bluuebunny/crossref_metadata_2025 huggingface dataset:
Relationship between wettability of pulp fibers and tensile strength of paper during recycling
Authors: Jin Hailan , Kose Ryota , Akada Nobushige , Okayama Takayuki
Published: January 2022

The wettability of the paper surface is greatly affected by the wettability of the pulp fibers. We conducted this study in order to understand the relationship between the wettability of a single fiber of recycled pulp and the strength of recycled paper, as well as the inter-fiber bonding strength. The contact angle was determined from a series of photographs of the pulp fiber and the water silhouettes at the point of contact. The contact line and profile history were continuously photographed in every 1 s after the initial contact. The recycled softwood kraft pulp fibers were clearly much less hydrophilic than the original fibers, regardless of whether the fibers had been bleached or not. The contact angle of the original chemi-thermomechanical pulp fiber was much higher than that of the original softwood bleached kraft pulp fiber. Furthermore, increased number of recycling decreased the contact angle of the chemi-thermomechanical pulp fiber. The Page equation was used to evaluate the strength contributions of single fiber and fiber–fiber bonding to tensile strength of paper. As a result, an increase in weakness factor of fiber–fiber bonding strength was obtained for the recycled softwood kraft pulp handsheet. On the other hand, the weakness factor of the original chemi-thermomechanical pulp handsheet decreased with recycling. In addition, the weakness factor of fiber–fiber bonding strength and the contact angles of the provided softwood bleached kraft pulp fibers bore a proportional relationship to each other.
Species characteristics and cultural value of stone wall trees in the urban area of Macao
Authors: Chen Meisi , Huang Songyi , Chen Zheng , Xing Yemiao , Xing Fuwu , Leong KunFong , Yang Yaonan , Qiu Yuan , Qin Xinsheng
Published: January 2022

The stone walls remaining in the highly urbanized Macao area provide a special habitat for plants, repair the fragmentation of the habitat caused by urbanization, and enhance the urban biodiversity. The main object of this survey are stone wall trees in Macao. The species composition, frequency of occurrence and distribution were ascertained, and the feasibility of establishing stone wall tree landscape trail systems was discussed. The results showed that there were 96 stone wall trees in Macao. Among them, 47.9% of the total in the historical center of Macao. In addition, research and analysis on the species composition, life form, frequency and similarity of the associated plants of stone wall trees were analyzed. The survey found that there were 101 species of companion plants, and herbaceous plants had the greatest growth advantage. Most of the companion species were selective and incidental to the stone wall habitat; the similarity of the companion plants in different habitats was less than 0.25, showing that the stone wall was conducive to species diversity. The results of this research aim to explore planning strategies for holistic conservation of stone wall landscape, and provide a theoretical basis for studying the biodiversity of special habitats in Macao.
Influence of adiponectin and inflammatory cytokines in fatty degenerative atrophic muscle
Authors: Shinohara Issei , Kataoka Takeshi , Mifune Yutaka , Inui Atsuyuki , Sakata Ryosuke , Nishimoto Hanako , Yamaura Kohei , Mukohara Shintaro , Yoshikawa Tomoya , Kato Tatsuo , Furukawa Takahiro , Matsushita Takehiko , Kuroda Ryosuke
Published: January 2022

Tendon rupture and nerve injury cause fatty infiltration of the skeletal muscle, and the adipokines secreted from the infiltrated adipocytes are known to contribute to chronic inflammation. Therefore, in this study, we evaluated the effects of the adipokines on chronic inflammation using a rat sciatic nerve-crushed injury model. In vitro and in vivo experiments showed that the expression of adiponectin was decreased (0.3-fold) and the expression of Il6 (~ 3.8-fold) and Tnf (~ 6.2-fold) was increased in the nerve-crushed group compared to that in the control group. It was also observed that the administration of an adiponectin receptor agonist decreased the levels of Il6 (0.38-fold) and Tnf (0.28-fold) and improved cellular viability (~ 1.9-fold) in vitro. Additionally, in the fatty infiltrated skeletal muscle, low adiponectin levels were found to be associated with chronic inflammation. Therefore, the local administration of adiponectin receptor agonists would prevent chronic inflammation.
Metabolome analysis of key genes for synthesis and accumulation of triterpenoids in Wolfiporia cocos
Authors: Zeng GuiPing , Li Zhong , Zhao Zhi
Published: January 2022

Triterpenoid, the active ingredient in the dried sclerotia of Wolfiporia cocos, has a variety of pharmacological effects. The focus of this research was the cell engineered bacteria modified for triterpenoid biosynthesis, and we aimed to identify the key genes involved in triterpenoid biosynthesis and their roles. Two monospora strains, H and L, were selected from the sexually propagated progeny of W. coco strain 5.78, and their mycelia were cultured for 17, 34, and 51 days. Metabolite analysis showed that there were significantly more down-regulated metabolites of the two strains at three different culture periods than up-regulated metabolites. KEGG indicated that the differential metabolites were mainly concentrated in sterol biosynthesis and ABC transport. STEM analysis suggested that polysaccharide synthesis and accumulation might be greater in the L strain than the H strain. The correlation analysis of DEGs and differential metabolites between the two strain groups showed that erg11 and FDPS, which were closely positively correlated with differential metabolites associated with triterpenoids, were highly expressed in the L strain. This result suggested that the high expression of some genes in the L strain might shunt precursor substances of triterpenoids, which was the possible reason for the decrease in the synthesis and accumulation of triterpenoids.
Fixel based analysis of white matter alterations in early stage cerebral small vessel disease
Authors: Petersen Marvin , Frey Benedikt M. , Mayer Carola , Kühn Simone , Gallinat Jürgen , Hanning Uta , Fiehler Jens , Borof Katrin , Jagodzinski Annika , Gerloff Christian , Thomalla Götz , Cheng Bastian
Published: January 2022

