bluuebunny/crossref_metadata_2025 huggingface dataset:
Subduction of an Oceanic Plateau Across Southcentral Alaska: High‐Resolution Seismicity
Authors: Daly Kiara A. , Abers Geoffrey A. , Mann Michael Everett , Roecker Steven , Christensen Douglas H.
Published: November 2021

In southcentral Alaska, the Alaska‐Aleutian Wadati‐Benioff zone (WBZ) shows high seismicity rates west of 147°W. Further east, the Wrangell volcanic field (WVF) has some of the world's largest continental volcanoes but there is equivocal evidence for a WBZ. We deployed a dense seismometer array around the WVF between 2016 and 2018 and used the data to increase the number of detected earthquakes using an autodetection and location algorithm. One‐dimensional velocity inversion and double‐difference earthquake location further improve earthquake locations. Subcrustal earthquakes form a narrow band of dipping seismicity—a weak but clear WVF WBZ—which strikes parallel to the volcanic trend and dips highly oblique to plate motion. The WVF WBZ is continuous from the coast to a depth of 100 km beneath Mount Wrangell. Earthquakes shallower than 40 km are continuous between the two WBZs, indicating continuity of the subducting Yakutat terrane across the region. However, the earthquakes deeper than 40 km are offset by hundreds of kilometers, which may indicate a slab tear separating the Alaska–Aleutian WBZ from the WVF WBZ. Seismicity rates differ by over 2 orders of magnitude between the separate WBZs, despite the similar incoming plate, with the relatively seismically quiescent WBZ underlying the much more prolific WVF. Higher slab‐surface temperatures beneath the WVF, due to flow around the slab edges and the oblique geometry, may lead to low seismicity rates within subducting crust, as seen in other warm slabs, but abundant water is still transported to subarc depths within the mantle wedge.
Sudden infant death syndrome revisited: serotonin transporter gene, polymorphisms and promoter methylation
Authors: Pfisterer Nina , Meyer-Bockenkamp Fiona , Qu Dong , Preuss Vanessa , Rothämel Thomas , Geisenberger Dorothee , Läer Katharina , Vennemann Benedikt , Albers Anne , Engelmann Theresa A. , Frieling Helge , Rhein Mathias , Klintschar Michael
Published: November 2021

Background

Based on findings in the brain stems of SIDS victims, the serotonin transporter (5-HTT) gene has been discussed to be associated with SIDS.

Methods

In the largest study to date, we investigated the promoter length (5-HTTLPR) and intron 2 VNTR polymorphisms in 274 cases and 264 controls and the Ile425Val polymorphism in 65 cases and 64 controls. Moreover, the methylation of the internal promoter region was investigated in 35 cases and 14 controls.

Results

For 5-HTTLPR, we observed a trend towards an association of allele L (58.8% vs. 53.4%) with SIDS and significant results were observed after stratifying for age, season at death, and prone position. Nevertheless, when pooling all published data, a significant association of allele L with SIDS is confirmed (p: 0.001). For the intron 2 VNTR polymorphism, no significant differences were observed. After pooling, a significant accumulation of the rare allele 9 was observed in SIDS (2.1% vs. 0.6%; p: 0.018). For the Ile425Val polymorphism, no differences were observed.

Conclusion

We conclude that genetic variation at this gene might be of some importance in SIDS. Epigenetic analysis of the internal promoter, however, revealed no influence on the relative risk to succumb to SIDS.

Impact

This is the largest study published up to now on 5-HTT gene polymorphisms and SIDS.

Polymorphisms in the 5-HTT gene appear to contribute (although to a small degree) to the risk to die from SIDS.

There is no evidence that a methylation of the promoter region is of impact for the etiology of SIDS.
USP12 promotes breast cancer angiogenesis by maintaining midkine stability
Authors: Sheng Bin , Wei Zichao , Wu Xiaowei , Li Yi , Liu Zhihua
Published: November 2021

Deubiquitinases (DUBs) have important biological functions, but their roles in breast cancer metastasis are not completely clear. In this study, through screening a series of DUBs related to breast cancer distant metastasis-free survival (DMFS) in the Kaplan-Meier Plotter database, we identified ubiquitin-specific protease 12 (USP12) as a key deubiquitinating enzyme for breast cancer metastasis. We confirmed this via an orthotopic mouse lung metastasis model. We revealed that the DMFS of breast cancer patients with high USP12 was worse than that of others. Knockdown of USP12 decreased the lung metastasis ability of 4T1 cells, while USP12 overexpression increased the lung metastasis ability of these cells in vivo. Furthermore, our results showed that the supernatant from USP12-overexpressing breast cancer cells could promote angiogenesis according to human umbilical vein endothelial cell (HUVEC) migration and tube formation assays. Subsequently, we identified midkine (MDK) as one of its substrates. USP12 could directly interact with MDK, decrease its polyubiquitination and increase its protein stability in cells. Overexpression of MDK rescued the loss of angiogenesis ability mediated by knockdown of USP12 in breast cancer cells in vitro and in vivo. There was a strong positive relationship between USP12 and MDK protein expression in clinical breast cancer samples. Consistent with the pattern for USP12, high MDK expression predicted lower DMFS and overall survival (OS) in breast cancer. Collectively, our study identified that USP12 is responsible for deubiquitinating and stabilizing MDK and leads to metastasis by promoting angiogenesis. Therefore, the USP12–MDK axis could serve as a potential target for the therapeutic treatment of breast cancer metastasis.
Targeted therapy for LIMD1-deficient non-small cell lung cancer subtypes
Authors: Davidson Kathryn , Grevitt Paul , Contreras-Gerenas Maria F. , Bridge Katherine S. , Hermida Miguel , Shah Kunal M. , Mardakheh Faraz K. , Stubbs Mark , Burke Rosemary , Casado Pedro , Cutillas Pedro R. , Martin Sarah A. , Sharp Tyson V.
Published: November 2021

