bluuebunny/crossref_metadata_2025 huggingface dataset:
Diagnostic performance of core needle biopsy for nodal recurrences in patients with head and neck squamous cell carcinoma
Authors: Lo Ta-Hsuan , Wang Cheng-Ping , Chen Chun-Nan , Yang Tsung-Lin , Lou Pei-Jen , Ko Jenq-Yuh , Chang Yih-Leong , Chen Tseng-Cheng
Published: February 2022

This study investigated the diagnostic accuracy and affecting factors of ultrasound (US)-guided core-needle biopsy (CNB) in patients with treated head and neck squamous cell carcinoma (HNSCC). We retrospectively reviewed patients with treated HNSCC who received US-guided CNB from January 2011 to December 2018 with corresponding imaging. Pathological necrosis and fibrosis of targeted lymph nodes (LNs) were evaluated. We analyzed the correlation between CNB accuracy and clinical and pathological characteristics. In total, 260 patients were included. The overall sensitivity, specificity, positive predictive value (PPV), negative predictive value (NPV), and accuracy of CNB for nodal recurrence were 84.47%, 100%, 100%, 54.67%, and 86.92%, respectively. CNB of fibrotic LNs had significantly worse sensitivity, NPV, and accuracy than that of non-fibrotic LNs. Similarly, CNB of necrotic LNs had significantly worse sensitivity, NPV, and accuracy than non-necrotic LNs. Multivariate regression revealed that fibrotic LN was the only independent factor for a true positive rate, whereas both necrotic LN and fibrotic LN were independent factors for a false negative rate. The diagnostic accuracy of CNB in treated HNSCC patients is affected by LN necrosis and fibrosis. Therefore, CNB results, particularly for necrotic or fibrotic LNs, should be interpreted carefully.
Complement C5aR/LPS-induced BDNF and NGF modulation in human dental pulp stem cells
Authors: Irfan Muhammad , Kim Ji Hyun , Druzinsky Robert E. , Ravindran Sriram , Chung Seung
Published: February 2022

Stem cells with the ability to differentiate into a variety of cells and secrete nerve regeneration factors have become an emerging option in nerve regeneration. Dental pulp stem cells (DPSCs) appear to be a good candidate for nerve regeneration given their accessibility, neural crest origin, and neural repair qualities. We have recently demonstrated that the complement C5a system, which is an important mediator of inflammation and tissue regeneration, is activated by lipoteichoic acid-treated pulp fibroblasts, and governs the production of brain-derived nerve growth factor (BDNF). This BDNF secretion promotes neurite outgrowth towards the injury site. Here, we extend our observation to DPSCs and compare their neurogenic ability to bone marrow-derived mesenchymal stem cells (BM-MSCs) under inflammatory stimulation. Our ELISA and immunostaining data demonstrate that blocking the C5a receptor (C5aR) reduced BDNF production in DPSCs, while treatment with C5aR agonist increased the BDNF expression, which suggests that C5aR has a positive regulatory role in the BDNF modulation of DPSCs. Inflammation induced by lipopolysaccharide (LPS) treatment potentiated this effect and is C5aR dependent. Most important, DPSCs produced significantly higher levels of C5aR-mediated BDNF compared to BM-MSCs. Taken together, our data reveal novel roles for C5aR and inflammation in modulation of BDNF and NGF in DPSCs.
InSAR data reveal that the largest hydraulic fracturing-induced earthquake in Canada, to date, is a slow-slip event
Authors: Eyre Thomas S. , Samsonov Sergey , Feng Wanpeng , Kao Honn , Eaton David W.
Published: February 2022

For tectonic earthquakes, slip rate spans a continuum from creep to supershear earthquakes, where slow slip events (SSEs) are important in releasing stress without radiating damaging seismic energy. Industrial-scale subsurface fluid injection has caused induced earthquakes, but the role of SSEs in fault activation is currently unclear. Ground-deformation observations, measured by satellite radar, show that SSEs up to magnitude 5.0 occurred during hydraulic fracturing (HF) operations in northwestern Canada, corroborated by reported deformation of the steel well casing. Although the magnitude 5.0 SSE exceeded the magnitude of the largest induced earthquake in this region (magnitude 4.55), it was undetected by seismograph networks. The observed SSEs occurred within a buried thrust belt and their magnitude and duration are consistent with scaling behavior of SSEs in unbounded natural systems, e.g. slab interfaces in subduction zones.
Diversity and dynamics of bacteria at the Chrysomya megacephala pupal stage revealed by third-generation sequencing
Authors: Xu Wang , Wang Yu , Wang Ying-hui , Zhang Ya-nan , Wang Jiang-feng
Published: February 2022

Characterization of the microbial community is essential for understanding the symbiotic relationships between microbes and host insects. Chrysomya megacephala is a vital resource, a forensic insect, a pollinator, and a vector for enteric bacteria, protozoa, helminths, and viruses. However, research on its microbial community is incomprehensive, particularly at the pupal stage, which comprises approximately half of the entire larval development stage and is important entomological evidence in forensic medicine. For the first time, this study investigated the bacterial communities of C. megacephala pupae at different ages using third-generation sequencing technology. The results showed that C. megacephala has a diverse and dynamic bacterial community. Cluster analysis at ≥ 97% similarity produced 154 operational taxonomic units (OTUs) that belonged to 10 different phyla and were distributed into 15 classes, 28 orders, 50 families, 88 genera, and 130 species. Overall, the number of bacterial OTUs increased with the development of pupae, and the relative abundance of Wolbachia in the Day5 group was significantly lower than that in the other groups. Within the pupal stage, Proteobacteria, Firmicutes, and Bacteroidetes were the dominant phyla of bacteria. At the genus level, Wolbachia and Ignatzschineria coexisted, a rarely known feature. In addition, we found Erysipelothrix rhusiopathiae, the etiological agent of swine erysipelas, which is rarely identified in insects. This study enriches the understanding of the microbial community of C. megacephala and provides a reference for better utilization and control of C. megacephala.
Retraction Note: Discrimination of urinary exosomes from microvesicles by lipidomics using thin layer liquid chromatography (TLC) coupled with MALDI-TOF mass spectrometry
Authors: Singhto Nilubon , Vinaiphat Arada , Thongboonkerd Visith
Published: February 2022

