu Yiqun , Liang Yuhan , Hou Lingxuan , Lin Yuanhua , Nan Cewen , Ma Jing
Published: August 2022

A self-assembly growth strategy for a highly ordered ferroelectric BiFeO3nanoisland array with robust switchable ferroelectric topological quad-domain configurations is developed by patterning preferential nucleation sites.
Insight into the photocatalytic mechanism of the optimalxvalue in the BiOBrxI1−x, BiOClxI1−xand BiOClxBr1−xseries varying with pollutant type
Authors: Lu Ruixin , Zahid Abdul Hannan , Han Qiaofeng
Published: August 2022

The optimal composition of BiOBrxI1−xsolid solution changes with pollutant type, which could be attributed to the difference between the valence band potential of the BiOBrxI1−xsolid solution and the oxidation potential of the pollutants.
Exploring the mechanisms of drug-delivery by decorated ZnO nanoparticles through predictive ReaxFF molecular dynamics simulations
Authors: Trouki Cheherazade , Barcaro Giovanni , Monti Susanna
Published: August 2022

Dynamics of assembling an OLA-functionalized ZnO vehicle, loading an anticancer drug, and releasing the loaded cargo to the target sites.
The annulation of N-hydroxyoximes and 1,3-diyne to synthesize alkynylated isoquinolines regioselectively catalyzed by ruthenium: a theoretical study
Authors: Liu Haibo , Shi Hongpeng , Han Pengdong , Meng Zitong , Liu Tao , Han Lingli
Published: August 2022

The mechanisms of the regioselective annulation of N-hydroxyoximes and 1,3-diyne to synthesize alkynylated isoquinolines by using the catalyst [RuCl2(p-cymene)]2 have been theoretically investigated with the aid of density functional theory (DFT) calculations.
Base-catalyzed multicomponent access to quinoxalin-2-thiones from o-phenylenediamines, aryl ketones and sulfur
Authors: Nguyen Thanh Binh , Mac Dinh Hung , Tran Thi Minh Chau , Nguyen Bich Ngoc , Cao Hai Thuong
Published: August 2022

Quinoxalin-2-thiones were readily synthesized from o-phenylenediamines, ketones and sulfur. The reactions proceeded under simple and mild conditions with chromatography-free purification and were amenable to large-scale synthesis.
Photocatalyst-free hydroacylations of electron-poor alkenes and enones under visible-light irradiation
Authors: Pálvölgyi Ádám Márk , Ehrschwendtner Florian , Schnürch Michael , Bica-Schröder Katharina
Published: August 2022

4-Acyl-Hantzsch esters have been used for the radical hydroacylation of various alkene acceptors. This protocol provided high yields for three different substrate classes and neither a photocatalyst nor additives were required.
Interaction-determined extraction capacity between rare earth ions and extractants: taking lanthanum and lutetium as models through theoretical calculations
Authors: Zheng Haifeng , Li Yanling , Zhang Xuyi , Han Jinglu , Li Songsong , Wu Guolong , Liu Qingshi , Liu Xiaojuan , Liao Wuping
Published: August 2022

The extraction capacity is determined by the number of electrons transferred from a branched chain, which is conducive to the rapid design of a large number of new extractants.
Efficient violet-light-excitable blue-cyan phosphor for full-spectrum lighting
Authors: Shao Yuhe , Cai Hao , Zhao Fangyi , Liu Shengqiang , Song Zhen , Liu Quanlin
Published: August 2022

Through structure design and composition optimization, an efficient and thermally stable T-phase blue-cyan Ba1.305Ca0.38Mg0.3SiO4:0.015Eu2+phosphor, which can be excited by violet light, was synthesized.
Impact of varying the phenylboronic acid position in macrocyclic Eu(iii) complexes on the recognition of adenosine monophosphate
Authors: Bodman Samantha E. , Breen Colum , Plasser Felix , Butler Stephen J.
Published: August 2022

We present a series of sterically demanding Eu(iii) complexes and identify the optimal position of the peripheral phenylboronic acid to achieve the multisite recognition of AMP (adenosine monophosphate) in aqueous solution.
Regiodivergent hydrosilylation in the nickel(0)-catalyzed cyclization of 1,6-enynes
Authors: Bai Dachang , Cheng Ruoshi , Yang Jiaxin , Xu Wenjie , Chen Xingge , Chang Junbiao
Published: August 2022