An early event in lung oncogenesis is loss of the tumour suppressor gene LIMD1 (LIM domains containing 1); this encodes a scaffold protein, which suppresses tumorigenesis via a number of different mechanisms. Approximately 45% of non-small cell lung cancers (NSCLC) are deficient in LIMD1, yet this subtype of NSCLC has been overlooked in preclinical and clinical investigations. Defining therapeutic targets in these LIMD1 loss-of-function patients is difficult due to a lack of ‘druggable’ targets, thus alternative approaches are required. To this end, we performed the first drug repurposing screen to identify compounds that confer synthetic lethality with LIMD1 loss in NSCLC cells. PF-477736 was shown to selectively target LIMD1-deficient cells in vitro through inhibition of multiple kinases, inducing cell death via apoptosis. Furthermore, PF-477736 was effective in treating LIMD1−/− tumours in subcutaneous xenograft models, with no significant effect in LIMD1+/+ cells. We have identified a novel drug tool with significant preclinical characterisation that serves as an excellent candidate to explore and define LIMD1-deficient cancers as a new therapeutic subgroup of critical unmet need.
Exploring DFT+U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling
Authors: Tavadze Pedram , Boucher Reese , Avendaño-Franco Guillermo , Kocan Keenan X. , Singh Sobhit , Dovale-Farelo Viviana , Ibarra-Hernández Wilfredo , Johnson Matthew B. , Mebane David S. , Romero Aldo H.
Published: November 2021

The density-functional theory is widely used to predict the physical properties of materials. However, it usually fails for strongly correlated materials. A popular solution is to use the Hubbard correction to treat strongly correlated electronic states. Unfortunately, the values of the Hubbard U and J parameters are initially unknown, and they can vary from one material to another. In this semi-empirical study, we explore the U and J parameter space of a group of iron-based compounds to simultaneously improve the prediction of physical properties (volume, magnetic moment, and bandgap). We used a Bayesian calibration assisted by Markov chain Monte Carlo sampling for three different exchange-correlation functionals (LDA, PBE, and PBEsol). We found that LDA requires the largest U correction. PBE has the smallest standard deviation and its U and J parameters are the most transferable to other iron-based compounds. Lastly, PBE predicts lattice parameters reasonably well without the Hubbard correction.
Visible-light driven regioselective synthesis, characterization and binding studies of 2-aroyl-3-methyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidines with DNA and BSA using biophysical and computational techniques
Authors: Aggarwal Ranjana , Jain Naman , Sharma Shilpa , Kumar Prince , Dubey Gyan Prakash , Chugh Heerak , Chandra Ramesh
Published: November 2021

In recent times, fused azaheterocycles emerged as impressive therapeutic agents. Binding studies of such azaheterocycles with biomolecules is an important subject for pharmaceutical and biochemical studies aiming at the design and development of new drugs. Fused heterocyclic scaffolds, such as thiazolopyrmidines have long been used in the pharmaceutical industry for the treatment of various diseases. In this study, we have accomplished a regioselective synthesis of 2-aroyl-3-methyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidines by the reaction of tetrahydropyrimidine-2(H)-thione with α-bromo-1,3-diketones, generated in situ from 1,3-diketones and NBS, using visible light as an inexpensive, green and renewable energy source under mild reaction conditions with wide-ranging substrate scope. The regioisomer was characterized unambiguously by 2D-NMR [1H-13C] HMBC and [1H-13C] HMQC spectroscopy. In silico toxicity data analysis showed the low toxicity risks of the synthesized compounds. Computational molecular docking studies were carried out to examine the interaction of thiazolo[3,2-a]pyrimidines with calf-thymus DNA (ct-DNA) and Bovine Serum Albumin (BSA). Moreover, different spectroscopic approaches viz. steady-state fluorescence, competitive displacement assay, UV–visible and circular dichroism (CD) along with viscosity measurements were employed to investigate the binding mechanisms of thiazolo[3,2-a]pyrimidines with DNA and BSA. The results thus obtained revealed that thiazolo[3,2-a]pyrimidines offer groove bindings with DNA and showed moderate bindings with BSA.
Sildenafil improves hippocampal brain injuries and restores neuronal development after neonatal hypoxia–ischemia in male rat pups
Authors: Yazdani Armin , Howidi Belal , Shi Meng Zhu , Tugarinov Nicol , Khoja Zehra , Wintermark Pia
Published: November 2021

The hippocampus is a fundamental structure of the brain that plays an important role in neurodevelopment and is very sensitive to hypoxia–ischemia (HI). The purpose of this study was to investigate the effects of sildenafil on neonatal hippocampal brain injuries resulting from HI, and on neuronal development in this context. HI was induced in male Long–Evans rat pups at postnatal day 10 (P10) by a left common carotid ligation followed by a 2-h exposure to 8% oxygen. Rat pups were randomized to vehicle or sildenafil given orally twice daily for 7 days starting 12 h after HI. Hematoxylin and eosin staining was performed at P30 to measure the surface of the hippocampus; immunohistochemistry was performed to stain neurons, oligodendrocytes, and glial cells in the hippocampus. Western blots of the hippocampus were performed at P12, P17, and P30 to study the expression of neuronal markers and mTOR pathway. HI caused significant hippocampal atrophy and a significant reduction of the number of mature neurons, and induced reactive astrocytosis and microgliosis in the hippocampus. HI increased apoptosis and caused significant dysregulation of the normal neuronal development program. Treatment with sildenafil preserved the gross morphology of the hippocampus, reverted the number of mature neurons to levels comparable to sham rats, significantly increased both the immature and mature oligodendrocytes, and significantly reduced the number of microglia and astrocytes. Sildenafil also decreased apoptosis and reestablished the normal progression of post-natal neuronal development. The PI3K/Akt/mTOR pathway, whose activity was decreased after HI in the hippocampus, and restored after sildenafil treatment, may be involved. Sildenafil may have both neuroprotective and neurorestorative properties in the neonatal hippocampus following HI.
Association between social psychological status and efavirenz and nevirapine plasma concentration among HIV patients in Kenya
Authors: Ngayo Musa Otieno , Oluka Margaret , Bulimo Wallace Dimbuson , Okalebo Faith Apolot
Published: November 2021