This Article has been retracted; the Retraction Note is available at: https://doi.org/10.1038/s41598-022-06491-2.
Fgf8 dynamics and critical slowing down may account for the temperature independence of somitogenesis
Authors: Zhang Weiting , Scerbo Pierluigi , Delagrange Marine , Candat Virginie , Mayr Vanessa , Vriz Sophie , Distel Martin , Ducos Bertrand , Bensimon David
Published: February 2022

Somitogenesis, the segmentation of the antero-posterior axis in vertebrates, is thought to result from the interactions between a genetic oscillator and a posterior-moving determination wavefront. The segment (somite) size is set by the product of the oscillator period and the velocity of the determination wavefront. Surprisingly, while the segmentation period can vary by a factor three between 20 °C and 32 °C, the somite size is constant. How this temperature independence is achieved is a mystery that we address in this study. Using RT-qPCR we show that the endogenous fgf8 mRNA concentration decreases during somitogenesis and correlates with the exponent of the shrinking pre-somitic mesoderm (PSM) size. As the temperature decreases, the dynamics of fgf8 and many other gene transcripts, as well as the segmentation frequency and the PSM shortening and tail growth rates slows down as T–Tc (with Tc = 14.4 °C). This behavior characteristic of a system near a critical point may account for the temperature independence of somitogenesis in zebrafish.
Geometry-enhanced molecular representation learning for property prediction
Authors: Fang Xiaomin , Liu Lihang , Lei Jieqiong , He Donglong , Zhang Shanzhuo , Zhou Jingbo , Wang Fan , Wu Hua , Wang Haifeng
Published: February 2022

Effective molecular representation learning is of great importance to facilitate molecular property prediction. Recent advances for molecular representation learning have shown great promise in applying graph neural networks to model molecules. Moreover, a few recent studies design self-supervised learning methods for molecular representation to address insufficient labelled molecules; however, these self-supervised frameworks treat the molecules as topological graphs without fully utilizing the molecular geometry information. The molecular geometry, also known as the three-dimensional spatial structure of a molecule, is critical for determining molecular properties. To this end, we propose a novel geometry-enhanced molecular representation learning method (GEM). The proposed GEM has a specially designed geometry-based graph neural network architecture as well as several dedicated geometry-level self-supervised learning strategies to learn the molecular geometry knowledge. We compare GEM with various state-of-the-art baselines on different benchmarks and show that it can considerably outperform them all, demonstrating the superiority of the proposed method.
2D Photocatalytic Materials for Environmental Applications
Authors: Xu You , Wu Shuyang , Samanta Subhajyoti , Kulkarni Sneha A. , Xu Rong
Published: February 2022

The employment of two-dimensional (2D) nanomaterials in photocatalytic applications in the environment has drawn extensive research interest. Due to their unique features, 2D materials have numerous merits in charge transport, light harvesting, morphology design and surface modulation. Hence, 2D materials have become an essential part in the photocatalyst family. This chapter summarises the recent progress in the exploitation of 2D materials for efficient environmental remediation and the key chemistry and engineering issues limiting photocatalysis in real-world applications. 2D materials such as graphene, g-C3N4, black phosphorus, metal oxide nanosheets and transition metal chalcogenides are introduced. Strategies for enhancing the photocatalytic performance of 2D materials (e.g., hybridisation, doping, grain boundary engineering, assembly) are discussed. Moreover, numerous important works on the application of these materials in photocatalytic air purification, water disinfection and heavy metal detoxification are reviewed. Finally, the challenges and future outlook for the application of 2D materials in photocatalytic environmental remediation are highlighted.
Alternative Oil Structuring Techniques: Oil Powders, Double Emulsions and Oil Foams
Authors: Zhi Zijian , Dewettinck Koen , van Bockstaele Filip
Published: February 2022

The structure of many lipid-rich products is based on the presence of a crystal network formed by a triacylglycerol (TAG) hardstock entrapping liquid oil. These foods thus contain a high content of saturated fatty acids, which is one of the key factors contributing to cardiovascular diseases. A diet relatively high in unsaturated fatty acids is known to decrease the risk factors related to cardiovascular disease. To maintain texture and sensory properties historically associated with saturated fats, it is desirable to develop alternative routes enabling the structuring of edible oils. This chapter provides an overview of alternative oil structuring techniques including oil-in-water-in-oil (O/W/O) emulsions, oil powders, and oil foams. Additionally, it provides a description of the theoretical basis for these alternative complex multiphase dispersions, their production, the resulting microstructures, and possible applications in the food industry.
On the Applicability of the Oryzanol–Sitosterol Structuring System
Authors: Scharfe M. , Flöter E.
Published: February 2022