The divergent nickel(0)-catalyzed hydrosilylation/cyclization of 1,6-enynes has been developed, providing an efficient synthetic route for vinyl silanes or alkyl silanes from the same starting materials.
Structural properties and antioxidation activities of lignins isolated from sequential two-step formosolv fractionation
Authors: Duan Xiaoxia , Wang Xueke , Chen Jiangwei , Liu Guijiang , Liu Yun
Published: August 2022

Phragmites australis was subjected to a sequential two-step formosolv fractionation using 88% formic acid (FA) followed by 70% FA to obtain lignin fractions. The relationship between structure and antioxidation of the isolated lignin was elucidated.
Removal of methyl orange from water by Fenton oxidation of magnetic coconut-clothed biochar
Authors: Xu Jia , Ma Qianhui , Feng Wen , Zhang Xiaopeng , Lin Qiang , You Chenghang , Wang Xianghui
Published: August 2022

Water pollution has become a serious environmental problem to date. Advanced oxidation processes (AOP) have been widely applied in water treatments.
Impact of strain engineering and Sn content on GeSn heterostructured nanomaterials for nanoelectronics and photonic devices
Authors: Nawwar Mohamed A. , Abo Ghazala Magdy S. , Sharaf El-Deen Lobna M. , Kashyout Abd El-hady B.
Published: August 2022

Heterostructures based on the GeSn nanocompound have high impact on integrated photonics devices.
Fabrication of ballpoint-ink via encapsulating inorganic pigments in microemulsion gels
Authors: Beri Deski , Budiman Septian , Sudiar Nofi Yendri , Yusra Alfajri , Erianjoni Erianjoni , Ganefri Ganefri , Amran Ali
Published: August 2022

The way to fabricate ballpoint ink from microemulsions gel.
Synthesis of benzothiazole-appended bis-triazole-based structural isomers with promising antifungal activity against Rhizoctonia solani
Authors: Upadhyay Ravindra Kumar , Saini Keshav Kumar , Deswal Nidhi , Singh Tejveer , Tripathi Kailash Pati , Kaushik Parshant , Shakil Najam Akhtar , Bharti Alok Chandra , Kumar Rakesh
Published: August 2022

Two novel series (5a–f, 6 and 7a–f, 8) of benzothiazole-appended bis-triazole derivative-based fungicides were prepared and their antifungal activity evaluated against plant pathogen Rhizoctonia solani. It was found that compound 5f is the most potent fungicide.
Synthesis and evaluation of the antioxidant activity of 3-pyrroline-2-ones: experimental and theoretical insights
Authors: Nguyen Nguyen Tran , Dai Vo Viet , Mechler Adam , Hoa Nguyen Thi , Vo Quan V.
Published: August 2022

Derivatives of 3-hydroxy-3-pyrroline-2-one were effectively synthesizedviamulticomponent reactions and exhibited potential HO˙ radical scavenging activity.
Combinatorial synthesis enables scalable designer detergents for membrane protein studies
Authors: Urner Leonhard H. , Ariamajd Armin , Weikum Alex
Published: August 2022

Combinatorial detergent synthesis permits access to an unexplored part of the detergentome and provides new directions for the preparation of custom-made detergents for future applications.
Mesoporous multi-shelled hollow resin nanospheres with ultralow thermal conductivity
Authors: Yuan Ruilin , Wang Chun , Chen Long , Cheng Han , Bi Wentuan , Yan Wensheng , Xie Yi , Wu Changzheng
Published: August 2022

Mesoporous multi-shelled hollow nanospheres with periodic interfaces have been developed, representing a new kind of hollow nanostructure. Due to the suppression of heat convection, ultralow thermal conductivity can be achieved from 298 K to 473 K.
Multiple Pickering emulsions stabilized by surface-segregated micelles with adaptive wettability
Authors: Zhang Tongtong , Jiang Hang , Hong Liangzhi , Ngai To
Published: August 2022

Surface-segregated micelles (SSMs) with adaptive wettability have considerable potential for application in Pickering emulsions and microreactors.