HIV-related stigma, lack of disclosure and social support are still hindrances to HIV testing, care, and prevention. We assessed the association of these social-psychological statuses with nevirapine (NVP) and efavirenz (EFV) plasma concentrations among HIV patients in Kenya. Blood samples were obtained from 254 and 312 consenting HIV patients on NVP- and EFV-based first-line antiretroviral therapy (ART), respectively, and a detailed structured questionnaire was administered. The ARV plasma concentration was measured by liquid chromatography-tandem mass spectrometry (LC–MS/MS). There were 68.1% and 65.4% of the patients on NVP and EFV, respectively, who did not feel guilty for being HIV positive. The disclosure rates were approximately 96.1% and 94.6% of patients on NVP and EFV, respectively. Approximately 85% and 78.2% of patients on NVP and EFV, respectively, received social support as much as needed. There were 54.3% and 14.2% compared to 31.7% and 4.5% patients on NVP and EFV, respectively, with supratherapeutic and suboptimal plasma concentrations. Multivariate quantile regression analysis showed that feeling guilty for being HIV positive was associated with increased 954 ng/mL NVP plasma concentrations (95% CI 192.7 to 2156.6; p = 0.014) but not associated with EFV plasma concentrations (adjusted β = 347.7, 95% CI = − 153.4 to 848.7; p = 0.173). Feeling worthless for being HIV positive was associated with increased NVP plasma concentrations (adjusted β = 852, 95% CI = 64.3 to 1639.7; p = 0.034) and not with EFV plasma concentrations (adjusted β = − 143.3, 95% CI = − 759.2 to 472.5; p = 0.647). Being certain of telling the primary sexual partner about HIV-positive status was associated with increased EFV plasma concentrations (adjusted β 363, 95% CI, 97.9 to 628.1; p = 0.007) but not with NVP plasma concentrations (adjusted β = 341.5, 95% CI = − 1357 to 2040; p = 0.692). Disclosing HIV status to neighbors was associated with increased NVP plasma concentrations (adjusted β = 1731, 95% CI = 376 to 3086; p = 0.012) but not with EFV plasma concentrations (adjusted β = − 251, 95% CI = − 1714.1 to 1212.1; p = 0.736). Obtaining transportation to the hospital whenever needed was associated with a reduction in NVP plasma concentrations (adjusted β = − 1143.3, 95% CI = − 1914.3 to − 372.4; p = 0.004) but not with EFV plasma concentrations (adjusted β = − 6.6, 95% CI = − 377.8 to 364.7; p = 0.972). HIV stigma, lack disclosure and inadequate social support are still experienced by HIV-infected patients in Kenya. A significant proportion of patients receiving the NVP-based regimen had supra- and subtherapeutic plasma concentrations compared to EFV. Social-psychological factors negatively impact adherence and are associated with increased NVP plasma concentration compared to EFV.
Integrative Bioinformatics approaches to therapeutic gene target selection in various cancers for Nitroglycerin
Authors: Chinnappan Jayaprakash , Ramu Akilandeswari , V. Vidhya Rajalakshmi , S. Akil Kavya
Published: November 2021

Integrative Bioinformatics analysis helps to explore various mechanisms of Nitroglycerin activity in different types of cancers and help predict target genes through which Nitroglycerin affect cancers. Many publicly available databases and tools were used for our study. First step in this study is identification of Interconnected Genes. Using Pubchem and SwissTargetPrediction Direct Target Genes (activator, inhibitor, agonist and suppressor) of Nitroglycerin were identified. PPI network was constructed to identify different types of cancers that the 12 direct target genes affected and the Closeness Coefficient of the direct target genes so identified. Pathway analysis was performed to ascertain biomolecules functions for the direct target genes using CluePedia App. Mutation Analysis revealed Mutated Genes and types of cancers that are affected by the mutated genes. While the PPI network construction revealed the types of cancer that are affected by 12 target genes this step reveals the types of cancers affected by mutated cancers only. Only mutated genes were chosen for further study. These mutated genes were input into STRING to perform NW Analysis. NW Analysis revealed Interconnected Genes within the mutated genes as identified above. Second Step in this study is to predict and identify Upregulated and Downregulated genes. Data Sets for the identified cancers from the above procedure were obtained from GEO Database. DEG Analysis on the above Data sets was performed to predict Upregulated and Downregulated genes. A comparison of interconnected genes identified in step 1 with Upregulated and Downregulated genes obtained in step 2 revealed Co-Expressed Genes among Interconnected Genes. NW Analysis using STRING was performed on Co-Expressed Genes to ascertain Closeness Coefficient of Co-Expressed genes. Gene Ontology was performed on Co-Expressed Genes to ascertain their Functions. Pathway Analysis was performed on Co-Expressed Genes to identify the Types of Cancers that are influenced by co-expressed genes. The four types of cancers identified in Mutation analysis in step 1 were the same as the ones that were identified in this pathway analysis. This further corroborates the 4 types of cancers identified in Mutation analysis. Survival Analysis was done on the co-expressed genes as identified above using Survexpress. BIOMARKERS for Nitroglycerin were identified for four types of cancers through Survival Analysis. The four types of cancers are Bladder cancer, Endometrial cancer, Melanoma and Non-small cell lung cancer.
Rotavirus spike protein ΔVP8* as a novel carrier protein for conjugate vaccine platform with demonstrated antigenic potential for use as bivalent vaccine
Authors: Park Wook-Jin , Yoon Yeon-Kyung , Park Ji-Sun , Pansuriya Ruchirkumar , Seok Yeong-Jae , Ganapathy Ravi
Published: November 2021