This chapter discusses the applicability of oleogels in food products with a particular focus on the sitosterol–oryzanol binary structuring system. Whether the cause for the practical absence of food products utilizing oleogels in the market is due to costs or legal hurdles remains unanswered. The well-studied physical chemistry of the sterol structuring system and its implications for food applications are reviewed. The best structuring results are obtained with the equimolar application of the two structurants, when the water activity of the system is kept below 0.9. The evaluation of standard methods to characterize oleogels indicates that it remains unresolved which methods are most suited to issue relevant statements regarding their product functionality. That is illustrated by reviewing the successful development of product prototypes.
Glycerolysis-structured Lipid Systems
Authors: Nicholson R. A. , Marangoni A. G.
Published: February 2022

Lipase-catalyzed glycerolysis converts native triglycerides into partial glycerides and has been shown to be an effective technique for structuring plant-based oils into solid fats without altering the fatty acid composition. This approach has been successfully used to structure a variety of oils with differing fatty acid compositions. For all oil systems studied, a 20 °C increase in crystallization onset temperature was observed. The physical properties of the glycerolysis-structured systems changed depending on the fatty acid composition of the oil and produced a range of solid fat content-temperature profiles suitable for different trans-free applications. Solid fat content increases were greatest for high oleic oils containing >10% saturated fat. The solid fat content of tigernut oil at 5 °C increased from 8% to 34%, while olive oil, which previously had no solid material contained 24.1% solids following glycerolysis. Glycerolysis-structured tigernut oil has been used to make margarine with plasticity and firmness similar to commercial margarine and butter. In addition, the melting properties of this product are preferable to those of some palm-based margarines available commercially. The ability to further tailor the properties of structural fats using the glycerolysis reaction conditions makes this an appealing process for producing trans-free lipid systems.
MALDI-TOF mass spectrometry applied for animal species identification based on bone samples
Authors: Zhao Xin , Bi Hongyan
Published: February 2022

Animal bones could be differentiated by mild acid-based hydrolysis, MALDI-TOF MS and PCA, holding a great potential for animal species monitoring in raw fish and meats, and for judicial authentication.
Pharmacokinetic and pharmacodynamic analysis of cefoperazone/sulbactam for the treatment of pediatric sepsis by Monte Carlo simulation
Authors: Ye Linhu , Cheng Lei , Kong Lingti , Zhao Xinqian , Xie Guoyan , He Jing , Liu Hong , Deng Yan , Wu Xinyu , Wang Tingting , Yang Xixiao
Published: February 2022

Pediatric sepsis syndrome is one of the most common reasons for pediatric intensive care unit hospitalization (PICU).
Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines
Authors: Horwitz Samantha M. , Blue Tamra C. , Ambarian Joseph A. , Hoshino Shotaro , Seyedsayamdost Mohammad R. , Davis Katherine M.
Published: February 2022

We report the first structures of bacterial HAQs bound to their target DHODH and provide insights into mechanism of inhibition.
Energy transfer in FRET pairs in a supramolecular hydrogel template
Authors: Laishram Raju , Maitra Uday
Published: February 2022

A single hydrogel works as a template for different FRET pairs by bringing together the donor and the acceptor through non-covalent means.
Engineering a dual-responsive, exosome-surface anchored DNA nanosensor for microenvironment monitoring in vivo
Authors: Yu Dingwen , Yang Jinfeng , Wang Lijuan , Chen Mingjian , Yang Ronghua , Zheng Jing
Published: February 2022

We propose an azoreductase and pH dual-responsive amphiphilic pyramidal tetrahedral DNA probe to construct a circulating exosome-surface anchored nanosensor for monitoring of microenvironment in vivo.
Anchoring boron atoms to the specific tetrahedral sites of borosilicate MFI by imidazolium-based molecules
Authors: Ma Yufang , Wang Lei , Chen Lei , Shen Meikun , Yang Xue , Wang Tengteng , Yuan Feixiang , Zhou Yu , Wang Jun , Zhu Hongjun
Published: February 2022

A series of borosilicate MFI zeolites were successfully synthesized using imidazolium-based molecules. The interactions between the boron-enriched framework and guest molecules were elucidated.
Preparation of core–shell structured NaYF4:Yb3+/Tm3+@NaYF4:Yb3+/Er3+ nanoparticles with high sensitivity, low resolution and good reliability and application of their fluorescence temperature properties
Authors: Meng Mingzhou , Zhang Rui , Fa Xinmeng , Yang Jianghua , Cheng Zhenlong , Ansari Anees A. , Ou Jun , Wurth Christian , Resch-Genger Ute
Published: February 2022

By doping Tm3+ and Er3+ with core–shell partitioning, not only a significant increase in fluorescence intensity could be achieved, but also simultaneous temperature measurements on multiple thermocouple energy levels could be realised.
Interconversion between Lewis and Brønsted–Lowry acid sites on vanadia-based catalysts
Authors: Nuguid Rob Jeremiah G. , Ortino-Ghini Lorenzo , Suskevich Vitaly L. , Yang Jie , Lietti Luca , Kröcher Oliver , Ferri Davide
Published: February 2022

Temperature, gas feed, and catalyst composition affect the interplay between Lewis acid sites (LAS) and Brønsted–Lowry acid sites (BAS). Water increases BAS not just by converting pre-existing LAS, but also by generating spontaneously new acid sites.
Reconciling models of interfacial state kinetics and device performance in organic solar cells: impact of the energy offsets on the power conversion efficiency
Authors: Azzouzi Mohammed , Gallop Nathaniel P. , Eisner Flurin , Yan Jun , Zheng Xijia , Cha Hyojung , He Qiao , Fei Zhuping , Heeney Martin , Bakulin Artem A. , Nelson Jenny
Published: February 2022

