bluuebunny/crossref_metadata_2025_split huggingface dataset:
Utilization of 29Si MAS-NMR to Understand Solid State Diffusion in Energy Storage Materials
Authors: Dogan Fulya , Key Baris , Vaughey John T. 
Published: February 2022

The properties of many solid-state materials arise from critical interfaces tied to the structure, morphology, and composition of the materials under study. For many materials, identifying components that may be invisible to diffraction techniques or other bulk sensitive techniques (i.e. inductively coupled plasma (ICP)), may cause important information to be overlooked. These can include grain boundary phases, nanoscale coatings, amorphous layers, or second phases that influence the materials environment. In this short review, the use of 29Si MAS NMR as a local probe to detect silicon-containing phases in complex energy storage systems is explored with a focus is on silicon-containing materials and silicon electrodes. Examples highlighting the utility of 29Si MAS NMR include 1) examining copper diffusion into silicon as a method to create 3 dimensional electrodes, 2) using Mg(II) electrolyte additives to create in-situ nanoscale silicide coatings to inhibit low voltage parasitic side reactions and extend calendar life, and 3) studying the lithiation reactions of passivated silicon on different time scales.
Multiplexed Anodic Stripping Voltammetry Detection of Heavy Metals in Water Using Nanocomposites Modified Screen-Printed Electrodes Integrated With a 3D-Printed Flow Cell
Authors: Zhao Guo , Tran Thien-Toan , Modha Sidharth , Sedki Mohammed , Myung Nosang V. , Jassby David , Mulchandani Ashok 
Published: February 2022

In this study, we present multiplexed anodic stripping voltammetry (ASV) detection of heavy metal ions (HMIs)—As(III), Cd(II), and Pb(II)—using a homemade electrochemical cell consisting of dual working, reference and counter screen-printed electrodes (SPE) on polyimide substrate integrated with a 3D-printed flow cell. Working and counter electrodes were fabricated by the screen-printing of graphite paste while the Ag/AgCl paste was screen-printed as a reference electrode (Ag/AgCl quasi-reference electrode). The working electrodes were modified with (BiO)2CO3-reduced graphene oxide (rGO)-Nafion [(BiO)2CO3-rGO-Nafion] and Fe3O4 magnetic nanoparticles (Fe3O4MNPs) decorated Au nanoparticles (AuNPs)-ionic liquid (IL) (Fe3O4-Au-IL) nanocomposites separately to enhance HMIs sensing. Electrochemical detection was achieved using square wave ASV technique. The desired structure of the flow electrochemical cell was optimized by the computational fluid dynamic (CFD). Different experimental parameters for stripping analysis of HMIs were optimized including deposition time, deposition potential and flow rate. The linear range of calibration curves with the sensing nanocomposites modified SPE for the three metal ions was from 0–50 μg/L. The limits of detection (S/N = 3) were estimated to be 2.4 μg/L for As(III), 1.2 μg/L for Pb(II) and 0.8 μg/L for Cd(II). Furthermore, the homemade flow anodic stripping sensor platform was used to detect HMIs in simulated river water with a 95–101% recovery, indicating high selectivity and accuracy and great potential for applicability even in complex matrices.
An Enhanced Hybrid Screening Approach to Identify Potent Inhibitors for the SARS-CoV-2 Main Protease From the NCI Compound Library
Authors: Li Shuhua G. , Yang Kai S. , Blankenship Lauren R. , Cho Chia-Chuan D. , Xu Shiqing , Wang Hongbin , Liu Wenshe Ray 
Published: February 2022

The emergence and rapid spread of SARS-CoV-2, the pathogen of COVID-19, have caused a worldwide public health crisis. The SARS-CoV-2 main protease (Mpro) is an essential enzyme for the virus and therefore an appealing target for the development of antivirals to treat COVID-19 patients. Recently, many in silico screenings have been performed against the main protease to discover novel hits. However, the actual hit rate of virtual screening is often low, and most of the predicted compounds are false positive hits. In this study, we developed a refined virtual screening strategy that incorporated molecular docking and post-docking filtering based on parameters including molecular weight and surface area, aiming to achieve predictions with fewer false positive hits. We applied this strategy to the NCI library containing 284,176 compounds against Mpro. In vitro potency analyses validated several potent inhibitors and thus confirmed the feasibility of our virtual screening strategy. Overall, The study resulted in several potent hit Mpro inhibitors, in which two inhibitors have IC50 values below 1 μM, that are worth being further optimized and explored. Meanwhile, the refined virtual screen strategy is also applicable to improve general in silico screening hit rates and is useful to accelerate drug discovery for treating COVID-19 and other viral infections.
Differences in the Gut Microbiota Composition and Metabolites Associated With Feeding Intolerance in VLBW Infants With a Gestational Age of ≤ 30 Weeks: A Pilot Study
Authors: Liu Xiao-Chen , Sun Qian , Ji Yan-Chun , Fu Li-Zhen , Wang Zheng-Li , He Yu , Li Lu-Quan 
Published: February 2022