Cerebral small vessel disease (CSVD) is a common cause of morbidity and cognitive decline in the elderly population. However, characterizing the disease pathophysiology and its association with potential clinical sequelae in early stages is less well explored. We applied fixel-based analysis (FBA), a novel framework of investigating microstructural white matter integrity by diffusion-weighted imaging, to data of 921 participants of the Hamburg City Health Study, comprising middle-aged individuals with increased cerebrovascular risk in early stages of CSVD. In individuals in the highest quartile of white matter hyperintensity loads (n = 232, median age 63 years; IQR 15.3 years), FBA detected significantly reduced axonal density and increased atrophy of transcallosal fiber tracts, the bilateral superior longitudinal fasciculus, and corticospinal tracts compared to participants in the lowest quartile of white matter hyperintensities (n = 228, mean age 55 years; IQR 10 years). Analysis of all participants (N = 921) demonstrated a significant association between reduced fiber density and worse executive functions operationalized by the Trail Making Test. Findings were confirmed by complementary analysis of diffusion tensor metrics.
Sounds of COVID-19: exploring realistic performance of audio-based digital testing
Authors: Han Jing , Xia Tong , Spathis Dimitris , Bondareva Erika , Brown Chloë , Chauhan Jagmohan , Dang Ting , Grammenos Andreas , Hasthanasombat Apinan , Floto Andres , Cicuta Pietro , Mascolo Cecilia
Published: January 2022

To identify Coronavirus disease (COVID-19) cases efficiently, affordably, and at scale, recent work has shown how audio (including cough, breathing and voice) based approaches can be used for testing. However, there is a lack of exploration of how biases and methodological decisions impact these tools’ performance in practice. In this paper, we explore the realistic performance of audio-based digital testing of COVID-19. To investigate this, we collected a large crowdsourced respiratory audio dataset through a mobile app, alongside symptoms and COVID-19 test results. Within the collected dataset, we selected 5240 samples from 2478 English-speaking participants and split them into participant-independent sets for model development and validation. In addition to controlling the language, we also balanced demographics for model training to avoid potential acoustic bias. We used these audio samples to construct an audio-based COVID-19 prediction model. The unbiased model took features extracted from breathing, coughs and voice signals as predictors and yielded an AUC-ROC of 0.71 (95% CI: 0.65–0.77). We further explored several scenarios with different types of unbalanced data distributions to demonstrate how biases and participant splits affect the performance. With these different, but less appropriate, evaluation strategies, the performance could be overestimated, reaching an AUC up to 0.90 (95% CI: 0.85–0.95) in some circumstances. We found that an unrealistic experimental setting can result in misleading, sometimes over-optimistic, performance. Instead, we reported complete and reliable results on crowd-sourced data, which would allow medical professionals and policy makers to accurately assess the value of this technology and facilitate its deployment.
MITF activity is regulated by a direct interaction with RAF proteins in melanoma cells
Authors: Estrada Charlène , Mirabal-Ortega Liliana , Méry Laurence , Dingli Florent , Besse Laetitia , Messaoudi Cedric , Loew Damarys , Pouponnot Celio , Bertolotto Corine , Eychène Alain , Druillennec Sabine
Published: January 2022

The MITF transcription factor and the RAS/RAF/MEK/ERK pathway are two interconnected main players in melanoma. Understanding how MITF activity is regulated represents a key question since its dynamic modulation is involved in the phenotypic plasticity of melanoma cells and their resistance to therapy. By investigating the role of ARAF in NRAS-driven mouse melanoma through mass spectrometry experiments followed by a functional siRNA-based screen, we unexpectedly identified MITF as a direct ARAF partner. Interestingly, this interaction is conserved among the RAF protein kinase family since BRAF/MITF and CRAF/MITF complexes were also observed in the cytosol of NRAS-mutated mouse melanoma cells. The interaction occurs through the kinase domain of RAF proteins. Importantly, endogenous BRAF/MITF complexes were also detected in BRAF-mutated human melanoma cells. RAF/MITF complexes modulate MITF nuclear localization by inducing an accumulation of MITF in the cytoplasm, thus negatively controlling its transcriptional activity. Taken together, our study highlights a new level of regulation between two major mediators of melanoma progression, MITF and the MAPK/ERK pathway, which appears more complex than previously anticipated.
Recollision of excited electron in below-threshold nonsequential double ionization
Authors: Hao Xiaolei , Bai Yuxing , Li Chan , Zhang Jingyu , Li Weidong , Yang Weifeng , Liu Mingqing , Chen Jing
Published: January 2022

Recollision is the most important post-tunneling process in strong-field physics, but so far has been restricted to interaction between the first ionized electron and the residual ion in nonsequential double ionization. Here we identify the role of recollision of the second ionized electron in the below-threshold nonsequential double ionization process by introducing a Coulomb-corrected quantum-trajectories method. We will reproduce the experimentally observed cross-shaped and anti-correlated patterns in correlated two-electron momentum distributions, and the transition between them. Both the cross-shaped and anti-correlated patterns are attributed to recolliding trajectories of the second electron. The effect of recollision of the second electron is significantly enhanced by the stronger Coulomb potential of the higher valence residual ion, and is further strengthened by the recapture process of the second electron. Our work paves a potential way to image ultrafast dynamics of atoms and molecules in intense laser field.
Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces
Authors: Chaudhuri Shayantan , Hall Samuel J. , Klein Benedikt P. , Walker Marc , Logsdail Andrew J. , Macpherson Julie V. , Maurer Reinhard J.
Published: January 2022