We present a new framework to study organic photovoltaic devices in which a model that integrates device physics with excited state dynamics is applied to explain transient and steady-state spectroscopic and optoelectronic measurements.
A highly efficient constant-voltage triboelectric nanogenerator
Authors: Li Xinyuan , Zhang Chuguo , Gao Yikui , Zhao Zhihao , Hu Yuexiao , Yang Ou , Liu Lu , Zhou Linglin , Wang Jie , Wang Zhong Lin
Published: February 2022

A universal method for triboelectric nanogenerator is provided to obtain a constant-voltage output rather than a pulse-voltage output, simultaneously solving the key problems of a high crest factor, low average power, and energy-output inefficiency.
Dynamics over a Cu–graphite electrode during the gas-phase CO2 reduction investigated by APXPS
Authors: Arrigo Rosa , Blume Raoul , Large Alexander Ian , Velasco-Vélez Juan Jesus , Hävecker Michael , Knop-Gericke Axel , Held Georg
Published: February 2022

We use ambient pressure X-ray photoelectron and absorption spectroscopies coupled with on-line gas detection to investigate in situ performance and interface chemistry of an electrodeposited Cu on a carbon support under conditions of CO2 reduction.
Highly stable, antihypertensive, and antioxidative peptide production from Apostichopus japonicus by integrated enzymatic membrane reactor and nanofilter-purification mechanism
Authors: Quaisie Janet , Ma Haile , Guo Yiting , Tuly Jamila Akter , Igbokwe Chidimma Juliet , Ekumah John-Nelson , Akpabli-Tsigbe Nelson Dzidzorgbe Kwaku , Yanhua Ding , Liu Dandan
Published: February 2022

The feasibility of preparing highly stable and enhanced multi-functional bioactive peptides from proteins with exceptionally high viscosity was demonstrated.
Comparison of the chemical composition and antioxidant stress ability of polysaccharides from Auricularia auricula under different drying methods
Authors: Zhang Yakun , Shi Qianwen , Jiang Wen , Yao Jing , Zeng Jiangying , Wang Weimin , Zhang Yongjun
Published: February 2022

Auricularia auricula fruiting body-derived polysaccharides (AAPs) were dried using different drying procedures, including hot air-, far infrared-, freeze-, and microwave-drying.
Performance and reaction mechanisms of tin compounds as high-capacity negative electrodes of lithium and sodium ion batteries
Authors: Kotaka Hiroki , Momida Hiroyoshi , Oguchi Tamio
Published: February 2022

We study the rechargeable Li and Na ion battery characteristics of tin sulfide (SnS) and tin phosphate (Sn4P3) as negative electrodes by first-principles calculations.
Polydiacetylene photocomposite material obtained by orthogonal chemistry: a detailed study at the mesoscopic scale
Authors: Teyssandier Joan , Fouchier Marc , Lalevée Jacques , Simon Laurent
Published: February 2022

The phase separation between polydiacetylene and a polyacrylate is studied at the local scale with correlative spectroscopic and microscopy techniques, revealing new properties of confined polydiacetylene.
Spatial proteomic alterations detected via MALDI-MS imaging implicate neuronal loss in a Huntington's disease mouse (YAC128) brain
Authors: Karayel-Basar Merve , Uras Irep , Kiris Irem , Sahin Betul , Akgun Emel , Baykal Ahmet Tarik
Published: February 2022

MALDI-MS imaging methodology was used to show spatial proteomic alterations on YAC128 mice brains. The optimized and improved workflow is suitable for tissue analysis and the acquired results are believed to provide important insights into disease.
Dynamic nanosurface reconfiguration by host–guest supramolecular interactions
Authors: Fernández-Caro Héctor , Méndez-Ardoy Alejandro , Montenegro Javier
Published: February 2022

The dynamic functionalization of the nanoparticle surface with biocompatible coatings is a critical step towards the development of functional nano-sized systems. Here we show biomolecular dynamic exchange by host–guest interactions at the surface of nanoparticles.
Spin-forbidden near-infrared luminescence from a F3+ colour centre generated upon annealing in mechanochemically prepared nanocrystalline BaLiF3
Authors: Chowdhury Nishita , Hutchison Wayne , Riesen Nicolas , Krausz Elmars , Riesen Hans
Published: February 2022

Annealing of mechanochemically prepared nanocrystalline BaLiF3 yields F3+ colour centres that exhibit unique singlet (excited state) to triplet (ground state) luminescence in the NIR.
Predicting the conformational variability of oncogenic GTP-bound G12D mutated KRas-4B proteins at zwitterionic model cell membranes
Authors: Lu Huixia , Martí Jordi
Published: February 2022

Representative stable states for active methylated KRas-4B proteins at the cell membrane's interface and structural evolution of druggable pockets Switch I and Switch II along the Minimum Free-Energy Path.
Mandelic acid appended chiral gels as efficient templates for multicolour circularly polarized luminescence
Authors: Reddy Kumbam Lingeshwar , Mathew Jikson Pulparayil , Maniappan Sonia , Tom Catherine , Shiby Elizabeth , Pujala Ravi Kumar , Kumar Jatish
Published: February 2022

