bluuebunny/crossref_metadata_2025 huggingface dataset:
Collapse dynamics and Hilbert-space stochastic processes
Authors: Bajoni Daniele , Nicrosini Oreste , Rimini Alberto , Rodini Simone
Published: November 2021

Spontaneous collapse models of state vector reduction represent a possible solution to the quantum measurement problem. In the present paper we focus our attention on the Ghirardi–Rimini–Weber (GRW) theory and the corresponding continuous localisation models in the form of a Brownian-driven motion in Hilbert space. We consider experimental setups in which a single photon hits a beam splitter and is subsequently detected by photon detector(s), generating a superposition of photon-detector quantum states. Through a numerical approach we study the dependence of collapse times on the physical features of the superposition generated, including also the effect of a finite reaction time of the measuring apparatus. We find that collapse dynamics is sensitive to the number of detectors and the physical properties of the photon-detector quantum states superposition.
Prevalence and characteristics of thoracic diffuse idiopathic skeletal hyperostosis in 3299 black patients
Authors: Yoshihara Hiroyuki , Nadarajah Vidushan , Horowitz Evan
Published: November 2021

The purpose of this study was to examine the prevalence and characteristics of thoracic diffuse idiopathic skeletal hyperostosis (T-DISH) in the Black patients using the computed tomography (CT) analysis. This study is a cross-sectional study. All patients who underwent chest CT for the trauma screening and whose race was categorized as “Black” on the questionnaire were recruited in the study from Mar 2019 to Mar 2020. Demographic data, including age, sex, body mass index (BMI), and presence of diabetes mellitus (DM), were recorded. A total of 3299 Black patients (1507 women and 1792 men) were included for the analysis. The prevalence of T-DISH was 7.7% (255 patients), with 8.6% for females and 7.0% for males. The highest prevalence was observed in patients at the age of 70 years (11.7%), followed by the age of 80 years (10.5%). The highest prevalence level of T-DISH segment was at T8, followed by T9, and T7. The most frequent number of contiguous vertebrae was seven (21%). BMI was not associated with T-DISH. The presence of DM was significantly higher in male patients with T-DISH than those without T-DISH (P = 0.02).
The first report of iron-rich population of adapted medicinal spinach (Blitum virgatum L.) compared with cultivated spinach (Spinacia oleracea L.)
Authors: Ammarellou Ali , Mozaffarian Valiollah
Published: November 2021

Folk medicine such as herbal and natural products have been used for centuries in every culture throughout the world. The Chenopodiaceae family with more than 1500 species is dispersed worldwide. The Iranian wild spinach (Blitum virgatum L.) is an important traditional medicinal plant used for antiviral diseases such as pneumonia and other respiratory track infections. This plant is a mountainous herb and is growing upper than 3000 m. We performed a mass selection plant breeding program on wild populations of this Iranian wild spinach during 2013–2020. Based on experimental and field characteristics this plant was identified as B. virgatum, |abbaricum|, and related characteristics were prepared with reference to the International Union for the Protection of New Varieties of Plants (UPOV). Mass selection program resulted from an adapted population named as medicinal spinach (MSP) population. To compare the mineral content of the mass-selected population with cultivated spinach (Spinacia oleracea L. |Varamin 88|), both plants were planted in pots and fields under similar conditions. In five leaves stage, plant samples were taken from both leaf and crown sections and used for experimental analysis. Atomic absorption spectroscopy was used to determine the mineral content including iron (Fe), zinc (Z), manganese (Mn), and copper (Cu). Our results showed the selected medicinal spinach population (MSP) with about 509 ppm iron was an important iron-rich population with about 3.5–4 times more than the amount of iron in cultivated spinach in the same conditions. Because iron is an important essential element for blood production, respiration process, energy metabolisms, synthesis of collagen, and some neurotransmitters are needed for proper immune function, so the supply of absorbable adequate iron is very important. The reasons such as the prevalence of the COVID-19 pandemic, which affects the amount of exchangeable oxygen in the lungs and historical local evidences of the use of this plant (MSP) for pneumonia, could open new horizons for focusing on studies related to the use of ancestral human experiences in addition to scientifically modern research.
Comparative analysis of dielectric, shear mechanical and light scattering response functions in polar supercooled liquids
Authors: Ngai K. L. , Wojnarowska Z. , Paluch M.
Published: November 2021

The studies of molecular dynamics in the vicinity of liquid–glass transition are an essential part of condensed matter physics. Various experimental techniques are usually applied to understand different aspects of molecular motions, i.e., nuclear magnetic resonance (NMR), photon correlation spectroscopy (PCS), mechanical shear relaxation (MR), and dielectric spectroscopy (DS). Universal behavior of molecular dynamics, reflected in the invariant distribution of relaxation times for different polar and weekly polar glass-formers, has been recently found when probed by NMR, PCS, and MR techniques. On the other hand, the narrow dielectric permittivity function ε*(f) of polar materials has been rationalized by postulating that it is a superposition of a Debye-like peak and a broader structural relaxation found in NMR, PCS, and MR. Herein, we show that dielectric permittivity representation ε*(f) reveals details of molecular motions being undetectable in the other experimental methods. Herein we propose a way to resolve this problem. First, we point out an unresolved Johari–Goldstein (JG) β-relaxation is present nearby the α-relaxation in these polar glass-formers. The dielectric relaxation strength of the JG β-relaxation is sufficiently weak compared to the α-relaxation so that the narrow dielectric frequency dispersion faithfully represents the dynamic heterogeneity and cooperativity of the α-relaxation. However, when the other techniques are used to probe the same polar glass-former, there is reduction of relaxation strength of α-relaxation relative to that of the JG β relaxation as well as their separation. Consequently the α relaxation appears broader in frequency dispersion when observed by PCS, NMR and MR instead of DS. The explanation is supported by showing that the quasi-universal broadened α relaxation in PCS, NMR and MR is captured by the electric modulus M*(f) = 1/ε*(f) representation of the dielectric measurements of polar and weakly polar glass-formers, and also M*(f) compares favorably with the mechanical shear modulus data G*(f).
Key factors of the functional ability of older people to self-manage medications
Authors: Advinha Ana Margarida , Nunes Carla , de Barros Carla Teixeira , Lopes Manuel José , de Oliveira-Martins Sofia
Published: November 2021