Conjugate vaccine platform is a promising strategy to overcome the poor immunogenicity of bacterial polysaccharide antigens in infants and children. A carrier protein in conjugate vaccines works not only as an immune stimulator to polysaccharide, but also as an immunogen; with the latter generally not considered as a measured outcome in real world. Here, we probed the potential of a conjugate vaccine platform to induce enhanced immunogenicity of a truncated rotavirus spike protein ΔVP8*. ΔVP8* was covalently conjugated to Vi capsular polysaccharide (Vi) of Salmonella Typhi to develop a bivalent vaccine, termed Vi-ΔVP8*. Our results demonstrated that the Vi-ΔVP8* vaccine can induce specific immune responses against both antigens in immunized mice. The conjugate vaccine elicits high antibody titers and functional antibodies against S. Typhi and Rotavirus (RV) when compared to immunization with a single antigen. Together, these results indicate that Vi-ΔVP8* is a potent and immunogenic vaccine candidate, thus strengthening the potential of conjugate vaccine platform with enhanced immune responses to carrier protein, including ΔVP8*.
Diversification and post-glacial range expansion of giant North American camel spiders in genus Eremocosta (Solifugae: Eremobatidae)
Authors: Santibáñez-López Carlos E. , Cushing Paula E. , Powell Alexsis M. , Graham Matthew R.
Published: November 2021

Species of camel spiders in the family Eremobatidae are an important component of arthropod communities in arid ecosystems throughout North America. Recently, research demonstrated that the evolutionary history and biogeography of the family are poorly understood. Herein we explore the biogeographic history of this group of arachnids using genome-wide single nucleotide polymorphism (SNP) data, morphology, and distribution modelling to study the eremobatid genusEremocosta, which contains exceptionally large species distributed throughout North American deserts. Relationships among sampled species were resolved with strong support and they appear to have diversified within distinct desert regions along an east-to-west progression beginning in the Chihuahuan Desert. The unexpected phylogenetic position of some samples suggests that the genus may contain additional, morphologically cryptic species. Geometric morphometric analyses reveal a largely conserved cheliceral morphology amongEremocostaspp. Phylogeographic analyses indicate that the distribution ofE. titaniawas substantially reduced during the last glacial maximum and the species only recently colonized much of the Mojave Desert. Results from this study underscore the power of genome-wide data for unlocking the genetic potential of museum specimens, which is especially promising for organisms like camel spiders that are notoriously difficult to collect.
Perforated flexible catheters improve joint fluid aspiration in shoulder cadavers
Authors: Hecker Andreas , Waltenspül Manuel , Ernstbrunner Lukas , Sutter Reto , Wieser Karl , Bouaicha Samy
Published: November 2021

A fluoroscopically controlled anterior approach in supine position is often used for arthrocentesis of the shoulder, but can lead to a high rate of dry aspirations. The aim of this study was to compare the aspiration performance of rigid needles and flexible catheters used with this approach. We hypothesized that a flexible catheter can significantly improve the amount of the obtained fluid. The glenohumeral joint of ten human cadaveric shoulder specimens were sequentially filled with 5, 10, 20 and 30 mL of contrast agent. For each volume the maximum aspirated amount of contrast agent with 4 different aspiration devices (20 gauge needle, 16 gauge needle, 16 gauge flexible catheter and 16 gauge perforated flexible catheter) were compared. All aspirations were done in supine cadaver position from anterior under fluoroscopic control. The aspirated amount of fluid was significantly higher using the 16 gauge perforated flexible catheter (p = 0.002–0.028) compared with all other devices when 5, 10 and 20 mL of contrast agent were in the joint. This perforated flexible catheter aspirated 80–96% of the available fluid while the standard 20 gauge needle aspirated 40–60%. Using a 16 gauge perforated flexible catheter in a supine anterior arthrocentesis technique results in aspiration of most of the fluid in human cadaveric shoulder specimens, while standard needles aspirate only about 50% of it. This can be clinically relevant when there is very little synovial fluid available and might reduce the number of insufficient aspirations.
Implication of thyroid function in periodontitis: a nationwide population-based study
Authors: Song Eyun , Park Min Jeong , Kim Jung A. , Roh Eun , Yu Ji Hee , Kim Nam Hoon , Yoo Hye Jin , Seo Ji A. , Kim Sin Gon , Kim Nan Hee , Baik Sei Hyun , Choi Kyung Mook
Published: November 2021