Diamond-based materials have unique properties that are exploited in many electrochemical, optical, thermal, and quantum applications. When grown via chemical vapor deposition (CVD), the growth rate of the (110) face is typically much faster than the other two dominant crystallographic orientations, (111) and (100). As such, achieving sufficiently large-area and high-quality (110)-oriented crystals is challenging and typically requires post-growth processing of the surface. Whilst CVD growth confers hydrogen terminations on the diamond surface, the majority of post-growth processing procedures render the surface oxygen-terminated, which in turn impacts the surface properties of the material. Here, we determine the oxygenation state of the (110) surface using a combination of density functional theory calculations and X-ray photoelectron spectroscopy experiments. We show that in the 0–1000 K temperature range, the phase diagram of the (110) surface is dominated by a highly stable phase of coexisting and adjacent carbonyl and ether groups, while the stability of peroxide groups increases at low temperatures and high pressures. We propose a mechanism for the formation of the hybrid carbonyl-ether phase and rationalize its high stability. We further corroborate our findings by comparing simulated core-level binding energies with experimental X-ray photoelectron spectroscopy data on the highest-quality (110)-oriented diamond crystal surface reported to date.
A water-soluble iron-porphyrin complex capable of rescuing CO-poisoned red blood cells
Authors: Droege Daniel G. , Johnstone Timothy C.
Published: January 2022

A bulky, water-soluble iron-porphyrin compound has been prepared that binds CO, sequesters CO from COHb, and rescues CO-poisoned red blood cells. As such, it can serve as the basis for the development of a small-molecule CO poisoning antidote.
Tumor microenvironment activated nanoenzyme-based agents for enhanced MRI-guided photothermal therapy in the NIR-II window
Authors: Chen Ying , Liu Yong , Kuang Peipei , Guo Chunmei , Zan Jiahui , Xie Chen , Yin Chao , Fan Quli
Published: January 2022

The formation of a dimer under the catalysis of a nanoenzyme in TME causes photothermal conversion activation and MRI signal amplification simultaneously.
Exploring the role of polymer hydrophobicity in polymer–metal binding thermodynamics
Authors: Archer William R. , Gallagher Connor M. B. , Vaissier Welborn V. , Schulz Michael D.
Published: January 2022

We used isothermal titration calorimetry and atomistic simulations to probe polymer–metal–water interactions in rare-earth element chelation. Varying polymer hydrophobicity produced large changes in heat capacity, driven by changes in desolvation.
Two-dimensional titanium carbide (Ti3C2Tx) MXenes to inhibit the shuttle effect in sodium sulfur batteries
Authors: Thatsami N. , Tangpakonsab P. , Moontragoon P. , Umer R. , Hussain T. , Kaewmaraya T.
Published: January 2022

Room-temperature sodium sulfur batteries (RT-NSBs) are among the promising candidates for large-scale energy storage applications because of the natural abundance of the electrode materials and impressive energy density.
Aromatization as the driving force for single electron transfer towards C–C cross-coupling reactions
Authors: Dey Dhananjay , Kundu Abhishek , Roy Monojit , Pal Subhankar , Adhikari Debashis
Published: January 2022

Dihydrophenazine upon deprotonation behaves as an initiator to steer cross-coupling reactions under visible-light conditions. The single electron transfer is driven by the aromaticity gained during the process.
Nitric oxide generation study of unsymmetrical β-diketiminato copper(ii) nitrite complexes
Authors: Chand Kuldeep , Chu Yu-Cheng , Wang Tzai-Wei , Kao Chai-Lin , Lin Ya-Fan , Tsai Ming-Li , Hsu Sodio C. N.
Published: January 2022

An investigation into the role of the pyridyl arm in the reduction of nitrite via OAT in unsymmetrical β-diketiminato copper(ii) nitrite complexes.
Oxidative potential of solvent-extractable organic matter of ambient total suspended particulate in Bangkok, Thailand
Authors: Wang Jiaqi , Zhao Shizhen , Jiang Haoyu , Geng Xiaofei , Li Jun , Mao Shuduan , Ma Shexia , Bualert Surat , Zhong Guangcai , Zhang Gan
Published: January 2022

This study creatively combined the molecular markers with the source apportionment model, to identify and quantify sources contributing to the oxidative potential of particulate matter in Bangkok, skipping over the inherent mechanism.
Elucidating heterogeneous iron biomineralization patterns in a denitrifying As(iii)-oxidizing bacterium: implications for arsenic immobilization
Authors: Lopez-Adams Rebeca , Fairclough Simon M. , Lyon Ian C. , Haigh Sarah J. , Zhang Jun , Zhao Fang-Jie , Moore Katie L. , Lloyd Jonathan R.
Published: January 2022

Anaerobic nitrate-dependent iron(ii) oxidation is a process common to many bacterial species, which promotes the formation of Fe(iii) minerals that can influence the fate of soil and groundwater pollutants, such as arsenic.
Allicin suppressed Escherichia coli-induced urinary tract infections by a novel MALT1/NF-κB pathway
Authors: Chang Zhenglin , An Lingyue , He Zhican , Zhang Yuyan , Li Shujue , Lei Min , Xu Peng , Lai Yongchang , Jiang Zheng , Huang Yapeng , Duan Xiaolu , Wu Wenqi
Published: January 2022