Daily medication use can be affected by the gradual loss of functional ability. Thus, elderly patients are at risk for nonadherence due to functional decline, namely, decreases in cognitive skills and visual and manual dexterity. The main objective was to assess the ability of older people to self-manage their medication and to identify the main predictors for unintentional nonadherence. A cross-sectional study was conducted (2014–2017) in community centers and pharmacies. Functional assessment was performed with the Portuguese versions of the Drug Regimen Unassisted Grading Scale (DRUGS-PT) and the Self-Medication Assessment Tool (SMAT-PT). A purposive sample including 207 elderly patients was obtained. To identify the main predictors, binary logistic regression was performed. The average DRUGS-PT score was slightly lower than that in other studies. On the SMAT-PT, the greatest challenge for patients was identifying medications by reading labels/prescriptions. The main difficulties identified were medication memorization and correct schedule identification. The scores were higher with the real regimen than with the simulated regimen, underlining the difficulties for patients in receiving new information. Regarding the predictors of an older individual’s ability to self-manage medications, two explanatory models were obtained, with very high areas under the curve (> 90%). The main predictors identified were cognitive ability, level of schooling and daily medication consumption.
Mathematical modeling and thermodynamics of Prandtl–Eyring fluid with radiation effect: a numerical approach
Authors: Ullah Zakir , Ullah Ikram , Zaman Gul , Khan Hamda , Muhammad Taseer
Published: November 2021

Main concern of current research is to develop a novel mathematical model for stagnation-point flow of magnetohydrodynamic (MHD) Prandtl–Eyring fluid over a stretchable cylinder. The thermal radiation and convective boundary condition are also incorporated. The modeled partial differential equations (PDEs) with associative boundary conditions are deduced into coupled non-linear ordinary differential equations (ODEs) by utilizing proper similarity transformations. The deduced dimensionless set of ODEs are solved numerically via shooting method. Behavior of controlling parameters on the fluid velocity, temperature fields as well as skin friction and Nusselt number are highlighted through graphs. Outcome declared that dimensionless fluid temperature boosts up for both the radiation parameter and Biot number. It is also revealed that the magnitude of both heat transfer rate and skin friction enhance for higher estimation of curvature parameter. Furthermore, comparative analysis between present and previous reports are provided for some specific cases to verify the obtained results.
Past, present, and future climate space of the only endemic vertebrate genus of the Italian peninsula
Authors: Macaluso Loredana , Villa Andrea , Carnevale Giorgio , Delfino Massimo
Published: November 2021

The two extant Salamandrina species represent a unique case of morphology, ecology, and ethology among urodeles. The range of this genus is currently limited to Italy, where it represents the only endemic vertebrate genus, but its past range extended over a much broader area of Europe, including the Iberian and Balkan peninsulas. ENM analyses using modern occurrences of Salamandrina demonstrate that the current climate of the majority of Europe, and especially areas where fossils of this genus were found, is currently not suitable for this genus, neither was it suitable during the last 3.3 million years. This result allows possible assumptions about the climatic influence on the former extirpation of this salamander from several areas of Europe. Furthermore, it shows that, during Pliocene–Pleistocene climatic oscillations, Mediterranean peninsulas, despite being generally considered together because of similar latitude, had different potential to effectively become glacial refugia for this salamander, and possibly for other species as well. Future projections using different CO2 emission scenarios predict that climatic suitability will be even more drastically reduced during the next 50 years, underlining once more the importance of conservation strategies and emission-reducing policies.
Resonant X-ray photo-oxidation of light-harvesting iron (II/III) N-heterocyclic carbene complexes
Authors: Temperton Robert H. , Guo Meiyuan , D’Acunto Giulio , Johansson Niclas , Rosemann Nils W. , Prakash Om , Wärnmark Kenneth , Schnadt Joachim , Uhlig Jens , Persson Petter
Published: November 2021

Two photoactive iron N-heterocyclic carbene complexes $${[\hbox {Fe}^{{{\rm{II}}}}(\hbox {btz})_2(\hbox {bpy})]^{2+}}$$

[

Fe
II

(
btz
)

2

(
bpy
)

]

2
+

and $${[\hbox {Fe}^{{\rm{III}}}(\hbox {btz})_3]^{3+}}$$

[

Fe
III

(
btz
)

3

]

3
+

, where btz is 3,3’-dimethyl-1,1’-bis(p-tolyl)-4,4’-bis(1,2,3-triazol-5-ylidene) and bpy is 2,2’-bipyridine, have been investigated by Resonant Photoelectron Spectroscopy (RPES). Tuning the incident X-ray photon energy to match core-valence excitations provides a site specific probe of the electronic structure properties and ligand-field interactions, as well as information about the resonantly photo-oxidised final states. Comparing measurements of the Fe centre and the surrounding ligands demonstrate strong mixing of the Fe $${\hbox {t}_{{\rm{2g}}}}$$

t

2
g

levels with occupied ligand $$\pi$$
π
orbitals but weak mixing with the corresponding unoccupied ligand orbitals. This highlights the importance of $$\pi$$
π
-accepting and -donating considerations in ligand design strategies for photofunctional iron carbene complexes. Spin-propensity is also observed as a final-state effect in the RPES measurements of the open-shell $$\hbox {Fe}^{{\rm{III}}}$$