A host-guest approach is adopted for the generation of multicolor chiral luminescence from a hybrid nanocomposite comprising of mandelic acid-based chiral gels and achiral carnon nanodots.
A single-beam NIR laser-triggered full-color upconversion tuning of a Er/Tm:CsYb2F7@glass photothermal nanocomposite for optical security
Authors: Zhu Jiwen , Wang Shaoxiong , Yang Zezhong , Liao Shengxiang , Lin Jidong , Yao Hurong , Huang Feng , Zheng Yuanhui , Chen Daqin
Published: February 2022

The development of advanced luminescent materials is highly desirable for addressing the rising threat of forgery.
Generation of multi-valence CuxO by reduction with activated semi-coke and their collaboration in the selective reduction of NO with NH3
Authors: Peng Bo , Liang Shuoyang , Yan Zheng , Wang Hao , Meng Zhao , Zhang Mei
Published: February 2022

In this work, we systematically analyzed the structure–activity relationship and synergistic mechanism of activated semi-coke (ASC)-loaded multi-valence CuxO for the low-temperature NO-SCR process by NH3.
Investigating the role of multiple categorization tasks in a curriculum designed around mechanistic patterns and principles
Authors: Lapierre Keith R. , Streja Nicholas , Flynn Alison B.
Published: February 2022

The goal of the present work is to extend an online reaction categorization task as a research instrument to a formative assessment tool of students’ knowledge organization for organic chemistry reactions. Herein, we report our findings from administering the task with undergraduate students in Organic Chemistry II, at a large, research intensive Canadian university, including the relationship between instrument and exam scores. The online categorization task uses 25 reaction cards that participants were asked to sort first into categories of their choosing (i.e., an open sort) then into the mechanistic categories defined in a Patterns of Mechanisms curriculum (i.e., a closed sort). We observed a small, significant correlation between how learners chose to organize their knowledge (i.e., open sort) and their cued ability (i.e., match with expert sort) at the beginning of the Organic Chemistry II course (N = 65, r = 0.28, p = 0.026). We conducted a correlation analysis between students’ scores on the open and closed sort tasks and academic achievement. We found a strong relationship between the scores in the online categorization tasks and Organic Chemistry II exams, especially from the closed sort tasks (N = 43, r = 0.70, p = 0.000). To date, no other discipline specific card-sort tasks have shown such a strong correlation with final assessment grades. We also found an increasing relationship between students’ choice and ability over time as students developed their expertise in the domain. This work also added evidence to the validity and reliability of the organic card-sort instrument, through multiple measures. Educators and students could use the card sort task as a self-assessment measure and as part of classroom activities related to mechanistic analysis. Future work is needed to investigate how card sort tasks of this type are connected with expertise in other settings.
Blending muddiest point activities with the common formative assessments bolsters the performance of marginalized student populations in general chemistry
Authors: Muteti Caroline Z. , Kerr Tracy , Mwavita Mwarumba , Mutambuki Jacinta M.
Published: February 2022

Formative assessments (FAs), such as muddiest point activities can capture students’ areas of confusion or struggle on given content that may otherwise be overlooked with the common FAs, such as quizzes, homework, and clickers. The few reported studies indicate mixed results on the effects of implementing the muddiest point in undergraduate STEM or chemistry courses. Additionally, the commonly reported implementation model involves the short cycle—asking the areas of confusion at the end of the lesson on instructor pre-chosen topics. Using a quasi-experimental study design, we investigated the effects of blending the muddiest point activities at each Chapter (medium cycle) with the usual common FAs on performance in the General Chemistry 1 course. In one lecture section, students were exposed to the muddiest point and the common FAs, whereas in another lecture students were exposed to the common FAs alone. Results showed students in the treatment group performed significantly (p< 0.05) better on all three midterm exams than their counterparts who were exposed to the usual common FAs only. The mean difference in the final exam was not statistically significant (p> 0.05), even though the treatment group showed a slightly higher mean score than the comparison group. MANCOVA results showed a statistically significant main effect of the FA type and statistically significant interactions between the FA type and demographic variables, particularly gender and first-generation status, and race/ethnicity and first-generation status on performance, after controlling for ACT Math scores. Between-subject tests revealed significantly higher mean scores on some midterm exams for minority, minority-first-generation, and female-first-generation students in the treatment group compared to their peers in the comparison group. The findings imply that muddiest point activities can promote equitable access to learning for all students and bolster performance, particularly for marginalized students.
Generating 3D molecules conditional on receptor binding sites with deep generative models
Authors: Ragoza Matthew , Masuda Tomohide , Koes David Ryan
Published: February 2022

We generate 3D molecules conditioned on receptor binding sites by training a deep generative model on protein–ligand complexes. Our model uses the conditional receptor information to make chemically relevant changes to the generated molecules.
Ruthenium pincer complex-catalyzed heterocycle compatible alkoxycarbonylation of alkyl iodides: substrate keeps the catalyst active
Authors: Ai Han-Jun , Yuan Yang , Wu Xiao-Feng
Published: February 2022

A pincer ruthenium-catalyzed heterocycle compatible alkoxycarbonylation of alkyl iodides has been developed.
Single-atom substitution enables supramolecular diversity from dipeptide building blocks
Authors: Scarel Erica , Bellotto Ottavia , Rozhin Petr , Kralj Slavko , Tortora Mariagrazia , Vargiu Attilio V. , De Zorzi Rita , Rossi Barbara , Marchesan Silvia
Published: February 2022