Our experiments revealed that the therapeutic effects of allicin against E. coli induced urinary inflammation were characterized by the restoration of the highly expressed MALT1, the activated AKT/NF-κB pathway, and excessive release of cytokines.
Distribution of tyrosol fatty acid esters in the gastrointestinal tracts of mice and their hydrolysis characteristics by gut microbiota
Authors: Wang Xinmiao , Chen Kefan , Wang Sijia , Wang Qian , Hu Yuanyuan , Yin Fawen , Liu Xiaoyang , Zhou Dayong
Published: January 2022

Phenolic lipids have been approved as safe and effective antioxidants, and are a potential ingredient for functional foods.
A facile and economic electrochemical sensor for methylmalonic acid: a potential biomarker for vitamin B12 deficiency
Authors: Rajeev Rijo , Benny Libina , Roy Moulisha , Mathew Agnus T. , Akshaya K. B. , Varghese Anitha , Hegde Gurumurthy
Published: January 2022

A facile and cost-effective method based on a modified pencil graphite electrode (PGE) has been developed for sensing of methylmalonic acid (MMA). The fabricated sensor showed a linear dynamic range (0.50 pM–55 nM) and a LOD of (0.16 pM).
Electrical and thermal stimulus-responsive nanocarbon-based 3D hydrogel sponge for switchable drug delivery
Authors: Park Sang-Yu , Kang Ji-Hye , Kim Han-Sem , Hwang Ji-Young , Shin Ueon Sang
Published: January 2022

The CNT sponge-based 3D frame hydrogel showed remarkable responses to electrical and thermal stimuli, exhibited excellent controllable/switchable drug delivery, and has great potential in biomedical engineering and medicine applications.
High affinity protein surface binding through co-engineering of nanoparticles and proteins
Authors: Ray Moumita , Brancolini Giorgia , Luther David C. , Jiang Ziwen , Cao-Milán Roberto , Cuadros Alejandro M. , Burden Andrew , Clark Vincent , Rana Subinoy , Mout Rubul , Landis Ryan F. , Corni Stefano , Rotello Vincent M.
Published: January 2022

Supercharged proteins provide a strategy for high-affinity nanoparticle-protein binding at high ionic strength.
Porosity regulation of metal–organic frameworks for high proton conductivity by rational ligand design: mono- versus disulfonyl-4,4′-biphenyldicarboxylic acid
Authors: Zhang Shunlin , Xie Yuxin , Yang Mengrui , Zhu Dunru
Published: January 2022

Three 3D MOFs, (Me2NH2)2(H3O)[LnL2]·8H2O (Ln = Eu, Gd, Tb), based on 2-sulfonyl-4,4′-biphenyldicarboxylic acid (H3L) have been prepared which show a high proton conductivity under low relative humidity.
Calcium vapor synthesis of extremely coercive SmCo5
Authors: Baker Sarah E. , Baker Alexander A. , Orme Christine A. , Worthington Matthew A. , Li Tian T. , Sedillo Edwin M. , Dudoff Jessica , Lee Jonathan R. I. , Kuntz Joshua D. , McCall Scott K.
Published: January 2022

Greenbodies of SmCoO prior to conversion to SmCo5 and magnetometry showing excellent hard magnetic properties, resilient to >600 °C.
Surface interaction between phyllosilicate particles and sustainable polymers in flotation and flocculation
Authors: Molaei Nahid , Shoaib Mohammad , Forster John , Khan Shaihroz , Wani Omar Bashir , Bobicki Erin R.
Published: January 2022

Biopolymers with different backbones have the potential to disperse the phyllosilicate particles in flotation or release the water trapped within tailing particles in flocculation and could decrease environmental problems of conventional reagents.
Potential outstanding physical properties of novel black arsenic phosphorus As0.25P0.75/As0.75P0.25 phases: a first-principles investigation
Authors: Liu Fangqi , Zhang Xiaolin , Gong Pengwei , Wang Tongtong , Yao Kailun , Zhu Sicong , Lu Yan
Published: January 2022

In this study, we design seven stable phases of As0.25P0.75 and As0.75P0.25, focusing on their electrical and thermal properties through first-principles calculations.
Study on the mechanism of laccase-catalyzed polydopamine rapid dyeing and modification of silk
Authors: Zhou Qingqing , Wu Wen , Xing Tieling
Published: January 2022

Dopamine oligomers are easily combined with amorphous regions of silk fibroin, they can form hydrogen bonds and π–π stacking interactions, and undergo Michael addition reactions. The oligomers will aggregate in the process.
Iron catalyzed C–C dehydrogenative coupling reaction: synthesis of arylquinones from quinones/hydroquinones
Authors: Dong Yu , Xie Chun , Chen Jia , Shen Ai , Luo Qi-Qi , He Bing , Wang Zhi-Fan , Chang Bo , Yang Fan , Shi Zhi-Chuan
Published: January 2022

The synthesis of arylquinones was achieved via direct oxidative C–H/C–H cross-coupling of quinones/hydroquinones with electron-rich arenes using Fe–I2–(NH4)2S2O8 system involving quinones/hydroquinones to give high yields (60–89%) of arylquinones.
Stability and fundamental properties of CuxO1−x as optoelectronic functional materials
Authors: Fan Wei-Tao , Zhao Zong-Yan , Shen Hong-Lie
Published: January 2022