Possible links between periodontitis and various cardiometabolic and autoimmune diseases have been advocated on the basis of chronic inflammation or oxidative stress. However, the association between periodontitis and thyroid dysfunction is under-researched. Participants without previous thyroid disease or ongoing thyroid-related medication were included from a nationwide population-level survey. Participants were categorized into tertiles of thyroid stimulating hormone (TSH) levels (first tertile < 1.76 mIU/L; second tertile 1.76–2.83 mIU/L; third tertile > 2.83 mIU/L), and periodontal condition was assessed using the Community Periodontal Index. Of the total of 5468 participants, 1423 had periodontitis (26%). A significant difference in the weighted prevalence of periodontitis according to TSH tertiles was observed, with the highest prevalence in the first tertile (26.5%) and the lowest prevalence in the third tertile (20.9%, p = 0.003). Subjects in the first TSH tertile had higher odds for periodontitis than those in the third tertile (OR 1.36, 95% CI 1.10–1.68; p for trend = 0.005) after adjusting for covariates. This association was consistent across subgroups and within sensitivity analyses among subjects without specific factors affecting thyroid function or diseases reported to be related to periodontitis. The present study demonstrated that low TSH levels were associated with significantly higher odds for periodontitis.
Robust seed germination prediction using deep learning and RGB image data
Authors: Nehoshtan Yuval , Carmon Elad , Yaniv Omer , Ayal Sharon , Rotem Or
Published: November 2021

Achieving seed germination quality standards poses a real challenge to seed companies as they are compelled to abide by strict certification rules, while having only partial seed separation solutions at their disposal. This discrepancy results with wasteful disqualification of seed lots holding considerable amounts of good seeds and further translates to financial losses and supply chain insecurity. Here, we present the first-ever generic germination prediction technology that is based on deep learning and RGB image data and facilitates seed classification by seed germinability and usability, two facets of germination fate. We show technology competence to render dozens of disqualified seed lots of seven vegetable crops, representing different genetics and production pipelines, industrially appropriate, and to adequately classify lots by utilizing available crop-level image data, instead of lot-specific data. These achievements constitute a major milestone in the deployment of this technology for industrial seed sorting by germination fate for multiple crops.
Hydrometallurgical process development to recycle valuable metals from spent SCR deNOX catalyst
Authors: Jeon Jong Hyuk , Cueva Sola Ana Belen , Lee Jin-Young , Jyothi Rajesh Kumar
Published: November 2021

Spent catalyst, containing vanadium and tungsten oxide in a TiO2 glass fiber matrix, pose a risk of environmental contamination due to the high toxicity of its metal oxides if leached into the soil when disposed in landfills. Due to the increasing demand of metals and the continuous depletion of primary resources there is an growing necessity for recycling and reprocessing of spent catalysts and other secondary metal sources for environmental and economical reasons. Study of spent SCR catalyst soda roasting process with dissolved NaOH compared with the usual NaOH dry roasting and its influence in the subsequent water leaching. After optimization, the ideal parameters are roasting using a 0.4 ratio of NaOH/spent SCR catalyst in solution for 2 h at 973 K and de-ionized water leaching for 30 min, at 298 K with a pulp density of 30%. The research results show an important reduction of the roasting temperature and leaching time during the processing of spent SCR catalyst obtaining a 95.4% W and 80.2% V leaching efficiency liquor. Silicon compounds are one of the main impurities leached alongside the valuable metals and in this work, the silicon compounds leached are reduced significantly with the aim of avoiding the de-silication post-processing of the leach liquor. The main advantage of the proposed process is the increase of the leaching efficiency of vanadium and tungsten with a minimization of silicon impurities in a shorter time regardless of the leaching temperature.
Measurement of various intensities of physical activities and categorization of “Locomotive” and “Household” activities provide a subject-specific detailed assessment
Authors: Inaba Ryuichiro , Yamakawa Satoshi , Kanamoto Takashi , Ukimoto Sho , Sato Seira , Ogasawara Issei , Konda Shoji , Yokoyama Teruki , Ueda Yuko , Onuki Takashi , Nakata Ken
Published: November 2021

This study aimed to compare the physical activity (PA) measured by a wearable sensor device (WSD) and the step count measurement, and to investigate the association between PAs and lifestyle. Data of 301 participants were collected from March 2019 to March 2021. Step counts, sedentary behavior, performance time of light/moderate/vigorous PA, METs × hour of “Locomotive” and “Household” categorized activities, and energy expenditure (EE) were measured by the WSD, respectively. Furthermore, the participants were classified into student, standing worker, and sitting worker groups. Data were analyzed using the Steel–Dwass and Pearson correlation coefficient tests. The correlation between the performance time of each PA and step count was weak, except for moderate PA. “Household” EE and step count also had a weak correlation. In the comparison of lifestyle, there was a significant difference in the mean performance time of each type of PA between the groups. Additionally, the standing worker and sitting worker groups had a significant difference in METs × hour of "Household" activities, indicating that the difference between the occupations is reflected in “Household” activities. The WSD measurement can be used to evaluate detailed individual PA, whereas the step count measurement showed weakness in the PA estimation.
PLZF and its fusion proteins are pomalidomide-dependent CRBN neosubstrates
Authors: Shimizu Nobuyuki , Asatsuma-Okumura Tomoko , Yamamoto Junichi , Yamaguchi Yuki , Handa Hiroshi , Ito Takumi
Published: November 2021

Pomalidomide and lenalidomide are immunomodulatory agents that were derived from thalidomide. Cereblon (CRBN) is a common direct target of thalidomide and related compounds and works as a Cullin Ring 4 E3 ubiquitin ligase (CRL4) with DDB1, CUL4, and ROC1. The substrate specificity of CRL4CRBN is modulated by thalidomide-related compounds. While lenalidomide is approved for the treatment of several diseases including multiple myeloma, 5q- syndrome, mantle cell lymphoma, and follicular lymphoma, pomalidomide is approved only for the treatment of lenalidomide-resistant multiple myeloma. Here we show that PLZF/ZBTB16 and its fusion proteins are pomalidomide-dependent neosubstrates of CRL4CRBN. PLZF joins to RARα or potentially other partner genes, and the translocation causes leukemias, such as acute promyelocytic leukemia and T-cell acute lymphoblastic leukemia. We demonstrate that pomalidomide treatment induces PLZF-RARα degradation, resulting in antiproliferation of leukemic cells expressing PLZF-RARα. This study highlights a potential therapeutic role of pomalidomide as a degrader of leukemogenic fusion proteins.
A novel AIE-active camphor-based fluorescent probe for simultaneous detection of Al3+ and Zn2+ at dual channels in living cells and zebrafish
Authors: Gong Shuai , Zhang Yan , Qin Ahui , Li Mingxin , Gao Yu , Zhang Chenglong , Song Jie , Xu Xu , Wang Zhonglong , Wang Shifa
Published: November 2021