Halogenated heterochiral dipeptides self-assemble into hydrogels or crystals, and synchrotron-based techniques complement models, microscopy and spectroscopy, to elucidate supramolecular packing.
Boosting activity toward oxygen reduction reaction of a mesoporous FeCuNC catalyst via heteroatom doping-induced electronic state modulation
Authors: Kim Jong Gyeong , Cho Jinwon , Han Sunghoon , Lee Hyejin , Yuk Eunsung , Bae Byungchan , Jang Seung Soon , Pak Chanho
Published: February 2022

Mesoporous Fe and Cu anchored in N-, S-, and P-doped carbon (FeCuxNC) catalysts, revealing the presence of ordered mesoporous grain-shaped particles and demonstrating that the electronic state of the active sites (Fe–Nx) is controlled by their environments, which can affect ORR kinetics.
A quantum dot intercalated robust covalent organic framework membrane for ultrafast proton conduction
Authors: Fan Chunyang , Peng Quan , Wu Hong , Shi Benbing , Wang Xiaoyao , Ye Chumei , Kong Yan , Yin Zhuoyu , Liu Yiqin , Jiang Zhongyi
Published: February 2022

A phosphorylated GQD intercalated COF membrane simultaneously exhibits superhigh proton conductivity and outstanding mechanical strength.
PDA-coated CPT@MIL-53(Fe)-based theranostic nanoplatform for pH-responsive and MRI-guided chemotherapy
Authors: Zhou Chaohui , Yang Qingye , Zhou Xinyue , Jia Nengqin
Published: February 2022

A theranostic nanoplatform based on a bio-inspired polydopamine (PDA)-functionalized metal–organic framework MIL-53(Fe) loaded with camptothecin (CPT) for MRI-guided pH-sensitive chemotherapy.
Orange-red to NIR emissive carbon dots for antimicrobial, bioimaging and bacteria diagnosis
Authors: Su Rixiang , Yan Hongjun , Jiang Xiantao , Zhang Ying , Li Peiyuan , Su Wei
Published: February 2022

Schematic illustration of the preparation of Cur-NRCQDs with orange-red to NIR fluorescence. The Cur-NRCQDs showed excellent antibacterial effects on S. aureus and E.coli under PDT and have imaging applications.
Antimicrobial peptide-based materials: opportunities and challenges
Authors: Rai Akhilesh , Ferrão Rafaela , Palma Paulo , Patricio Tatiana , Parreira Paula , Anes Elsa , Tonda-Turo Chiara , Martins M. Cristina L. , Alves Nuno , Ferreira Lino
Published: February 2022

The design of antimicrobial peptide-based materials for biomedical applications such as fighting infections in various organs, cancer therapy, gene delivery and detection of bacteria.
A multifunctional α-Fe2O3@PEDOT core–shell nanoplatform for gene and photothermal combination anticancer therapy
Authors: Odda Atheer Hameid , Cheang Tuck-Yun , Alesary Hasan F. , Liu Lirong , Qian Xiaojun , Ullah Naseeb , Wang Gang , Pan Yueyin , Xu An-Wu
Published: February 2022

A highly specific design and synthesis of an α-Fe2O3@PEDOT core–shell nanoplatform for multifunctional gene/photothermal combination anti-cancer therapy.
FeV3O8/MoS2 nanostructure heterojunctions as a highly effective electrocatalyst for hydrogen evolution
Authors: Huang Zhi , Tang Xuejuan , Zhao Junjie , Lin Hua , Nie Ming , Li Qing
Published: February 2022

Great efforts have been made to explore efficient, stable and resource-rich non-noble metal electrocatalysts instead of noble metal electrocatalysts for the hydrogen evolution reaction (HER).
Broad-specificity time-resolved fluorescent immunochromatographic strip for simultaneous detection of various organophosphorus pesticides based on indirect probe strategy
Authors: Dong Haowei , Xu Deyan , Wang Guanjie , Meng Xiaoya , Sun Xia , Yang Qingqing , Guo Yemin , Zhu Yelong
Published: February 2022

An indirect probe strategy could effectively realize signal amplification, and save the amount and protect the activity of Abs.
Enantioseparation in high performance liquid chromatography: preparation and evaluation of a vancomycin-based chiral stationary phase via surface-initiated atom transfer radical polymerization
Authors: Guo Siyu , Huang Chao , Zhang Ning , Ma Shujuan , Bo Chunmiao , Gong Bolin , Ou Junjie
Published: February 2022

A chromatographic technique based on a chiral stationary phase (CSP) has been explored for enantioseparation.
Anhydrous calcium phosphate crystals stabilize DNA for dry storage
Authors: Antkowiak Philipp L. , Koch Julian , Rzepka Przemyslaw , Nguyen Bichlien H. , Strauss Karin , Stark Wendelin J. , Grass Robert N.
Published: February 2022

The preparation of ordered calcium phosphate (monetite) co-precipitated with DNA provides a simple method to stabilize DNA.
Accessing cationic tetrylene-nickel(0) systems featuring donor–acceptor E–Ni triple bonds (E = Ge, Sn)
Authors: Keil Philip M. , Hadlington Terrance J.
Published: February 2022

Linear cationic tetrylene-nickel(0) complexes reveal unique donor–acceptor triple bonding interactions between tetryl elements and a transition metal.
Unusual ligand substitution of a metal–organic framework with distorted metal–ligand coordination
Authors: Sakamoto Hikaru , Ito Akitaka , Ohtani Masataka
Published: February 2022