The temperature and oxygen partial pressure leads binary CuxO1−x compounds to have different stoichiometric ratios, resulting in different fundamental physical properties for optoelectronic functional applications.
Genomic DNA-mediated formation of a porous Cu2(OH)PO4/Co3(PO4)2·8H2O rolling pin shape bifunctional electrocatalyst for water splitting reactions
Authors: Singh Harjinder , Ahmed Imtiaz , Biswas Rathindranath , Mete Shouvik , Halder Krishna Kamal , Banerjee Biplab , Haldar Krishna Kanta
Published: January 2022

Among the accessible techniques, the production of hydrogen by electrocatalytic water oxidation is the most established process, which comprises oxygen evolution reaction (OER) and hydrogen evolution reaction (HER).
A homogeneous high-DAR antibody–drug conjugate platform combining THIOMAB antibodies and XTEN polypeptides
Authors: Zacharias Neelie , Podust Vladimir N. , Kajihara Kimberly K. , Leipold Douglas , Del Rosario Geoffrey , Thayer Desiree , Dong Emily , Paluch Maciej , Fischer David , Zheng Kai , Lei Corinna , He Jintang , Ng Carl , Su Dian , Liu Luna , Masih Shabkhaiz , Sawyer William , Tinianow Jeff , Marik Jan , Yip Victor , Li Guangmin , Chuh Josefa , Morisaki J. Hiroshi , Park Summer , Zheng Bing , Hernandez-Barry Hilda , Loyet Kelly M. , Xu Min , Kozak Katherine R. , Phillips Gail Lewis , Shen Ben-Quan , Wu Cong , Xu Keyang , Yu Shang-Fan , Kamath Amrita , Rowntree Rebecca K. , Reilly Dorothea , Pillow Thomas , Polson Andrew , Schellenberger Volker , Hazenbos Wouter L. W. , Sadowsky Jack
Published: January 2022

Efficiency of targeted cell delivery of small molecules was enhanced in cells and animals via a novel well-defined bioconjugation platform combining site-specific antibody conjugation and XTEN polypeptides to enable high payload loading.
Intramolecular thiomaleimide [2 + 2] photocycloadditions: stereoselective control for disulfide stapling and observation of excited state intermediates by transient absorption spectroscopy
Authors: Malde Roshni , Parkes Michael A. , Staniforth Michael , Woolley Jack M. , Stavros Vasilios G. , Chudasama Vijay , Fielding Helen H. , Baker James R.
Published: January 2022

Tethered bromomaleimides are described which undergo thiol conjugation and rapid regio- and stereoselective photocycloadditions to serve as disulfide staples; with the excited state intermediates observed by transient absorption spectroscopies.
Towards a protein-selective Raman enhancement by a glycopolymer-based composite surface
Authors: Gu Chuan , Shan Fangjian , Zheng Lifang , Zhou Yue , Hu Jun , Chen Gaojian
Published: January 2022

SERS substrates have been prepared by using dopamine-containing glycopolymers. By utilizing the characteristic interaction of a carbohydrate and lectin, the specific protein can be selectively adsorbed, thus realizing selective Raman enhancement.
Self-assembly of Fmoc-amino acids in capillary confined space forming a parallel ordered fiber network for application in vascularization
Authors: Dong Qianqian , Wang Meiyue , Wang Anhe , Yu Chunjing , Bai Shuo , Yin Jian , You Qingjun
Published: January 2022

In this work, capillary tubes with different diameters were chosen to mimic a confined environment and the effect of space on the self-assembly behavior of short peptides with different oil-water partition coefficients (log P) was investigated.
Improvement of limit of detection sensitivities in the parts per billion range using conventional geometry synchrotron radiation excited EDXRF measurements
Authors: Alam Md. Akhlak , Tiwari M. K. , Trivedi Ayushi , Khooha Ajay , Singh A. K.
Published: January 2022

The use of a thin polymer foil as a sample carrier in the EDXRF technique may provide elemental detection limits comparable to the TXRF technique.
Early Productive Vocabulary Composition as Precursor of Dyslexia
Authors: Maassen Ben A. M. , Krikhaar Evelien , van der Leij Aryan , Fikkert Paula
Published: January 2022

Purpose:

The aim of this study was to gain more insight into the linguistic characterization of dyslexia by investigating vocabulary acquisition. In a previous study, vocabulary at 17 months of age appeared to be related to familial risk (FR) of dyslexia. The aim of this study was to investigate how the differences in lexical composition further develop up to 3 years (35 months) of age and, more importantly, to what extent these differences can be considered specific precursors of dyslexia later on.

Method:

In a total number of 262 children from the Dutch Dyslexia Program, 169 with and 93 without FR for dyslexia, productive vocabulary was assessed with the Dutch version of the MacArthur Communicative Development Inventories at ages 17, 23, 29, and 35 months. Reading tests were administered in Grades 2 and 3, resulting in dyslexia diagnosis in 60 FR children (FR-dys), leaving 109 FR children who developed normal reading skills (FR-nondys) and 93 control children. Children's expressive vocabulary was scored according to the total number of words produced and according to the different major linguistic word categories: nouns, predicates, and closed-class words. The analyses comprised a comparison of total productive vocabulary and the number of words per grammatical category at four different ages for the three groups (FR-dys, FR-nondys, and control). Also, correlations were calculated between vocabulary scores and reading scores.

Results:

Up to 29 months of age, the total numbers of nouns, predicates, and closed-class words are significantly lower for the FR-dys group as compared with the FR-nondys and control groups; for closed-class words at 23 and 35 months of age, the FR-nondys group's mean values are in between the mean of the FR-dys and control groups. Weak correlations were found between total vocabulary size, number of verbs, number and proportion of predicates at 23 months of age, and word and pseudoword reading fluency in Grades 2 and 3.