Fe
III

complex. Vibronic coupling is evident in both complexes, where the energy dispersion hints at a vibrationally hot final state. The results demonstrate the significant impact of the iron oxidation state on the frontier electronic structure and highlights the differences between the emerging class of $$\hbox {Fe}^{{\rm{III}}}$$

Fe
III

photosensitizers from those of more traditional $$\hbox {Fe}^{{\rm{II}}}$$

Fe
II

complexes.
Systems pharmacology to reveal multi-scale mechanisms of traditional Chinese medicine for gastric cancer
Authors: Zhang Lulu , Xiao Yue , Yang Ruijie , Wang Siyi , Ma ShuangXin , Liu Jianling , Xiao Wei , Wang Yonghua
Published: November 2021

Because of the complex etiology, the treatment of gastric cancer is a formidable challenge for contemporary medical. The current treatment method focuses on traditional surgical procedures, supplemented by other treatments. Among these other treatments, Traditional Chinese Medicine (TCM) plays an important role. Here, we used the systems pharmacology approach to reveal the potential molecular mechanism of PRGRC on gastric cancer which composes of Pinellia ternata(Thunb.) Breit., Rheum palmatumL., Gentiana scabraBunge, Radix Aucklandiae and Citrus aurantium L. This approach combines pharmacokinetics analysis with pharmacodynamics evaluation for the active compounds screening, targets prediction and pathways assessing. Firstly, through pharmacokinetic evaluation and target prediction models, 83 potential compounds and 184 gastric cancer-related targets were screened out. Then, the results of network analysis suggested that the targets of PRGRC were mainly involved two aspects: apoptosis and inflammation. Finally, we verified the reliability of the above analysis at the cellular level by using naringenin and luteolin with good pharmacokinetic activity as representative compounds. Overall, we found that PRGRC could influence the development of gastric cancer from a multi-scale perspective. This study provided a new direction for analyzing the mechanism of TCM.
Incorporating the field border effect to reduce the predicted uncertainty of pollen dispersal model in Asia
Authors: Su Yuan-Chih , Lee Cheng-Bin , Yiu Tien-Joung , Kuo Bo-Jein
Published: November 2021

The presence of the field border (FB), such as roadways or unplanted areas, between two fields is common in Asian farming system. This study evaluated the effect of the FB on the cross-pollination (CP) and predicted the CP rate in the field considering and not considering FB. Three experiments including 0, 6.75, and 7.5 m width of the FB respectively were conducted to investigate the effect of distance and the FB on the CP rate. The dispersal models combined kernel and observation model by calculating the parameter of observation model from the output of kernel. These models were employed to predict the CP rate at different distances. The Bayesian method was used to estimate parameters and provided a good prediction with uncertainty. The highest average CP rates in the field with and without FB were 74.29% and 36.12%, respectively. It was found that two dispersal models with the FB effect displayed a higher ability to predict average CP rates. The correlation coefficients between actual CP rates and CP rates predicted by the dispersal model combined zero-inflated Poisson observation model with compound exponential kernel and modified Cauchy kernel were 0.834 and 0.833, respectively. Furthermore, the predictive uncertainty was reducing using the dispersal models with the FB effect.
Dependency of active pressure and equation of state on stiffness of wall
Authors: Pirhadi Emad , Cheng Xiang , Yong Xin
Published: November 2021

Autonomous motion and motility are hallmarks of active matter. Active agents, such as biological cells and synthetic colloidal particles, consume internal energy or extract energy from the environment to generate self-propulsion and locomotion. These systems are persistently out of equilibrium due to continuous energy consumption. It is known that pressure is not always a state function for generic active matter. Torque interaction between active constituents and confinement renders the pressure of the system a boundary-dependent property. The mechanical pressure of anisotropic active particles depends on their microscopic interactions with a solid wall. Using self-propelled dumbbells confined by solid walls as a model system, we perform numerical simulations to explore how variations in the wall stiffness influence the mechanical pressure of dry active matter. In contrast to previous findings, we find that mechanical pressure can be independent of the interaction of anisotropic active particles with walls, even in the presence of intrinsic torque interaction. Particularly, the dependency of pressure on the wall stiffness vanishes when the stiffness is above a critical level. In such a limit, the dynamics of dumbbells near the walls are randomized due to the large torque experienced by the dumbbells, leading to the recovery of pressure as a state variable of density.
Connectivity dynamics in Irish mudflats between microorganisms including Vibrio spp., common cockles Cerastoderma edule, and shorebirds
Authors: Albuixech-Martí Sara , Lynch Sharon A. , Culloty Sarah C.
Published: November 2021