We demonstrate an unusual crystal-structure transition from metal–organic frameworks (MOFs) composed of ortho-phthalate ligands.
Attosecond electronic delay response in dielectric materials
Authors: Alqattan Husain , Hui Dandan , Sennary Mohamed , Hassan Mohammed Th.
Published: February 2022

Tracing the reflectivity modulation of a dielectric system in a strong field provides access to the electronic delay response of the system.
Controlling the conformational stability of coiled-coil peptides with a single stereogenic center of a peripheral β-amino acid residue
Authors: Szefczyk Monika , Ożga Katarzyna , Drewniak-Świtalska Magda , Rudzińska-Szostak Ewa , Hołubowicz Rafał , Ożyhar Andrzej , Berlicki Łukasz
Published: February 2022

Constrained β-amino acid-containing coiled-coil analogues were evaluated for conformational stability.
The effectiveness of education with the STEM approach in the development of entrepreneurial thinking in chemistry students
Authors: Akrami Zakyeh
Published: February 2022

Entrepreneurship is a teachable issue, and certain educational approaches can affect the entrepreneurial performance of learners. The purpose of this study was to investigate the effect of education with the science, technology, engineering, and mathematics (STEM) approach on the development of the entrepreneurial thinking skills of students who were studying at the Farhangian Teacher Education University. The method of the study is quasi-experimental. A total of 355 students were randomly selected as the statistical sample via multi-stage cluster sampling. The required data for the study were collected using a questionnaire, which was made by the researcher with a reliability of 0.78. Descriptive statistics and independent t-testing were used to obtain the results. The SPSS and LISREL software packages were used to analyze the data. The results showed that the STEM approach affects the general entrepreneurial characteristics, including self-confidence, thinking skills, risk-taking, leadership, creativity, and foresight. In addition, a significant relationship was observed between gender and the rate of entrepreneurial thinking development at the level of 99% confidence. There was a significant difference between male and female participants in all general characteristics of entrepreneurship, as well as in the overall entrepreneurship scale. According to the results of the study, educational institutions can provide a suitable field for developing talents and abilities of learners by choosing the most appropriate approach to teaching.
Microfluidic oxygen tolerability screening of nanocarriers for triplet fusion photon upconversion
Authors: Isokuortti Jussi , Kiiski Iiro , Sikanen Tiina , Durandin Nikita , Laaksonen Timo
Published: February 2022

A new microfluidic approach was used to screen the oxygen tolerability of photon upconverting nanocarriers and to quantify their performance at oxygen levels ranging from severely hypoxic tumours to healthy peripheral tissue.
Conformational ensembles of intrinsically disordered proteins and flexible multidomain proteins
Authors: Thomasen F. Emil , Lindorff-Larsen Kresten
Published: February 2022

Intrinsically disordered proteins (IDPs) and multidomain proteins with flexible linkers show a high level of structural heterogeneity and are best described by ensembles consisting of multiple conformations with associated thermodynamic weights. Determining conformational ensembles usually involves the integration of biophysical experiments and computational models. In this review, we discuss current approaches to determine conformational ensembles of IDPs and multidomain proteins, including the choice of biophysical experiments, computational models used to sample protein conformations, models to calculate experimental observables from protein structure, and methods to refine ensembles against experimental data. We also provide examples of recent applications of integrative conformational ensemble determination to study IDPs and multidomain proteins and suggest future directions for research in the field.
Tall tails: cryo-electron microscopy of phage tail DNA ejection conduits
Authors: Hardy Joshua M. , Dunstan Rhys A. , Lithgow Trevor , Coulibaly Fasséli
Published: February 2022

The majority of phages, viruses that infect prokaryotes, inject their genomic material into their host through a tubular assembly known as a tail. Despite the genomic diversity of tailed phages, only three morphological archetypes have been described: contractile tails of Myoviridae-like phages; short non-contractile tails of Podoviridae-like phages; and long and flexible non-contractile tails of Siphoviridae-like phages. While early cryo-electron microscopy (cryo-EM) work elucidated the organisation of the syringe-like injection mechanism of contractile tails, the intrinsic flexibility of the long non-contractile tails prevented high-resolution structural determination. In 2020, four cryo-EM structures of Siphoviridae-like tail tubes were solved and revealed common themes and divergences. The central tube is structurally conserved and homologous to the hexameric rings of the tail tube protein (TTP) also found in contractile tails, bacterial pyocins, and type VI secretion systems. The interior surface of the tube presents analogous motifs of negatively charged amino acids proposed to facilitate ratcheting of the DNA during genome ejection. The lack of a conformational change upon genome ejection implicates the tape measure protein in triggering genome release. A distinctive feature of Siphoviridae-like tails is their flexibility. This results from loose inter-ring connections that can asymmetrically stretch on one side to allow bending and flexing of the tube without breaking. The outer surface of the tube differs greatly and may be smooth or rugged due to additional Ig-like domains in TTP. Some of these variable domains may contribute to adsorption of the phage to prokaryotic and eukaryotic cell surfaces affecting tropism and virulence.
Secretion Bubbling as the Sound Mechanism for Nasal Rustle: A Perceptual Study
Authors: Oren Liran , Kummer Ann W. , Boyce Suzanne
Published: February 2022

Purpose:

Secretion bubbling on the superior aspect of the velopharyngeal (VP) valve typically occurs with a small VP opening during production of oral pressure consonants. The use of high-speed nasopharyngoscopy has shown correlation between the bubbling frequency and the acoustics captured with the nasal microphone of the nasometer. The purpose of this study was to investigate if the sound generated by the bubbling process is perceived as nasal rustle (also known as nasal turbulence).