Conclusions:

These results indicate that development of vocabulary is a significant though weak predictor of reading fluency and dyslexia; vocabulary size and proportion of verbs at 23 months of age, as well as proportion of closed-class words up to 35 months of age, seem to be the most sensitive indicators of delayed vocabulary development and later reading difficulties. There is no indication that FR for dyslexia by itself is related to vocabulary development.
3D hydrodynamical simulations of the impact of mechanical feedback on accretion in supersonic stellar-mass black holes
Authors: Bosch-Ramon V.
Published: January 2022

Context. Isolated stellar-mass black holes accrete gas from their surroundings, often at supersonic speeds, and can form outflows that may influence the accreted gas. The latter process, known as mechanical feedback, can significantly affect the accretion rate.

Aims. We use hydrodynamical simulations to assess the impact of mechanical feedback on the accretion rate when the black hole moves supersonically through a uniform medium.

Methods. We carried out three-dimensional (3D) hydrodynamical simulations of outflows fueled by accretion that interact with a uniform medium, probing scales equivalent to and larger than the accretor gravitational sphere of influence. In the simulations, the accretor is at rest and the medium moves at supersonic speeds. The outflow power is assumed to be proportional to the accretion rate. The simulations were run for different outflow-medium motion angles and velocity ratios. We also investigated the impact of different degrees of outflow collimation, accretor size, and resolution.

Results. In general, the accretion rate is significantly affected by mechanical feedback. There is a minor reduction in accretion for outflows perpendicular to the medium motion, but the reduction quickly becomes more significant for smaller angles. Moreover, the decrease in accretion becomes greater for smaller medium-to-outflow velocity ratios. On the other hand, the impact of outflow collimation seems moderate. Mechanical feedback is enhanced when the accretor size is reduced. For a population of black holes with random outflow orientations, the average accretion rate drops by (low–high resolution) ∼0.2 − 0.4 and ∼0.1 − 0.2 for medium-to-outflow velocity ratios of 1/20 and 1/100, respectively, when compared to the corresponding cases without outflow.

Conclusions. Our results strongly indicate that on the considered scales, mechanical feedback can easily reduce the energy available from supersonic accretion by at least a factor of a few. This aspect should be taken into account when studying the mechanical, thermal, and non-thermal output of isolated black holes.
Hausdorff moment problem and nonlinear time optimality
Authors: Sklyar G.M. , Ignatovich S. Yu.
Published: January 2022

A complete analytic solution for the time-optimal control problem for nonlinear control systems of the form ẋ1 = u, ẋj = ẋ1j−1, j = 2, …, n, is obtained for arbitrary n. In the paper we present the following surprising observation: this nonlinear optimality problem leads to a truncated Hausdorff moment problem, which gives analytic tools for finding the optimal time and optimal controls. Being homogeneous, the mentioned system approximates affine systems from a certain class in the sense of time optimality. Therefore, the obtained results can be used for solving the time-optimal control problem for systems from this class.
Referral Patterns of Outpatient Palliative Care among the Head and Neck Cancer Population
Authors: Saravia Ari , Kong Keonho Albert , Roy Ryan , Barry Rachel , Guidry Christine , McDaniel Lee S. , Raven Mary C. , Pou Anna M. , Mays Ashley C.
Published: January 2022

Introduction Patients with head and neck cancer (HNC) experience unique physical and psychosocial challenges that impact their health and quality of life. Early implementation of palliative care has been shown to improve various health care outcomes.

Objective The aim of the present study was to evaluate the patterns of referral of patients with HNC to outpatient palliative care as they relate to utilization of resources and end-of-life discussions.

Methods We performed a retrospective review of 245 patients with HNC referred to outpatient palliative care services at two Louisiana tertiary care centers from June 1, 2014, to October 1, 2019. The control group consisted of those that were referred but did not follow-up. Reasons for referral were obtained, and outcome measures such as emergency department (ED) visits, hospital readmissions, and advance care planning (ACP) documentation were assessed according to predictive variables.

Results There were 177 patients in the treatment group and 68 in the control group. Patients were more likely to follow up to outpatient palliative care services if referred for pain management. Hospital system, prior inpatient palliative care, and number of outpatient visits were associated with an increased likelihood for ED visits and hospital readmissions. Those in the palliative care treatment group were also more likely to have ACP discussions.

Conclusion Early implementation of outpatient palliative care among patients with HNC can initiate ACP discussions. However, there are discrepancies in referral reasons to palliative care and continued existing barriers to its effective utilization.
Brightening of dark excitons in single-walled carbon nanotubes: Investigation by many-body Green’s function theory
Authors: Yin Huabing , Liu Yaru , Ma Yuchen
Published: January 2022

Optical excitations of the hybrids, which are assembled by coupling single-walled carbon nanotubes (SWCNTs) with organic molecules through van der Waals interactions, are studied using ab initio manybody Green’s function theory. We take the semiconducting (7,0) SWCNT, the squarylium and oligothiophene molecules as the example. The E11 and E22 absorption peaks of the (7,0) tube can be redshifted by tens of meV. Most importantly, the lowest dark exciton of the (7,0) tube at the lower-energy side of E11 can be brightened by the interaction between the nanotube and molecules. Position of this new satellite absorption peak is influenced by the type of adsorbed molecule. These findings may be useful for tuning the emission energy and emission efficiency of CNTs.
Wave-like emission propagation and fine structures at the contact points of adjacent dielectric pellets in packed bed plasma reactors (PBPRs) operated in helium
Authors: Mujahid Zaka-ul-islam , Schulze Julian
Published: January 2022