Shellfish, including the key species the common cockle Cerastoderma edule, living and feeding in waters contaminated by infectious agents can accumulate them within their tissues. It is unknown if microbial pathogens and microparasites can subsequently be transmitted via concomitant predation to their consumers, including shorebirds. The objective of this study was to assess if pathogens associated with C. edule could be detected seasonally in the faeces of shorebirds that feed on C. edule and in the physical environment (sediment) in which C. edule reside, along the Irish and Celtic Seas. Two potentially pathogenic global groups, Vibrio and Haplosporidia, were detected in C. edule. Although Haplosporidia were not detected in the bird faeces nor in the sediment, identical strains of Vibrio splendidus were detected in C. edule and bird faecal samples at sites where the oystercatcher Haematopus ostralegus and other waders were observed to be feeding on cockles. Vibrio spp. prevalence was seasonal and increased in C. edule and bird faecal samples during the warmer months, possibly due to higher seawater temperatures that promote the replication of this bacteria. The sediment samples showed an overall higher prevalence of Vibrio spp. than the bird faecal and C. edule samples, and its detection remained consistently high through the sites and throughout the seasons, which further supports the role of the sediment as a Vibrio reservoir. Our findings shed light on the fact that not all pathogen groups are transmitted from prey to predator via feeding but bacteria such as V. splendidus can be. As most of the wading birds observed in this study are migratory, the results also indicate the potential for this bacterium to be dispersed over greater geographic distances, which will have consequences for areas where it may be introduced.
Ring finger protein 213 c.14576G>A mutation is not involved in internal carotid artery and middle cerebral artery dysplasia
Authors: Murai Yasuo , Ishisaka Eitaro , Watanabe Atsushi , Sekine Tetsuro , Shirokane Kazutaka , Matano Fumihiro , Nakae Ryuta , Tamaki Tomonori , Koketsu Kenta , Morita Akio
Published: November 2021

The ring finger protein 213 (RNF213) susceptibility gene has been detected in more than 80% of Japanese and Korean patients with moyamoya disease (MMD), a bilateral internal carotid artery (ICA) occlusion. Furthermore, RNF213 has been detected in more than 20% of East Asians with atherosclerotic ICA stenosis. In this study, we evaluated the frequency of RNF213 mutations in congenital occlusive lesions of the ICA system. This case series was conducted jointly at four university hospitals. Patients with a family history of MMD, quasi-MMD, or related diseases were excluded. Ten patients were diagnosed with abnormal ICA or middle cerebral artery (MCA) angiogenesis. Patients with neurofibromatosis were excluded. Finally, nine patients with congenital vascular abnormalities were selected; of these, five had ICA deficiency and four had twig-like MCA. The RNF213 c.14576G > A mutation was absent in all patients. Therefore, the RNF213 c.14576G > A mutation may not be associated with ICA and MCA congenital dysplasia—rare vascular anomalies making it difficult to study a large number of cases. However, an accumulation of cases is required for accurate determination. The results of this study may help differentiate congenital vascular diseases from MMD.
Preparation and characteristic analysis of nanofacula array
Authors: Shao Lina , Tian Xin , Ji Shengxiang , Wang Hongda , Shi Yan
Published: November 2021

The development of nanofacula array is an effective methods to improve the performance of Near-field Scanning Optical Microscopy (NSOM) and achieve high-throughput array scanning. The nanofacula array is realized by preparing metal nanopore array through the "two etching-one development" method of double-layer resists and the negative lift-off process after metal film coating. The shading property of metal film plays important rules in nanofacula array fabrication. We investigate the shading coefficient of three kinds of metal films (gold–palladium alloy (Au/Pd), platinum (Pt), chromium (Cr)) under different coating times, and 3.5 min Au/Pd film is determined as the candidate of the nanofacula array fabrication for its lower thickness (about 23 nm) and higher shading coefficient (≥ 90%). The nanofacula array is obtained by irradiating with white light (central wavelength of 500 nm) through the metal nanopore array (250/450 nm pore diameter, 2 μm pore spacing and 7 μm group spacing). Moreover, the finite difference and time domain (FDTD) simulation proves that the combination of nanopore array and microlens array achieves high-energy focused nanofacula array, which shows a 3.2 times enhancement of electric field. It provides a new idea for NSOM to realize fast super-resolution focusing facula array.
Correlation between brain function and ADHD symptom changes in children with ADHD following a few-foods diet: an open-label intervention trial
Authors: Hontelez Saartje , Stobernack Tim , Pelsser Lidy M. , van Baarlen Peter , Frankena Klaas , Groefsema Martine M. , Kleerebezem Michiel , Rodrigues Pereira Rob , Postma Elbrich M. , Smeets Paul A. M. , Stopyra Marion A. , Zwiers Marcel P. , Aarts Esther
Published: November 2021

Research into the effect of nutrition on attention-deficit hyperactivity disorder (ADHD) in children has shown that the few-foods diet (FFD) substantially decreases ADHD symptoms in 60% of children. However, the underlying mechanism is unknown. In this open-label nutritional intervention study we investigated whether behavioural changes after following an FFD are associated with changes in brain function during inhibitory control in 79 boys with ADHD, aged 8–10 years. Parents completed the ADHD Rating Scale before (t1) and after the FFD (t2). Functional magnetic resonance imaging (fMRI) scans were acquired during a stop-signal task at t1 and t2, and initial subject-level analyses were done blinded for ARS scores. Fifty (63%) participants were diet responders, showing a decrease of ADHD symptoms of at least 40%. Fifty-three children had fMRI scans of sufficient quality for further analysis. Region-of-interest analyses demonstrated that brain activation in regions implicated in the stop-signal task was not associated with ADHD symptom change. However, whole-brain analyses revealed a correlation between ADHD symptom decrease and increased precuneus activation (pFWE(cluster) = 0.015 for StopSuccess > Go trials and pFWE(cluster) < 0.001 for StopSuccess > StopFail trials). These results provide evidence for a neurocognitive mechanism underlying the efficacy of a few-foods diet in children with ADHD.
A selectable all-in-one CRISPR prime editing piggyBac transposon allows for highly efficient gene editing in human cell lines
Authors: Eggenschwiler Reto , Gschwendtberger Thomas , Felski Christian , Jahn Christopher , Langer Florian , Sterneckert Jared , Hermann Andreas , Lühmann Jonathan , Steinemann Doris , Haase Alexandra , Martin Ulrich , Petri Susanne , Cantz Tobias
Published: November 2021