ObjectiveTo explore the main variations in gut microbiota compositions, short-chain fatty acids (SCFAs) concentrations and autoinducer-2 (AI-2) levels in very-low-birth-weight (VLBW) infants with feeding intolerance (FI).MethodsTwenty-seven VLBW infants with gestational ages of ≤30 weeks were divided into the FI group (n=14) and feeding tolerance (FT) group (n=13). The gut microbiota composition and SCFAs concentrations and AI-2 levels in feces were detected at 2 and 4 weeks after birth.ResultsThere was no difference in alpha diversity between the two groups at 2 and 4 weeks after birth (P&gt;0.05). Although the Chao index decreased (P&lt;0.05), there was no difference in the Shannon index from 2 weeks to 4 weeks in either the FI or FT group (P&gt;0.05). Additionally, there was no difference in beta diversity between the FI and FT groups at 2 weeks (P&gt;0.05), but there was a significant difference in beta diversity between the two groups at 4 weeks (P&lt;0.05) and a large difference from 2 weeks to 4 weeks in both the FI and FT groups (P&lt;0.05). Furthermore, the composition of the microbiota at 4 weeks was significantly different from that at 2 weeks in the FI group (P&lt;0.05). The Veillonella abundance was lower at 4 weeks in the FI group (P&lt;0.05), but there were no differences in the compositions of the other main microbes between the two groups (P&gt;0.05). Proteobacteria and Firmicutes were dominant in both the FI and FT groups. The concentrations of propanoic, valeric and hexanoic acids were lower in the FI group at 2 weeks, and the levels of isobutyric and valeric acids were lower at 4 weeks after birth (P&lt;0.05). The areas under the curves (AUCs) of propanoic, butanoic and valeric acids in predicting FI were 0.878, 0.816 and 0.744, respectively. Compared with that in the FT group, the relative bioluminescence of AI-2 was lower in the FI group at 2 weeks (P&lt;0.05), and the AUC was 0.736.ConclusionsThe main composition of the microbiota was not obviously different in infants with FI. Some SCFAs and AI-2 have moderate value in predicting FI.
Geometric Distribution and Earthquake Rupture Characteristics of the Northern Anqiu–Juxian Fault in the Tan–Lu Fault Zone, Eastern China
Authors: Ji Haomin , Li An , Zhang Shimin , Zhang Ji , Liu Qing 
Published: February 2022

The Northern Anqiu–Juxian Fault (NAJF) is one of the most active faults in the Tan-Lu Fault Zone (TLFZ), which produced the Anqiu M 7 earthquake in 70 BC. However, there is no clear understanding of the surface rupture caused by this historical earthquake. In this study, we determined the earthquake rupture characteristics of the NAJF based on high-precision surveying, geophysical exploration and drilling profiles. Based on an analysis of 87 horizontal offsets of gullies, we estimated a characteristic offset of ∼ 5 m along the NAJF for a rupture length about 130 km. Geophysical exploration results revealed a shallow geometric distribution of stepovers in the NAJF. We concluded that the ∼ 5 m offset and the rupture length of about 130 km are both in agreement with an empirical relationship among the magnitude, offset, and rupture length and imply that the ∼ 1 km wide stepover could not have terminated ruptures in the Anqiu M 7 earthquake. The relationship among the coseismic offset, magnitude, and surface rupture length of a strike-slip fault show that the 70 BC Anqiu earthquake was more likely to have had a magnitude of M ∼ 7.5.
Central Compartment Lymph Nodes Have Distinct Metastatic Patterns in Different Age Groups
Authors: Yan Caigu , He Xianghui , Chen Zuoyu , Wang Yizeng 
Published: February 2022