Packed bed plasma reactors (PBPRs) inherently have complex geometries where the volume between the electrodes is filled with dielectric/catalytic pellets to form a large array of voids. While the dimension of the plasma region can be several centimeters, the size of a single void at the edges and pores of dielectrics/pellets can reach micrometer dimensions. The understanding of plasma propagation on these diverse length scales is essential for optimizing and controlling plasma processes performed in such discharges. It is known that plasmas are generated in PBPRs as multiple pulses due to cathode-directed positive streamers in the volume, surface ionization waves, or surface streamers over the dielectric surface and stationary microdischarges at the contact points of adjacent dielectrics. In this work, we have investigated the discharge formation and propagation as a function of applied voltage in simplified PBPRs with a single layer of hexagonally arranged hemispherical pellets, operated in helium, using phase and space resolved optical emission spectroscopy. Despite similar discharge conditions at multiple positions, the emission intensity during each pulse spreads like a wave from the center to the edges in the whole discharge cell. The emission due to surface ionization waves is significantly reduced compared to earlier works. These observations could be explained by possible interactions between adjacent microdischarges, already known in other arrays of microdischarges or adjacent streamers. Higher resolution images of the contact points show that the discharge has fine structures with stronger emission at the edges of the contact points; this effect is enhanced as a function of the driving voltage amplitude. This is possibly the consequence of non-uniform electric field distribution at the contact points due to the polarization of dielectrics.
Anisotropic surface state in a topological semimetal candidate Ta3SiTe6
Authors: Li Yunlong , Ran Zhao , Jiang Wenxiang , Jing Qiang , Hu Jiayuan , Luo Weidong , Qian Dong
Published: January 2022

Using high-resolution angle-resolved photoemission spectroscopy, we studied the surface state of Ta3SiTe6, a candidate of topological semimetal protected by nonsymmorphic symmetry. Through photon-energy dependent measurements, the surface state near the Fermi level was detected. By determining the band dispersions, we found that the surface state is topological trivial. Around the surface Brillouin zone center, the surface bands disperse linear-like, forming a band crossing (zero energy gap) point at about 0.2 eV below the Fermi level. In Ta3SiTe6's rectangular surface Brillouin zone, the surface bands only cross the Fermi level along one axis, forming two hole-like Fermi pockets near surface Brillouin zone boundaries. Although the observed surface state is not topological, we proposed that its anisotropic Fermi surface topography could be potentially useful for future applications.
Positive and negative signal and line shape in stimulated Raman spectroscopy: Resonance femtosecond Raman spectra of diphenylbutadiene
Authors: Dobryakov A. L. , Krohn O. A. , Quick M. , Ioffe I. N. , Kovalenko S. A.
Published: January 2022

Resonance stimulated Raman signal and line shape are evaluated analytically under common electronic/vibrational dephasing and exponential Raman/probe pulse, exp(−|t|/τ). Generally, the signal from a particular state includes contributions from higher and lower electronic states. Thus, with S0 → S1 actinic excitation, the Raman signal consists of 15 Feynman diagrams entering with different signs. The negative sign indicates vibrational coherences in S1 or higher Sn, whereas the positive sign reveals coherences in S0 or Sn via S1 → Sn → Sm (n < m) coupling. The signal complexity is in contrast to spontaneous Raman with its single diagram only. The results are applied to femtosecond stimulated Raman spectra of trans–trans, cis–trans (ct), and cis–cis (cc) 1,4-diphenyl-1,3-butadiene, the ct and cc being reported for the first time. Upon actinic excitation, the Stokes spectra show negative bands from S1 or Sn. When approaching higher resonances Sn → Sm, some Raman bands switch their sign from negative to positive, thus, indicating new coherences in Sn. The results are discussed, and the measured Raman spectra are compared to the computed quantum-chemical spectra.
Crosslinking-modulated direct-current conductivity of XLPE-PS composite via charge trap characteristics
Authors: Cao Liang , Zhong Lisheng , Li Yinge , Li Wenpeng , Gao Jinghui , Xu Lingna , Chen George
Published: January 2022

Low direct-current (DC) conductivity is one of the most desired characteristics for crosslinked polyethylene (XLPE) as a high-voltage DC cable insulation material. In this Letter, a correlation between the DC conductivity and cross-linking characteristics of XLPE-polystyrene (PS) composites at 50 °C was studied. Experimental results show that by adjusting the cross-linking structure, different trap distribution characteristics for XLPE-PS composites were realized. With the increase in the cross-linking agent content, DC conductivities of XLPE-PS composites tend to decrease, and the introduced average trap depth increases correspondingly. An increase of 0.07 eV for average charge trap depth in XLPE-PS composites could be acquired in the test range. It is considered that the increase in the average trap depth reduces the carrier mobility, contributing to the reduction of DC conductivity for XLPE-PS composites. Thus, the DC conductivity and average trap depth of XLPE composites show a strong relevance. The results suggest that the interaction between PS particles and the matrix introduced by cross-linking plays a dominant role in determining the charge conduction for XLPE-PS composites.
Composition-dependent ultrafast THz emission of spintronic CoFe/Pt thin films
Authors: Schneider Robert , Fix Mario , Bensmann Jannis , Michaelis de Vasconcellos Steffen , Albrecht Manfred , Bratschitsch Rudolf
Published: January 2022