CRISPR prime-editors are emergent tools for genome editing and offer a versatile alternative approach to HDR-based genome engineering or DNA base-editors. However, sufficient prime-editor expression levels and availability of optimized transfection protocols may affect editing efficiencies, especially in hard-to-transfect cells like hiPSC. Here, we show that piggyBac prime-editing (PB-PE) allows for sustained expression of prime-editors. We demonstrate proof-of-concept for PB-PE in a newly designed lentiviral traffic light reporter, which allows for estimation of gene correction and defective editing resulting in indels, based on expression of two different fluorophores. PB-PE can prime-edit more than 50% of hiPSC cells after antibiotic selection. We also show that improper design of pegRNA cannot simply be overcome by extended expression, but PB-PE allows for estimation of effectiveness of selected pegRNAs after few days of cultivation time. Finally, we implemented PB-PE for efficient editing of an amyotrophic lateral sclerosis-associated mutation in the SOD1-gene of patient-derived hiPSC. Progress of genome editing can be monitored by Sanger-sequencing, whereas PB-PE vectors can be removed after editing and excised cells can be enriched by fialuridine selection. Together, we present an efficient prime-editing toolbox, which can be robustly used in a variety of cell lines even when non-optimized transfection-protocols are applied.
Penetrative and non-penetrative interaction between Laboulbeniales fungi and their arthropod hosts
Authors: Reboleira Ana Sofia P. S. , Moritz Leif , Santamaria Sergi , Enghoff Henrik
Published: November 2021

Laboulbeniales are a highly specialized group of fungi living only on arthropods. They have high host specificity and spend their entire life-cycle on an arthropod host. Taxonomic characters of Laboulbeniales are based on the architecture of the cells of the parenchymal thallus, i.e. the visible part of the fungus outside the host. The extent of the fungus spreading inside the host—the haustorium—remains largely unknown. The attachment to the arthropod host is fundamental to understand the fungus-animal interaction, but how this truly occurs is unclear. Recent evidences question the strictly parasitic life-style of Laboulbeniales. We used micro-computed tomography (µCT) and 3D reconstructions to visualize, for the first time, the complete structure of Laboulbeniales species in situ on their hosts. We compared the haustoriate species, Arthrorhynchus nycteribiae on an insect host to the non-haustoriate species, Rickia gigas on a millipede host. Our results confirm that some Laboulbeniales species are ectoparasitic and have a haustorial structure that penetrates the host’s cuticle, while others are ectobionts and are only firmly attached to the host’s cuticle without penetrating it. The presence and the morphology of the haustorium are important traits for Laboulbeniales evolution, and key factors for future understanding of host dependence and specificity.
Impact of ceftolozane/tazobactam concentrations in continuous infusion against extensively drug-resistant Pseudomonas aeruginosa isolates in a hollow-fiber infection model
Authors: Montero María M. , Domene-Ochoa Sandra , López-Causapé Carla , Luque Sonia , Sorlí Luisa , Campillo Núria , Padilla Eduardo , Prim Núria , Ferrer-Alapont Lorena , Angulo-Brunet Ariadna , Grau Santiago , Oliver Antonio , Horcajada Juan P.
Published: November 2021

Ceftolozane/tazobactam (C/T) has emerged as a potential agent for the treatment of extensively drug-resistant (XDR) Pseudomonas aeruginosa infections. As it is a time-dependent antimicrobial, prolonged infusion may help achieve pharmacokinetic/pharmacodynamic (PK/PD) targets. To compare alternative steady-state concentrations (Css) of C/T in continuous infusion (CI) against three XDR P. aeruginosa ST175 isolates with C/T minimum inhibitory concentration (MIC) values of 2 to 16 mg/L in a hollow-fiber infection model (HFIM). Duplicate 10-day HFIM assays were performed to evaluate Css of C/T in CI: one compared 20 and 45 mg/L against the C/T-susceptible isolate while the other compared 45 and 80 mg/L against the two C/T-non-susceptible isolates. C/T resistance emerged when C/T-susceptible isolate was treated with C/T in CI at a Css of 20 mg/L; which showed a deletion in the gene encoding AmpC β-lactamase. The higher dosing regimen (80 mg/L) showed a slight advantage in effectiveness. The higher dosing regimen has the greatest bactericidal effect, regardless of C/T MIC. Exposure to the suboptimal Css of 20 mg/L led to the emergence of C/T resistance in the susceptible isolate. Antimicrobial regimens should be optimized through C/T levels monitoring and dose adjustments to improve clinical management.
Soil bacterial community as impacted by addition of rice straw and biochar
Authors: Tang Zhiqiang , Zhang Liying , He Na , Gong Diankai , Gao Hong , Ma Zuobin , Fu Liang , Zhao Mingzhu , Wang Hui , Wang Changhua , Zheng Wenjing , Zhang Wenzhong
Published: November 2021