Background and PurposeCentral compartment lymph node metastasis (CLNM) is a manifestation of tumor aggressiveness and an indicator of tumor prognosis. The purpose of this study was to construct a nomogram for evaluating CLNM patterns in papillary thyroid carcinoma (PTC) in different age groups.MethodA total of 907 patients diagnosed with PTC from August 2014 to December 2018 were enrolled. A nomogram illustrating CLNM was generated using the results of multivariate logistic regression analysis.ResultsAccording to the best Youden index, we set the cut-off age at 45 years. Multivariate logistic regression analysis showed that in patients aged &lt;45 years, large tumor size (P&lt;0.05), extra-thyroid extension (P&lt;0.05) and thyroglobulin level &gt;40 ng/ml (OR=2.985, 95% CI 1.379-6.462; P&lt;0.05) were independent risk factors; meanwhile, Hashimoto’s thyroiditis (OR=0.532, 95% CI 0.324-0.874; P&lt;0.05) was a protective factor of CLNM. In the subgroup with age ≥45 years, large tumor size (P&lt;0.05), extra-thyroid extension (P&lt;0.05), unclear margin (OR=1.604, 95% CI 1.065-2.416; P&lt;0.05), male gender (OR=2.009, 95% CI 1.257-3.212; P&lt;0.05) were independent risk factors for CLNM. In the subgroup with age &lt;45 years, an area under the curve (AUC) of 0.729 (95% CI 0.680-0.777); P&lt;0.05) was obtained. In the ≥45 years subgroup, the AUC was 0.668 (95% CI 0.619-0.716; P&lt;0.05).ConclusionCLNM of PTC in different age groups may have distinct patterns. Based on the potential risk factors for CLNM in patients with different age stratification, a user-friendly predictive model was established.
Non-Assisted Hatching Trophectoderm Biopsy Does Not Increase The Risks of Most Adverse Maternal and Neonatal Outcome and May Be More Practical for Busy Clinics: Evidence From China
Authors: Li Shuo , Ma Shuiying , Zhao Jialin , Hu Jingmei , Li Hongchang , Zhu Yueting , Jiang Wenjie , Cui Linlin , Yan Junhao , Chen Zi-Jiang 
Published: February 2022

ObjectiveThis study was conducted in order to investigate whether non-assisted hatching trophectoderm (TE) biopsy increases the risks of adverse perinatal outcomes in livebirths following elective single cryopreserved-thawed blastocyst transfer.Patients and MethodsA total of 5,412 cycles from 4,908 women who achieved singleton livebirths between 2013 and 2019 were included in this retrospective cohort study. All embryos in this study were fertilized by intracytoplasmic sperm injection (ICSI) and cryopreserved through vitrification. The main intervention is to open the zona pellucida (ZP) of day 5/6 blastocyst immediately for biopsy without pre-assisted hatching. The main outcome measures are the common maternal and neonatal outcomes, including hypertensive disorders of pregnancy (HDPs), gestational diabetes mellitus (GDM), abnormal placentation, abnormalities in umbilical cord and amniotic fluid, preterm birth, cesarean section, low birth weight, postpartum hemorrhage, and prolonged hospital stay (both mothers and infants). The generalized estimation equation (GEE) was used to control the effects of repeated measurements. The non-conditional logistic regression model was used to examine the associations between embryo biopsy status and each adverse perinatal event. Given that the selection bias and changes in learning curve might affect the results, we selected 1,086 similar (matching tolerance = 0.01) cycles from the ICSI group via propensity score matching (PSM) for second comparisons and adjustment (conditional logistic regression).ResultsAfter adjusting for confounders, we confirmed that the non-assisted hatching protocol did not increase the risks of most adverse maternal and neonatal outcomes. Despite this, there were increased risks of GDM (aOR: 1.522, 95% CI: 1.141–2.031) and umbilical cord abnormalities (aOR: 11.539, 95% CI: 1.199–111.067) in the biopsy group. In the second comparisons after PSM, GDM incidence in the biopsy group was still higher (7.26% vs. 5.16%, P = 0.042), yet all measurement outcomes were equally likely to occur in both groups after the second adjustment.ConclusionsThe non-assisted hatching TE biopsy does not increase the risks of most adverse perinatal outcomes. However, there is a higher GDM incidence in the biopsy group, and this association warrants further study. Considering its safety and simplicity, the non-assisted hatching protocol has the potential to become the preferred option for TE biopsy, especially in busy clinics and IVF laboratories.
Combined Sugarcane Pretreatment for the Generation of Ethanol and Value-Added Products
Authors: Bordignon Sidnei Emilio , Ximenes Eduardo , Perrone Olavo Micali , Carreira Nunes Christiane da Costa , Kim Daehwan , Boscolo Maurício , Gomes Eleni , Filho Edivaldo Ximenes Ferreira , da Silva Roberto , Ladisch Michael R. 
Published: February 2022