Method:

Speech samples were extracted from the data of patients who were diagnosed with nasal rustle (five boys and five girls, ranging in age from 5 to 10 years old). A customized filter was used to remove the sound generated by the secretion bubbling. Six experienced listeners were asked to rate the perception of nasal rustle in each speech stimuli before and after the filtering process.

Results:

Rating values for the perception of nasal rustle were overall reduced in all cases after the filtering process. Furthermore, the perception of nasal rustle was eliminated in 40% of the cases. Rating reliability was excellent before the filtering process and moderate to good after filtering.

Conclusion:

Reducing the perception of nasal rustle using spectral filtering based on the bubbling frequencies supports the hypothesis that undesired sound in the nasal cavity is generated from the interaction of the turbulent airflow with the secretion bubbling.

Supplemental Material:

https://doi.org/10.23641/asha.19111544
A fractional‐N MASH2‐k FDC phase‐locked loop architecture enabling higher‐order quantisation noise shaping
Authors: Iwashita Ryoga , Xu Zule , Osada Masaru , Iizuka Tetsuya
Published: February 2022

The quantisation noise contribution of a conventional FDC phase‐locked loop (PLL) is still high due to the only second‐order noise‐shaping capability. A MASH2‐k FDC PLL architecture enabling (k + 2)th‐order noise shaping for more flexible loop design optimization and for a wider loop bandwidth to suppress the noise from the digitally controlled oscillator is proposed. The linear loop model is derived, and the noise contributions are analysed. The proposed PLL is evaluated with behavioural simulation whose results are consistent with those of the analysis. The results also suggest a lower phase noise of the proposed PLL compared with the conventional one.
Chemistry of nebulae around binary post-AGB stars: A molecular survey of mm-wave lines
Authors: Gallardo Cava I. , Bujarrabal V. , Alcolea J. , Gómez-Garrido M. , Santander-García M.
Published: February 2022

Context. There is a class of binary post-asymptotic giant branch (post-AGB) stars that exhibit remarkable near-infrared excess. Such stars are surrounded by Keplerian or quasi-Keplerian disks, as well as extended outflows composed of gas escaping from the disk. This class can be subdivided into disk- and outflow-dominated sources, depending on whether it is the disk or the outflow that represents most of the nebular mass, respectively. The chemistry of this type of source has been practically unknown thus far.

Aims. Our objective is to study the molecular content of nebulae around binary post-AGB stars that show disks with Keplerian dynamics, including molecular line intensities, chemistry, and abundances.

Methods. We focused our observations on the 1.3, 2, 3 mm bands of the 30mIRAM telescope and on the 7 and 13 mm bands of the 40 m Yebes telescope. Our observations add up ~600 h of telescope time. We investigated the integrated intensities of pairs of molecular transitions for CO, other molecular species, and IRAS fluxes at 12, 25, and 60 μm. Additionally, we studied isotopic ratios, in particular 17O/18O, to analyze the initial stellar mass, as well as 12CO/13CO, to study the line and abundance ratios.

Results. We present the first single-dish molecular survey of mm-wave lines in nebulae around binary post-AGB stars. We conclude that the molecular content is relatively low in nebulae around binary post-AGB stars, as their molecular lines and abundances are especially weaker compared with AGB stars. This fact is very significant in those sources where the Keplerian disk is the dominant component of the nebula. The study of their chemistry allows us to classify nebulae around AC Her, the Red Rectangle, AI CMi, R Sct, and IRAS 20056+1834 as O-rich, while that of 89 Her is probably C-rich. The calculated abundances of the detected species other than CO are particularly low compared with AGB stars. The initial stellar mass derived from the 17O/18O ratio for the Red Rectangle and 89 Her is compatible with the central total stellar mass derived from previous mm-wave interferometric maps. The very low 12CO/13CO ratios found in binary post-AGB stars reveal a high 13CO abundance compared to AGB and other post-AGB stars.
Study on the applicability of potentially probiotic strain Lactobacillus plantarum L4 to be included in the development of strategies for bio-preservation of food products
Authors: Denkova Zapryana , Goranov Bogdan , Denkova-Kostova Rositsa , Degraeve Pascal , Kostov Georgi , Oulahal Nadia
Published: February 2022

The antimicrobial activity of potentially probiotic strains is important for their possible application in the development of successful strategies for bio-preservation of different foods. The antimicrobial activity of the potentially probiotic strain Lactobacillus plantarum L4 against the pathogenic bacteria Salmonella abony; Staphylococcus aureus; Escherichia coli and the phytopathogenic fungi Aspergillus niger and Aspergillus flavus was determined using agar-diffusion assay with wells. Lb. plantarum L4 exhibited high antagonistic activity against all test microorganisms included in the study, which was due not only to the production and accumulation of lactic acid and other organic acids, but also to the production of other bioactive substances. The bioactive substances were then submitted to the action of different enzymes. This allowed to observe that they have protein nature, suggesting that they are likely bacteriocins or bacteriocin-like substances. The substances produced by Lb. plantarum L4 did not lose their antimicrobial activity during heat treatment at temperatures above 100 °С for 15 min and they exhibited high inhibitory activity against the test-microorganisms when pH ranged between 4 and 7. After further examination of the properties of the produced antimicrobial compounds, Lb. plantarum L4 can be used in the development of strategies for bio-preservation of different food products.