The application of straw and biochar can effectively improve soil quality, but whether such application impacts paddy soil bacterial community development remains to be clarified. Herein, the impacts of three different field amendment strategies were assessed including control (CK) treatment, rice straw (RS) application (9000 kg ha−1), and biochar (BC) application (3150 kg ha−1). Soil samples were collected at five different stages of rice growth, and the bacterial communities therein were characterized via high-throughput 16S rDNA sequencing. The results of these analyses revealed that soil bacterial communities were dominated by three microbial groups (Chloroflexi, Proteobacteria and Acidobacteria). Compared with the CK samples, Chloroflexi, Actinobacteria, Nitrospirae and Gemmatimonadetes levels were dominated phyla in the RS treatment, and Acidobacteria, Actinobacteria, Nitrospirae and Patescibacteria were dominated phyla in the BC treatment. Compared with the RS samples, Chloroflexi, Acidobacteria, Actinobacteria, and Verrucomicrobia levels were increased, however, Proteobacteria, Gemmatimonadetes, Nitrospirae, and Firmicute levels were decreased in the BC samples. Rhizosphere soil bacterial diversity rose significantly following RS and BC amendment, and principal component analyses confirmed that there were significant differences in soil bacterial community composition among treatment groups when comparing all stages of rice growth other than the ripening stage. Relative to the CK treatment, Gemmatimonadaceae, Sphingomonadaceae, Thiovulaceae, Burkholderiaceae, and Clostridiaceae-1 families were dominant following the RS application, while Thiovulaceae and uncultured-bacterium-o-C0119 were dominant following the BC application. These findings suggest that RS and BC application can improve microbial diversity and richness in paddy rice soil in Northeast China.
Molecular excited state calculations with adaptive wavefunctions on a quantum eigensolver emulation: reducing circuit depth and separating spin states
Authors: Chan Hans Hon Sang , Fitzpatrick Nathan , Segarra-Martí Javier , Bearpark Michael J. , Tew David P.
Published: November 2021

Using adaptive wavefunctions and spin restrictions to compute excited state energies of LiH in a VQE emulation greatly reduces ansatz depth, showing promise as a routine for molecular excited state calculations on near-term quantum computers.
Doping and coupling strength in molecular conductors: polyacetylene as a case study
Authors: Bustamante Carlos M. , Scherlis Damián A.
Published: November 2021

Multiscale simulations of doped polyacetylene wires combining TDDFT with tight-binding electrodes show that dopants are irrelevant in low resistance junctions, but can significantly raise the current when the molecule–electrode coupling is weak.
Anion-controlled Zn(ii) coordination polymers with 1-(tetrazo-5-yl)-3-(triazo-1-yl) benzene as an assembling ligand: synthesis, characterization, and efficient detection of tryptophan in water
Authors: Sun Han-Xu , Zhou Jie , Zhang Zhen , He Mei , He Lian-Cheng , Du Lin , Xie Ming-Jin , Zhao Qi-Hua
Published: November 2021

The triazole/tetrazole N-donor ligand of Httb is rarely studied in the construction of CPs. A controlling effect of anions on supramolecular architectures has been observed. CP 2 has been proved to be the best tryptophan sensor.
Fluoride anion complexation and transport using a stibonium cation stabilized by an intramolecular PO → Sb pnictogen bond
Authors: Gonzalez Vanessa M. , Park Gyeongjin , Yang Mengxi , Gabbaï François P.
Published: November 2021

A newly synthesized stibonium cation stabilized by an intramolecular PO → Sb pnictogen bond readily transports fluoride anions across phospholipid bilayers.
Impact of the ferrocenyl group on cytotoxicity and KSP inhibitory activity of ferrocenyl monastrol conjugates
Authors: Wieczorek-Błauż Anna , Kowalczyk Karolina , Błauż Andrzej , Makal Anna , Pawlędzio Sylwia , Eurtivong Chatchakorn , Arabshahi Homayon J. , Reynisson Jóhannes , Hartinger Christian G. , Rychlik Błażej , Plażuk Damian
Published: November 2021

Introduction of the ferrocenyl group into the monastrol scaffold improved the cytotoxic activity, and increased the kinesin-spindle-protein (KSP) inhibitory activity and its ability to generate ROS which led to increased levels of apoptotic cells.
High-loaded sub-6 nm Pt1Co1 intermetallic compounds with highly efficient performance expression in PEMFCs
Authors: Cheng Qingqing , Yang Shuai , Fu Cehuang , Zou Liangliang , Zou Zhiqing , Jiang Zheng , Zhang Junliang , Yang Hui
Published: November 2021

High-loaded Pt1Co1-IMC@Pt/C catalyst enables high power PEMFCs, meeting the practical application requirement in electric vehicles.
Safeguarding the RuO2 phase against lattice oxygen oxidation during acidic water electrooxidation
Authors: Jin Haneul , Choi Songa , Bang Gi Joo , Kwon Taehyun , Kim Hee Soo , Lee Su Ji , Hong Yongju , Lee Dong Wook , Park Hyun S. , Baik Hionsuck , Jung Yousung , Yoo Sung Jong , Lee Kwangyeol
Published: November 2021

Pt impregnated into the RuO2 phase assisted by oxophilic Co suppresses the over-oxidation of Ru during water electrooxidation under acidic conditions.
Identifying high-performance and durable methylammonium-free lead halide perovskites via high-throughput synthesis and characterization
Authors: An Yu , Perini Carlo Andrea Riccardo , Hidalgo Juanita , Castro-Méndez Andrés-Felipe , Vagott Jacob N. , Li Ruipeng , Saidi Wissam A. , Wang Shirong , Li Xianggao , Correa-Baena Juan-Pablo
Published: November 2021

The fundamental structure–property relationships in the CsyFA1−yPb(BrxI1−x)3 compositional space are reported.
Correction: Macroscopic covalent organic framework architectures for water remediation
Authors: Mohammed Abdul Khayum , Shetty Dinesh
Published: November 2021