In this work, we have tested individual and combination of applications of ozonolysis and liquid hot water (LHW) to pretreat sugarcane bagasse (SCB) for the removal of enzyme and/or microbial inhibitors and generation of potential value-added chemicals. A solid content with 80% cellulose and a liquid phase (liquor) rich in phenolic derived compounds (3 g.L−1) from lignin, sugars (&gt;20 g.L−1), and other compounds, such as furfural and hydroxymethylfurfural (HMF), were generated. Maximal (59%) glucan conversion occurred in the presence of double-pretreated bagasse, which had 32–50% more glucan available than the samples that were individually LHW or ozone-pretreated, resulting in maximal ethanol production (92% after 42 h) from double-pretreated SCB enzyme hydrolyzate. In summary, this work showed that ozone reacts effectively with lignin without the use of any other chemical reagent, and LHW pretreatment, followed by a washing step, was effective in solubilizing and cleaning up the fiber enzyme and microbial inhibitory compounds with ozone being effective against phenolics. Moreover, the generated cellulose-rich substrate is readily fermentable. The acidic liquor fraction removed by sequential washings and containing mainly sugars and phenolic compounds may be evaluated for use in green chemistry bioconversions processes.
Identification of the Powdery Mildew Resistance in Chinese Wheat Cultivar Heng 4568 and its Evaluation in Marker-Assisted Selection
Authors: Gao Huiming , Xu Xiaozhe , Ai Pengfei , Luo Fuyi , Guo Peng , Ma Pengtao 
Published: February 2022

Powdery mildew induced by Blumeria graminis f. sp. Tritici (Bgt) has a devastating impact on global wheat yield and quality. Host resistance is the most effective and economical means to control this disease. In this study, Heng 4568, an elite wheat cultivar, shows high resistance to 12 Bgt isolates from different regions in China at the seedling stage. Genetic analysis demonstrates that the powdery mildew resistance in Heng 4568 is conferred by a single dominant locus, temporarily designated PmH4568. Furthermore, PmH4568 is mapped to the reported Pm2 interval on chromosome 5DS with five Pm2 linked markers and flanked by the markers Bwm20 and Bwm21 with a genetic distance of 0.3 and 0.6 cM, respectively. To further investigate the relationship between PmH4568 and Pm2, the diagnostic marker Pm2b-map-3 of Pm2 is used to genotype the F2:3 population derived from the cross Heng 4568 × Daimai 2173. Notably, there is no recombination found, indicating that PmH4568 is also probably a Pm2 allele. In addition, five closely linked markers as well as one diagnostic marker are successfully developed and tested in 16 wheat cultivars from different agro-ecological areas in China, which have potential applications in molecular breeding by marker-assisted selection.
Involvement of CircRNA Expression Profile in Diabetic Retinopathy and Its Potential Diagnostic Value
Authors: He Hengqian , Zhang Juntao , Gong Weikun , Liu Mengyun , Liu Hao , Li Xiaoyong , Wu Yufei , Lu Qinkang 
Published: February 2022

Background: Circular RNAs (circRNAs), a class of non-coding and undegradable RNAs, play many pathological functions by acting as miRNA sponges, interacting with RNA-binding proteins, and others. The recent literature indicates that circRNAs possess the advanced superiority for the early screening of diabetic retinopathy (DR).Methods: CircRNA sources of peripheral blood mononuclear cells (PBMCs) from healthy controls (n = 4), diabetes mellitus patients (DM) (n = 4), and DR patients (n = 4) were extracted for circular RNA microarray analysis. Enriched biological modules and signaling pathways were analyzed by Gene Ontology Enrichment and Kyoto Encyclopedia of Genes and Genomes analysis, respectively. Real-time quantitative reverse transcription PCR (RT-qPCR) was performed to validate differentiated levels of several circRNAs (fold change ≥2, p &lt; .05) in different groups of healthy control subjects (n = 20), DM patients (n = 60), and DR patients (n = 42). Based on our clinical data from DR, the diagnostic performance of candidate circRNAs was measured by operating characteristic curves (ROCs). Subsequently, their circRNA–miRNA networks were constructed by bioinformatics analysis.Results: Circular RNA microarray analysis was performed, and 2,452 and 289 circRNAs were screened with differential expression in DR patients compared to healthy controls and DM patients, respectively. Enrichment analyses showed that circRNAs in DR patients were enriched in extracellular matrix (ECM)–receptor interaction and focal adhesion pathways. The top 5 differential circRNAs in circRNA microarray analysis were subsequently quantified and verified by RT-qPCR. Consistently, a significant 2.2-fold reduction of hsa_circ_0095008 and 1.7-fold increase in hsa_circ_0001883 were identified in DR patients compared to DM patients. Meanwhile, the area under curves of hsa_circ_0095008 and hsa_circ_0001883 were 0.6710 (95% CI, 0.5646–0.7775) (p = 0.003399) and 0.6071 (95% CI, 0.4953–0.7189) (p = 0.06644), respectively, indicating a good diagnostic value.Conclusion: Our study provided a new sight for the pathological mechanism of DR and revealed the potential value of hsa_circ_0095008 and hsa_circ_0001883 as diagnostic biomarkers for the early diagnosis of DR patients.
Common Variable Immunodeficiency-Associated Cancers: The Role of Clinical Phenotypes, Immunological and Genetic Factors
Authors: Bruns Luzia , Panagiota Victoria , von Hardenberg Sandra , Schmidt Gunnar , Adriawan Ignatius Ryan , Sogka Eleni , Hirsch Stefanie , Ahrenstorf Gerrit , Witte Torsten , Schmidt Reinhold Ernst , Atschekzei Faranaz , Sogkas Georgios 
Published: February 2022