A dual-functional probe PSH with an AIE feature was used to detect Al3+ and Zn2+ in HeLa cells and zebrafish by bioimaging.
Layer-by-layer coating and chemical cross-linking of multilayer polysaccharides on silica for mixed-mode HPLC application
Authors: Chu Zhanying , Zhu Manman , Zhang Weibing , Zhao Yang , Gong Xiaoyun , Jiang You , Wu Liqing , Zhai Rui , Dai Xinhua , Fang Xiang
Published: November 2021

A novel hyaluronan acid/chitosan–silica composite was controllably fabricated, and it exhibited excellent performance in HILIC/IEC mixed-mode.
Rational engineering ofLuminiphilus syltensis(R)-selective amine transaminase for the acceptance of bulky substrates
Authors: Konia Eleni , Chatzicharalampous Konstantinos , Drakonaki Athina , Muenke Cornelia , Ermler Ulrich , Tsiotis Georgios , Pavlidis Ioannis V.
Published: November 2021

The rationally designed variant V37A ofL. syltensis(R)-selective transaminase exhibits improved activity towards bulkier substrates compared to the wild-type.
Triazine-wingtips accelerated NHC-Pd catalysed carbonylative Sonogashira cross-coupling reaction
Authors: Zhang Kan , Yao Yanxiu , Sun Wenjin , Wen Rui , Wang Yanyan , Sun Huaming , Zhang Weiqiang , Zhang Guofang , Gao Ziwei
Published: November 2021

The transmetalation as the rate-limiting step was effectively accelerated by newly designed N-heterocyclic carbenes with triazine wingtips (T-NHC).
Electron transfer phase transition and oxidization process in NaxCo0.44Mn0.56[Fe(CN)6]0.90 (0.00 ≤ x ≤ 1.60)
Authors: Iwaizumi Hiroki , Shibata Takayuki , Moritomo Yutaka
Published: November 2021

The electron transfer phase transition in Prussian blue analogues reverses the order of oxidation among Fe, Mn, and Co.
Electrochemical oxidative Z-selective C(sp2)–H chlorination of acrylamides
Authors: Harnedy James , Hareram Mishra Deepak , Tizzard Graham J. , Coles Simon J. , Morrill Louis C.
Published: November 2021

A catalyst and organic oxidant free electrochemical method for the oxidative Z-selective C(sp2)–H chlorination of acrylamides has been developed.
Anion exchange strategy to improve electrocatalytic hydrogen evolution performances in cationic metal–organic frameworks
Authors: Li Bei , Lei Qingjuan , Qin Tong , Zhang Xiaoxian , Zhao Dongsheng , Wang Feng , Li Wenqian , Zhang Zhengguo , Fan Liming
Published: November 2021

Through an anion exchange strategy, the post-synthetic cationic metal–organic frameworks present better electrocatalytic performances during the hydrogen evolution reaction process than the pristine one.
Effects of bipolarons on oxidation states, and the electronic and optical properties of W18O49
Authors: Migas D. B. , Filonov A. B. , Skorodumova N. V.
Published: November 2021

Bipolarons in W18O49 lead to different oxidation states of W atoms (W6+ and W5+) and the co-existence of localized and delocalized electrons.
Multidimensional redox potential/pKa coupling in multicopper oxidases from molecular dynamics: implications for the proton transfer mechanism
Authors: Santo Anderson A. E. , Lazaroti Vitor Hugo R. , Feliciano Gustavo T.
Published: November 2021

Bilirubin oxidases (BOD) are metalloenzymes that catalyze the conversion of O2 and bilirubin to biliverdin and water in the metabolism of chlorophyll and porphyrin.
Mixed fatty acid-phospholipid protocell networks
Authors: Põldsalu Inga , Köksal Elif Senem , Gözen Irep
Published: November 2021

This study shows the autonomous transformation of fatty acid-containing lipid reservoirs to model protocell networks on solid substrates.
Integrating trace amounts of Pd nanoparticles into Mo3N2 nanobelts for an improved hydrogen evolution reaction
Authors: Raheem Saheed Abiola , Shen Hanghia , Thomas Tiju , Yang Minghui
Published: November 2021

Significant efforts have been directed towards the use of transition metal nitrides as electrocatalysts for the hydrogen evolution reaction (HER).
Printing thermoelectric inks toward next-generation energy and thermal devices
Authors: Zeng Minxiang , Zavanelli Duncan , Chen Jiahao , Saeidi-Javash Mortaza , Du Yipu , LeBlanc Saniya , Snyder G. Jeffrey , Zhang Yanliang
Published: November 2021

This review provides a framework for printing thermoelectric materials and devices by discussing recent progress in thermoelectric ink chemistry and formulations, printing methods, flexible/conformable device designs, and energy/thermal applications.
Polymer nano-systems for the encapsulation and delivery of active biomacromolecular therapeutic agents
Authors: Machtakova Marina , Thérien-Aubin Héloïse , Landfester Katharina
Published: November 2021