Correction for ‘Macroscopic covalent organic framework architectures for water remediation’ by Abdul Khayum Mohammed et al., Environ. Sci.: Water Res. Technol., 2021, DOI: 10.1039/d1ew00408e.
Synthesis and characterization of 1-butyl-4-amino-1,2,4-triazolium energetic ionic liquids with transition-metal complex anions
Authors: Bo Gao , Zhanning Niu , Hongwei Yang , Haoqing Tang , Xiaohuan Liu , Tian Tian
Published: November 2021

Energetic ionic liquids based on 1-butyl-4-amino-1,2,4-triazolium cation and transition metal complex anions, namely [Co(NO2)6]3−, [Co(CN)6]3−, [Co(NCS)4]2− and [Fe(CN)6]3−, were synthesized.
Nature of polymeric condensates during furfural rearrangement to cyclopentanone and cyclopentanol over Cu-based catalysts
Authors: Li Dongsheng , Tian Ziyou , Cai Xichen , Li Zhanqiao , Zhang Chen , Zhang Wei , Song Yongji , Wang Hong , Li Cuiqing
Published: November 2021

In-depth studies on condensate structures during furfural rearrangement to cyclopentanone are presented. Polymeric condensates with high levels of conjugation were the main cause for carbon loss and catalyst deactivation.
Stereoselective sulfenylation of oxindole-derived propargyl alcohols to access sulfenylated-3-alkenyloxindoles
Authors: Khan Tabassum , Rajesh Pallava , Arun Doma , Yaragorla Srinivasarao
Published: November 2021

A Ca-catalyzed, alkenyl-sulfenylation was achieved from oxindole derived propargyl alcohols and thiols. The reaction proceeded with hydrogen bonding assisted regioselective α-thiolation and subsequent alkenylation with high diastereoselectivity.
Palladium-catalyzed and alcohol-enabled transformation to synthesize benzocyclic ketones
Authors: Lu Wen-Xiu , Xing Jian , Sun Yijia , Huang Qinge , Deng Zhenwei , Mao Jian-Gang
Published: November 2021

A highly effective method to synthesize indanone via palladium-catalyzed and alcohol-promoted cyclization/transformation of nitriles is described.
PNIPAM-immobilized gold-nanoparticles with colorimetric temperature-sensing and reusable temperature-switchable catalysis properties
Authors: Wu Si , Lei Lei , Xia Yuzheng , Oliver Susan , Chen Xiaonong , Boyer Cyrille , Nie Zhiyong , Shi Shuxian
Published: November 2021

The temperature-responsive core–shell hybrid nanoparticles PNIPAMs-AuNP have dual-functional applications as colorimetric temperature-sensors and reusable temperature-switchable catalysts.
Effect of heterogeneous and homogeneous polymerisation on the structure of pNIPAm nanogels
Authors: Vdovchenko Alena , Pearce Amanda K. , Freeley Mark , O'Reilly Rachel K. , Resmini Marina
Published: November 2021

The choice of the polymerisation temperature and initiator in the synthesis of poly(N-isopropylacrylamide)-based nanogels can significantly influence their structure, morphology and thermoresponsive properties.
Insights into the co-assemblies formed by different aromatic short-peptide amphiphiles
Authors: Gila-Vilchez Cristina , Mañas-Torres Mari C. , González-Vera Juan A. , Franco-Montalban Francisco , Tamayo Juan A. , Conejero-Lara Francisco , Cuerva Juan Manuel , Lopez-Lopez Modesto T. , Orte Angel , Álvarez de Cienfuegos Luis
Published: November 2021

The mechanism of co-assembly of different aromatic dipeptides has been studied using a combination of microscopy and spectroscopy techniques. At an equimolar ratio, the kinetics of the process is favored giving rise to alternate copolymers.
Structural designing of Zn2SiO4:Mn nanocrystals by co-doping of alkali metal ions in mesoporous silica channels for enhanced emission efficiency with short decay time
Authors: Tripathi Neeti , Akai Tomoko
Published: November 2021

Alkali metal ions co-doped Zn2SiO4:Mn nanocrystals were synthesized in a mesoporous silica matrix using solution impregnation method. A high PL-QY of 68.3% at λexc 254 nm and 3.8% at λexc 425 nm with faster decay time of <5 ms is obtained.
Thin robust Pd membranes for low-temperature application
Authors: Ma Yuyu , Wang Meiyi , Tang Chunhua , Li Hui , Fu Jie , Xu Hengyong
Published: November 2021

Thin tubular membranes (outer diameter, 2 mm, thickness < 4 mm) exhibits strong resistance against hydrogen embrittlement at temperatures below 100 °C due to reduced lattice strain gradients in cylindrical structures and lower residual stresses.
Controlled movement of ssDNA conjugated peptide through Mycobacterium smegmatis porin A (MspA) nanopore by a helicase motor for peptide sequencing application
Authors: Chen Zhijie , Wang Zhenqin , Xu Yang , Zhang Xiaochun , Tian Boxue , Bai Jingwei
Published: November 2021

A new technique for single molecular peptide sequencing is demonstrated by translocation of ssDNA-conjugated-peptide through MspA nanopore which is regulated by a DNA helicase motor.
Uncovering selective and active Ga surface sites in gallia–alumina mixed-oxide propane dehydrogenation catalysts by dynamic nuclear polarization surface enhanced NMR spectroscopy
Authors: Castro-Fernández Pedro , Kaushik Monu , Wang Zhuoran , Mance Deni , Kountoupi Evgenia , Willinger Elena , Abdala Paula M. , Copéret Christophe , Lesage Anne , Fedorov Alexey , Müller Christoph R.
Published: November 2021