ObjectiveThe aim of this study was to investigate the prevalence of cancer and associating clinical, immunological, and genetic factors in a German cohort of patients with common variable immunodeficiency (CVID).MethodsIn this retrospective monocenter cohort study, we estimated the standardized incidence ratio (SIR) for different forms of cancer diagnosed in CVID patients. Furthermore, we evaluated the likely association of infectious and non-infectious CVID-related phenotypes with the diagnosis of cancer by calculation of the odds ratio. The genetic background of CVID in patients with cancer was evaluated with sequential targeted next-generation sequencing (tNGS) and whole-exome sequencing (WES). Patients’ family history and WES data were evaluated for genetic predisposition to cancer.ResultsA total of 27/219 patients (12.3%) were diagnosed with at least one type of cancer. Most common types of cancer were gastric cancer (SIR: 16.5), non-melanoma skin cancer (NMSC) (SIR: 12.7), and non-Hodgkin lymphoma (NHL) (SIR: 12.2). Immune dysregulation manifesting as arthritis, atrophic gastritis, or interstitial lung disease (ILD) was associated with the diagnosis of cancer. Furthermore, diagnosis of NMSC associated with the diagnosis of an alternative type of cancer. Studied immunological parameters did not display any significant difference between patients with cancer and those without. tNGS and/or WES yielded a definite or likely genetic diagnosis in 11.1% of CVID patients with cancer. Based on identified variants in cancer-associated genes, the types of diagnosed cancers, and family history data, 14.3% of studied patients may have a likely genetic susceptibility to cancer, falling under a known hereditary cancer syndrome.ConclusionsGastric cancer, NMSC, and NHL are the most frequent CVID-associated types of cancer. Manifestations of immune dysregulation, such as arthritis and ILD, were identified as risk factors of malignancy in CVID, whereas studied immunological parameters or the identification of a monogenic form of CVID appears to have a limited role in the evaluation of cancer risk in CVID.
Microwave Synthesize Karaya Gum-Cu, Ni Nanoparticles Based Bionanocomposite as an Adsorbent for Malachite Green Dye: Kinetics and Thermodynamics
Authors: Saruchi  , Kumar Vaneet , Ghfar Ayman A. , Pandey Sadanand 
Published: February 2022

A novel approach was used to synthesize karaya gum-Cu, Ni nanoparticles based bionanocomposite by microwave irradiation method. Synthesized bionanocomposite was characterized by different techniques like Fourier transform infrared spectroscopy (FTIR), Field Emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), High Resolution Transmission Electron Microscopy (HR-TEM), and Energy Dispersive X-Ray Analysis (EDX). The optimized condition for Karaya Gum-Cu-Ni–Bionanocomposite synthesis was the amount of solvent 4 ml, pH 10, time 20 s, power 100 W, monomer, and cross-linker concentration 14.11 mol L-1 and 0.1135 mol L-1, respectively. The maximum % swelling was found to be 1,176%. Different reaction parameters were optimized to get the maximum adsorption of malachite green dye. The maximum dye adsorption was found to be 94.1%. Different models for kinetics and isotherms were applied to analyze the adsorption data. Malachite green sorption onto bionanocomposite is best defined by pseudo second order kinetics, signifying that the dye uptake by the nanocomposite was organized by chemisorption method involving sharing of electrons in-between the cationic part of the dye as well as the anionic part of the bionanocomposite. Correlation coefficient (R2) was close to unity (0.99569). The R2 values of nanocomposite best fit in the Freundlich adsorption isotherm. The study confirmed the synthesized bionanocomposite was an efficient adsorbent for the adsorption of the harmful malachite green dye.