The ability of biomacromolecular therapeutic agents to treat various diseases is limited by the challenges faced in their delivery. Here we review how the design of polymer-based nanosystems can provide modular solutions to face those delivery issues.
The diverse functions of isocyanides in phosphorescent metal complexes
Authors: Sutton Gregory D. , Olumba Morris E. , Nguyen Yennie H. , Teets Thomas S.
Published: November 2021

This Perspective describes the diverse roles played by isocyanides in supporting photoluminescent transition metal complexes.
Polyoxometalates-doped TiO2/Ag hybrid heterojunction: removal of multiple pollutants and mechanism investigation
Authors: Zhao XinYu , Wang Xin , Zhao Yingnan , Sun Huiying , Tan Huaqiao , Qiu Tianyu , Zhao Zhao , Zhao Xia , Cheng Sihang , Li Yangguang
Published: November 2021

A hybrid heterojunction PMV-TiO2/Agx constructed by S-scheme heterojunction and Schottky junction were prepared, which exhibits photocatalytic activity for removal of halogenated phenols, tetracycline, K2Cr2O7, MO etc.
Iodine-catalyzed, highly atom-economic synthesis of 9-sulfenylphenanthrenes and polycyclic heteroaromatics in water
Authors: Mukherjee Nilanjana , Chatterjee Tanmay
Published: November 2021

An iodine-catalyzed, highly atom-economic and scalable synthetic method has been developed for the oxidative annulation of 2-alkynyl biaryls with disulfides in water to access a wide variety of 9-sulfenylphenanthrenes and polycyclic heteroaromatics.
Research progress on the preparation and application of biomass derived methyl levulinate
Authors: Wu Gang , Shen Chen , Liu Shasha , Huang Yong , Zhang Shu , Zhang Hong
Published: November 2021

The research works on preparation and application of biomass derived methyl levulinate were summarized. The problems, corresponding solutions, and future research directions in this field were proposed.
Synthesis of color-tunable tannic acid-based carbon dots for multicolor/white light-emitting diodes
Authors: Li Yan , Liu Can , An Yulong , Chen Menglin , Zheng Yunwu , Tian Hao , Shi Rui , He Xiahong , Lin Xu
Published: November 2021

Multicolor luminescent carbon dots were successfully prepared by a solvothermal method using tannic acid (TA) and phthalaldehyde.
Paintable proteins: biofunctional coatings via covalent incorporation of proteins into a polymer network
Authors: Bartlett Mairead E. , Shuler Scott A. , Rose Daniel J. , Gilbert Lindsey M. , Hegab Rachel A. , Lawton Thomas J. , Messersmith Reid E.
Published: November 2021

Attaching proteins to surfaces while maintaining bioactivity is a promising avenue for developing new functional materials.
Minisci aroylation of N-heterocycles using choline persulfate in water under mild conditions
Authors: Laha Joydev K. , Tinwala Ummehani , Hunjan Mandeep Kaur
Published: November 2021

A modified Minisci aroylation of isoquinoline using arylglyoxylic acids in the presence of choline persulfate or pre-composition (choline acetate and K2S2O8) in water at ambient temperature affording aroylated isoquinolines is reported.
Targeting mechanism for SARS-CoV-2 in silico: interaction and key groups of TMPRSS2 toward four potential drugs
Authors: Zhao Xiaoyu , Luo Song , Huang Kaifang , Xiong Danyang , Zhang John Z. H. , Duan Lili
Published: November 2021

The binding affinity of camostat, gabexate, and nafamostat to TMPRSS2 shows great advantages, where nafamostat presents two reasonable binding conformations (forward and reverse directions) and the forward one is more stable than the reverse.
C-4 benzofuranylation of pyrazolones by a metal-free catalyzed indirect heteroarylation strategy
Authors: Zhang Wande , Nawaz Shah , Huang Yue , Gong Wenjing , Wei Xingfu , Qu Jingping , Wang Baomin
Published: November 2021

A metal-free catalyzed indirect heteroarylation of pyrazolones with 2-(3-hydroxy-3,3-diarylprop-1-yn-1-yl)phenols has been developed, delivering a wide range of novel 4-benzofuran-substituted pyrazolone derivatives.
Instabilities in freely expanding sheets of associating viscoelastic fluids
Authors: Arora Srishti , Louhichi Ameur , Vlassopoulos Dimitris , Ligoure Christian , Ramos Laurence
Published: November 2021

We use the impact of drops on a small solid target as a tool to investigate the behavior of viscoelastic fluids under extreme deformation rates.
Electrochemical construction of functional polymers and their application advances in lithium batteries
Authors: Zhang Chen-Xing , Mei Shi-Lin , Chen Xian-He , Liu Er-Tai , Yao Chang-Jiang
Published: November 2021

Electrochemical methods are commonly used in the preparation of functional polymers on flexible conducting substrates to design and fabricate advanced electronic devices.
“You Say Severe, I Say Mild”: Toward an Empirical Classification of Dysarthria Severity
Authors: Stipancic Kaila L. , Palmer Kira M. , Rowe Hannah P. , Yunusova Yana , Berry James D. , Green Jordan R.
Published: November 2021

Purpose:

The main purpose of this study was to create an empirical classification system for speech severity in patients with dysarthria secondary to amyotrophic lateral sclerosis (ALS) by exploring the reliability and validity of speech-language pathologists' (SLPs') ratings of dysarthric speech.

Method:

Ten SLPs listened to speech samples from 52 speakers with ALS and 20 healthy control speakers. SLPs were asked to rate the speech severity of the speakers using five response options: normal, mild, moderate, severe, and profound. Four severity-surrogate measures were also calculated: SLPs transcribed the speech samples for the calculation of speech intelligibility and rated the effort it took to understand the speakers on a visual analog scale. In addition, speaking rate and intelligible speaking rate were calculated for each speaker. Intrarater and interrater reliability were calculated for each measure. We explored the validity of clinician-based severity ratings by comparing them to the severity-surrogate measures. Receiver operating characteristic (ROC) curves were conducted to create optimal cutoff points for defining dysarthria severity categories.