Coordination geometry and Lewis acidity of Ga and Al (bulk and surface) sites in mixed oxide gallia–alumina nanoparticles is correlated with the performance in propane dehydrogenation.
A continuum membrane model can predict curvature sensing by helix insertion
Authors: Fu Yiben , Zeno Wade F. , Stachowiak Jeanne C. , Johnson Margaret E.
Published: November 2021

Protein domains, such as ENTH (epsin N-terminal homology) and BAR (bin/amphiphysin/rvs), contain amphipathic helices that drive preferential binding to curved membranes.
Contemplative Pedagogy: Creating Mindful Educators and Classrooms
Authors: Chapman Laura Roche
Published: November 2021

Purpose:

This tutorial introduces communication sciences and disorders (CSD) educators to contemplative pedagogy (sometimes called mindfulness in the classroom). While contemplative pedagogy has considerable overlap with evidence-based teaching and learning, and aligns with values in the CSD discipline, there are few published reports investigating the role of contemplative pedagogy in CSD education. This tutorial outlines the potential benefits of contemplative pedagogy to CSD education and offers suggestions on how to create mindful educators and classrooms. Specific contemplative practices are described. Basic instructions, along with ideas and examples of how practices can be modified and contextualized in CSD classrooms, are provided.

Conclusions:

Educators can bring contemplative practices into CSD classrooms in many ways. Educators can cultivate a contemplative disposition through a personal practice that can enhance the development of self-awareness. Self-awareness can then inform critical reflection of teaching. Educators can select and design contemplative practices that integrate students' first-, second-, and third-person ways of knowing. As an addition to the pedagogical toolbox, contemplative pedagogy offers opportunities for educators and students to connect their own values and experiences with the process of teaching and learning.
Predictive‐based optimal automatic formation control of mobile vehicles
Authors: Zanma Tadanao , Haga Shunta , Koiwa Kenta , Liu Kang‐Zhi
Published: November 2021

In recent years, formation control has received a great deal of attention as one of the most interesting issues in multiple mobile robots systems. In variable formation control systems, multiple mobile vehicles can form an appropriate formation from a list of possible formations, such that all mobile vehicles can pass even when the width of the course is narrow, and simultaneously the vehicles maintain a set distance between the course and each vehicle. This paper presents a predictive‐based automatic formation control. In our formation control system, a unique formation is determined from feasible formations at any given sampling point. This control is formulated by its corresponding mixed‐integer quadratic programing by introducing binary variables that are used to specify the formation. The effectiveness of the proposed methods is verified by applying two‐wheeled mobile vehicles through simulations and experiments.
Effect of graphene modified semi‐conductive shielding layer on space charge accumulation in insulation layer for high‐voltage direct current cable
Authors: Li Guochang , Li Xuejing , Zhang Fan , Liang Xiaojian , Liu Mingyue , Wei Yanhui , Li Shengtao , Hao Chuncheng , Lei Qingquan
Published: November 2021

Space charge accumulation in the insulation layer of high‐voltage direct current (HVDC) cable is one of the key factors restricting the development of HVDC cable. The inner semi‐conductive layer as an important structure of cable will affect the charge accumulation characteristics in the insulation layer. This work intends to explore the method of modifying the semi‐conductive layer with graphene, to suppress charge accumulation in the insulation layer. First, the semi‐conductive layer with different contents of Graphene (G) and carbon black (CB) are prepared. Second, the morphology and surface roughness of the cross section are analysed. Further, the effects of the semi‐conductive layer on space charge accumulation of the insulation layer are studied by pulsed electro‐acoustic method and thermal stimulation depolarisation current method. The experimental results show that a moderate amount of graphene replacing CB can effectively reduce charge accumulation in the insulation layer and inhibit positive temperature coefficient (PTC) effect at the same time. The surface roughness of specimens decreases with the increase of G content from 0 to 3 phr (parts per hundreds of resin), when the CB content decreases from 25 to 10 phr, the surface roughness of specimen increases. The resistivity test shows that doping G can significantly inhibit the PTC effect of the semi‐conductive layer. The volume resistivity of the semi‐conductive layer decreases with the increase of G content and CB content. In addition, charge accumulation of the insulation layer rises and then drops under the action of the semi‐conductive layer.
Hybridization of battery with pico hydel for frequency regulation of microgrids using synchronverter control
Authors: Vasudevan Krishnakumar R. , Ramachandaramurthy Vigna K. , Venugopal Gomathi , Guerrero Josep M.
Published: November 2021

Frequency regulation of autonomous microgrids with intermittent renewables is a tedious task, which requires additional support from energy storage systems (ESS). Ideally, the system requires a faster‐acting ESS to arrest the initial frequency deviation and high energy capacity ESS to restore the frequency to its nominal value. Pico hydel energy storage (PHES) is one such high energy capacity ESS developed from the agricultural pumping systems. However, PHES has a slower response and cannot switch rapidly between pumping and generation modes. Hence, this paper incorporates a battery with PHES to achieve a faster dynamic response and absorb high‐frequency power dynamics. Additionally, a frequency regulation strategy with synchronverter control is proposed to mimic synchronous machines, especially to reduce the rate of change of frequency (ROCOF) and frequency nadir. Firstly, a small‐signal modelling approach is proposed, and it was utilized to assess the system stability through eigenvalue analysis. Subsequently, transient simulations were carried out to gauge the performance of the synchronverter strategy with vector control for frequency regulation. As a result, the frequency nadir and ROCOF were substantially reduced with the synchronverter strategy compared to the vector control based on the simulation results.