We measure the transient THz emission of ultrathin spintronic bilayers composed of a cobalt–iron alloy (CoxFe1−x) and platinum (Pt), depending on the Co content 0 ≤ x ≤ 1. We find that the THz emission amplitude changes only slightly over the entire concentration range, indicating that Fe and Co contribute similarly to the THz generation process. Additionally, we fabricate multilayer stacks and find that the THz amplitude is increased by up to 36% compared to a single bilayer CoFe/Pt spintronic emitter.
Time-resolved spectroscopy of thioflavin T solutions: Asynchronous optical sampling method with two frequency-upconverted mode-locked lasers
Authors: Han Noh Soo , Kim JunWoo , Yoon Tai Hyun , Cho Minhaeng
Published: January 2022

We carried out transient absorption spectroscopy of thioflavin T (ThT) molecules in various solvents employing an asynchronous optical sampling (ASOPS) scheme with dual synchronized and frequency up-converted mode-lock lasers in the near UV (NUV) spectral region. We developed a pair of synchronized femtosecond lasers with tunable center wavelengths ranging from 380 to 430 nm and spectral bandwidths of 30 nm. As a proof-of-principle experiment, we measured interferometrically detected time and frequency-resolved pump–probe signals of ThT in various solvents to study the twisted intramolecular charge transfer process of photo-excited ThT molecules. Both single-color NUV-NUV and two-color NUV-near IR (NIR) pump–probe measurements reveal that the vibronic coupling strengths of two vibrational modes with frequencies of 214 and 526 cm−1 in the excited state of ThT are reduced when ThT is dissolved in a chlorine-containing solvent, e.g., chloroform. We confirm theoretically that these vibrational modes have relatively high electric dipole moments in the excited state. As a result, the intramolecular charge transfer process of ThT in chloroform, which is driven by the solvation process of surrounding polar solvent molecules, could occur less efficiently, which results in an increase in the fluorescence quantum yield. Here, we demonstrate that the NUV-NUV and NUV-NIR ASOPS-transient absorption could be useful techniques for studying ultrafast photochemical reactions in condensed phases.
Correlation between plastic rearrangements and local structure in a cyclically driven glass
Authors: Mitra Saheli , Marín-Aguilar Susana , Sastry Srikanth , Smallenburg Frank , Foffi Giuseppe
Published: January 2022

The correlation between the local structure and the propensity for structural rearrangements has been widely investigated in glass forming liquids and glasses. In this paper, we use the excess two-body entropy S2 and tetrahedrality ntet as the per-particle local structural order parameters to explore such correlations in a three-dimensional model glass subjected to cyclic shear deformation. We first show that for both liquid configurations and the corresponding inherent structures, local ordering increases upon lowering temperature, signaled by a decrease in the two-body entropy and an increase in tetrahedrality. When the inherent structures, or glasses, are periodically sheared athermally, they eventually reach absorbing states for small shear amplitudes, which do not change from one cycle to the next. Large strain amplitudes result in the formation of shear bands, within which particle motion is diffusive. We show that in the steady state, there is a clear difference in the local structural environment of particles that will be part of plastic rearrangements during the next shear cycle and that of particles that are immobile. In particular, particles with higher S2 and lower ntet are more likely to go through rearrangements irrespective of the average energies of the configurations and strain amplitude. For high shear, we find very distinctive local order outside the mobile shear band region, where almost 30% of the particles are involved in icosahedral clusters, contrasting strongly with the fraction of <5% found inside the shear band.
Acoustic metaliners for sound insulation in a duct with little flow resistance
Authors: Oh T. S. , Jeon W.
Published: January 2022

We propose a metaliner that can insulate the duct noise for various grazing flow speeds with little flow resistance. The metaliner, whose unit cell consists of two different Helmholtz resonators with subwavelength scales, is placed underneath the duct. In order to predict sound insulation and absorption of metaliner in a duct with flow, an effective impedance model of the metaliner is established by considering the effect of flow. We present a design procedure for a metaliner with high transmission loss for various flow speeds. Experiments show that designed metaliners exhibit transmission loss above 45 dB/m within ±5% of the target frequencies of 500 and 1000 Hz for different flow speeds of 0, 17, and 34 m/s. We investigate the effects of flow on sound absorption as well as sound insulation for probing the applicability of the metaliner to various environments where noise should be suppressed at both the upstream and downstream sides in the ducts with flow.
ManyHF: A pragmatic automated method of finding lower-energy Hartree–Fock solutions for potential energy surface development
Authors: Győri Tibor , Czakó Gábor
Published: January 2022

Developing global, high-dimensional potential energy surfaces (PESs) is a formidable task. Beside the challenges of PES fitting and fitting set generation, one also has to choose an electronic structure method capable of delivering accurate potential energy values for all geometries in the fitting set, even in regions far from equilibrium. Such regions are often plagued by Hartree–Fock (HF) convergence issues, and even if convergence is achieved, self-consistent field (SCF) procedures that are used to obtain HF solutions offer no guarantee that the solution found is the lowest-energy solution. We present a study of the reactant regions of CH3OH + OH·, C2H6 + F·, and CH3NH2 + Cl·, where the SCF procedure often converges to a higher-energy state or fails to converge, resulting in erratic post-HF energies and regions where no energy is obtained, both of which are major obstacles for PES development. We introduce a pragmatic method for automatically finding better HF solutions (dubbed ManyHF) and present evidence that it may extend the applicability of single-reference methods to some systems previously thought to require multireference methods.