Results:

Intrarater and interrater reliability for the clinician-based severity ratings were excellent and were comparable to reliability for the severity-surrogate measures explored. Clinician severity ratings were strongly associated with all severity-surrogate measures, suggesting strong construct validity. We also provided a range of values for each severity-surrogate measure within each severity category based on the cutoff points obtained from the ROC analyses.

Conclusions:

Clinician severity ratings of dysarthric speech are reliable and valid. We discuss the underlying challenges that arise when selecting a stratification measure and offer recommendations for a classification scheme when stratifying patients and research participants into speech severity categories.
Comparisons of transformer thermal behaviours between conventional disc type and S disc type windings
Authors: Zhang Xiang , Liu Qiang , Wang Zhongdong , Wilkinson Mark
Published: November 2021

Controlling the highest temperature in the windings is the primary objective of transformer thermal design to guarantee designed transformer thermal life expectancy. Temperature rise test results of a transformer with computational fluid dynamics (CFD) modelling results are compared here to determine typical OD and ON flow rates in the transformer. It then presents CFD studies that compare the thermal behaviour of two types of disc‐type windings. The S disc‐type winding refers to one that has only axial cooling ducts and physically resembles a layer‐type winding. The other type is of conventional disc‐type winding. The S disc‐type winding shows robust thermal performance due to its quasi‐uniform flow distributions in the axial cooling ducts, irrespective of the total oil flow rates or the cooling modes. In contrast, the conventional disc‐type windings converted from the S disc‐type winding experience uneven flow distributions in the radial cooling ducts that can cause localised overheating. Control of oil flow distribution in conventional disc‐type windings is found critical for its thermal design. Heat transfer for the S disc‐type winding is further enhanced by axially partitioning the winding into multiple sections, which is optimized based on theoretical analyses and is then verified by CFD modelling.
The ionised and molecular mass of post-common-envelope planetary nebulae
Authors: Santander-García M. , Jones D. , Alcolea J. , Bujarrabal V. , Wesson R.
Published: November 2021

Context. Most planetary nebulae (PNe) show beautiful, axisymmetric morphologies despite their progenitor stars being essentially spherical. Close binarity is widely invoked to help eject an axisymmetric nebula, after a brief phase of engulfment of the secondary within the envelope of the asymptotic giant branch (AGB) star, known as the common envelope (CE). The evolution of the AGB would thus be interrupted abruptly, with its still quite massive envelope being rapidly ejected to form the PN, which a priori would be more massive than the PN coming from a single version of the same star.

Aims. We aim to test this hypothesis by investigating the ionised and molecular masses of a sample consisting of 21 post-CE PNe, roughly one-fifth of the known total population of these objects, and to compare them to a large sample of ‘regular’ (i.e. not known to arise from close-binary systems) PNe.

Methods. We gathered data on the ionised and molecular content of our sample from the literature, and carried out molecular observations of several previously unobserved objects. We derived the ionised and molecular masses of the sample by means of a systematic approach, using tabulated, dereddened Hβ fluxes to find the ionised mass, and 12CO J = 2–1 and J = 3–2 observations to estimate the molecular mass.

Results. There is a general lack of molecular content in post-CE PNe. Our observations only reveal molecule-rich gas around NGC 6778, which is distributed into a low-mass, expanding equatorial ring lying beyond the ionised broken ring previously observed in this nebula. The only two other objects showing molecular content (from the literature) are NGC 2346 and NGC 7293. Once we derive the ionised and molecular masses, we find that post-CE PNe arising from single-degenerate (SD) systems are just as massive, on average, as members of the ‘regular’ PNe sample, whereas post-CE PNe arising from double-degenerate systems are considerably more massive, and show substantially higher linear momentum and kinetic energy than SD systems and ‘regular’ PNe. Reconstruction of the CE of four objects, for which a wealth of data on the nebulae and complete orbital parameters are available, further suggests that the mass of SD nebulae actually amounts to a very small fraction of the envelope of their progenitor stars. This leads to the uncomfortable questions of where the rest of the envelope is and why we cannot detect it in the stars’ vicinity, raising serious doubts about our understanding of these intriguing objects.
Synthesis and thermal conductivity of functionalized biocarbon-Fe3O4 nanocomposite-based green nanofluid for heat transfer applications
Authors: Barai Divya , Parbat Sohan , Bhanvase Bharat
Published: November 2021

Bio-based graphitic carbon was synthesized in this work by one-step carbonization of bamboo waste at low temperature. This bio-based carbon was then functionalized in order to decorated it with Fe3O4 nanoparticles. The functionalized biocarbon-Fe3O4 (f-biocarbon-Fe3O4) nanocomposite was synthesized using ultrasound-assisted coprecipitation method which was then confirmed by scanning electron microscopy, Fourier transform infrared spectroscopy, and X-ray diffractometry. Water-based nanofluid was prepared using the synthesized f-biocarbon-Fe3O4 nanocomposite particles. Thermal conductivity of this nanofluid was analyzed at different concentrations and temperatures. A thermal conductivity enhancement of almost 80% was recorded at 35°C for nanofluid containing 0.1 vol.% of f-biocarbon-Fe3O4 nanocomposite particles compared to water. Also, empirical model is developed for prediction of thermal conductivity as a function of concentration and temperature of bamboo waste-derived f-biocarbon-Fe3O4 nanocomposite-based green nanofluid.