bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of carrier volume and application method on waterhyacinth (Eichhornia crassipes) response to 2,4-D, glyphosate, and diquat
Authors: Sperry Benjamin P. , Ferrell Jason A.
Published: January 2021

Mesocosm studies were conducted in 2020 to evaluate the effects of carrier volume and application method on waterhyacinth [Eichhornia crassipes (Mart.) Solms] response to 2,4-D, glyphosate, and diquat. Carrier volumes of 935, 467, and 187 L ha−1 were applied using either a conventional stream, conventional cone, adjustable cone, or a drizzle-stream spray pattern. Reducing carrier volume from 935 L ha−1 reduced spray coverage up to 60%, depending on application method. However, reducing carrier volume did not diminish efficacy of any herbicide or application method. Alternatively, E. crassipes control from 2,4-D increased 10% to 26% when applied using 187 L ha−1 compared with 935 L ha−1. Likewise, E. crassipes biomass was reduced 91% when 2,4-D was applied using 935 L ha−1; however, treatment applied at 187 L ha−1 resulted in 99% biomass reduction. In general, 2,4-D resulted in roughly 10% greater control when conventional or adjustable cone applications were used compared with either stream applications. Eichhornia crassipes control at 7 d after treatment (DAT) from diquat increased with decreasing carrier volumes; however, treatment effects in diquat experiments were not detected at other evaluation intervals. Glyphosate efficacy was highly influenced by carrier volume, as E. crassipes control increased up to 61% when applied using 187 L ha−1 compared with 935 L ha−1. Moreover, E. crassipes biomass reduction increased from 55% in the 935 L ha−1 treatment to 97% in the 187 L ha−1 treatments. Glyphosate application methods consisting of conventional stream or conventional cone sprayers resulted in slightly increased E. crassipes control by 28 DAT; however, no differences among application methods were observed in E. crassipes biomass data. These data support further evaluations of alternative application techniques for E. crassipes control under field conditions and for other herbicides and aquatic plant species.
Effective suppression of established invasive Phragmites australis leads to secondary invasion in a coastal marsh
Authors: Robichaud Courtney D. , Rooney Rebecca C.
Published: January 2021

Invasive species negatively impact vegetation communities. Invasive European common reed [Phragmites australis (Cav.) Trin. ex Steud. ssp. australis] is rapidly spreading throughout North American wetlands. As such, the suppression of P. australis populations is a goal of many managers, as its removal should provide an opportunity to restore native vegetation communities. In Ontario, managers applied a glyphosate-based herbicide to more than 400 ha of P. australis in ecologically significant coastal marshes, representing the first time this tool was used over standing water to suppress an invasive species in Canada. Using a before–after–control–impact monitoring design, we evaluated the efficacy of glyphosate-based herbicide at removing P. australis along a water-depth gradient and assessed the recovery of the vegetation community for 2 yr after treatment in relation to reference conditions. We found that herbicide suppressed more than 99% of P. australis 1 yr after treatment and worked effectively along the entire water-depth gradient (10 to 48 cm). However, the post-treatment vegetation community remains distinctive from reference marsh 2 yr after treatment. In many plots where P. australis was removed, nonnative European frog-bit (Hydrocharis morsus-ranae L.) is now dominant, likely aided by high lake-water levels.
Gender difference in the association of dietary intake of antioxidant vitamins with kidney function in middle-aged and elderly Japanese
Authors: Hara Akinori , Tsujiguchi Hiromasa , Suzuki Keita , Suzuki Fumihiko , Kasahara Tomoko , Oanh Pham Kim , Miyagi Sakae , Kannon Takayuki , Tajima Atsushi , Wada Takashi , Nakamura Hiroyuki
Published: January 2021

Dietary intake modification is important for the treatment of chronic kidney disease (CKD); however, little is known about the association between dietary intake of antioxidant vitamins and kidney function based on gender difference. We examined the relationship of dietary intake of antioxidant vitamins with decreased kidney function according to gender in Japanese subjects. This population-based, cross-sectional study included 936 Japanese participants with the age of 40 years or older. A validated brief self-administered diet history questionnaire was used to measure dietary intakes of vitamin E and its four isoforms, vitamin A and vitamin C. Decreased kidney function was defined as estimated glomerular filtration rate <60 ml/min/1·73 m2. A total of 498 (53·2 %) of the study participants were women. Mean age was 62·4 ± 11·3 years. Overall, 157 subjects met the criteria of decreased kidney function. In the fully adjusted model, a high vitamin E intake is inversely associated with decreased kidney function in women (odds ratio, 0·886; 95 % confidence interval, 0·786–0·998), whereas vitamin E intake was not associated with decreased kidney function (odds ratio, 0·931; 95 % confidence interval, 0·811–1·069) in men. No significant association between dietary intake of vitamins A and C and decreased kidney function was observed in women and men. Higher dietary intake of vitamin E was inversely associated with decreased kidney function in middle-aged and older women, and the result may provide insight into the more tailored dietary approaches to prevent CKD.
Morphological conservatism of the family Naticidae (Gastropoda) through time: potential causes and consequences
Authors: Sharma Neha , Mondal Subhronil , Das Shiladri S. , Bose Kanishka , Saha Sandip
Published: January 2021

Taxonomic status of several members of the family Naticidae is extremely vague because of its simple shell morphology. Conventional taxonomic classification schemes suggest that most of the morphological characters tend to be homoplastic and exhibit convergence. Such morphological convergence complicates naticid taxonomy and makes it difficult to understand the evolutionary history of this group; several unrelated taxa are often misidentified as naticids, thereby exaggerating the actual diversity of this group. Here, we employ a standard landmark-based approach to understand the pattern of morphological evolution of this family. Ordination methods such as principal components analysis and canonical variate analysis were used to create morphospaces, and disparity was quantified using variance and range. Our results reveal that when naticids are compared with their sister taxon, Ampullinidae, the two families show significant differences in their average shapes, despite their superficial resemblances. Among naticids, although the mean shapes of the individual subfamilies are different, overall, the family Naticidae has displayed extreme morphological conservatism from the Jurassic to the Holocene. Interestingly, this conservatism has been unaffected by taxonomic changes—neither the extinction of the subfamily Gyrodinae nor the appearance of the subfamily Sininae affected this morphological conservatism. Naticids have always shown strong ecological preference toward an infaunal mode of life and strict behavioral selectivity in handling and preying upon infaunal organisms, and this ecological and behavioral conservatism could have enabled them to diversify without undergoing a change in their basicBauplan.
Imagination and Memory: Inter-movement Thematic Recall in Beethoven and Brahms
Authors: Beller-McKenna Daniel
Published: January 2021

Like several of his predecessors, Brahms reintroduces themes from one movement into a later one in several of his instrumental works. Historical circumstances and changing historical consciousness affected a composer's use of thematic recall. For Beethoven (per Elaine Sisman) recalling an earlier theme provided the creative stimulus to move forward to the end of a piece, in accordance with the linear concept of history that defined Beethoven's Enlightenment world view. Brahms's use of inter-movement thematic recall often expresses a more wistful and melancholy view of the past and focuses on the ability of recall to provide a dramatic narrative. In his earliest use of cyclical return, the Op. 5 Piano Sonata (1853), the Andante second movement is echoed and transformed by the ‘Ruckblick’ fourth movement, as Brahms plays on the poetic inscription of the former movement to raise the specter of lost love and mortality. In a more complex web of thematic recall, the op. 78 Violin Sonata (1878) combines allusions to a pre-existing pair of interrelated songs from his Op. 59 with a newly composed, recurring instrumental theme to create a multi-layered, somber character in the piece. Both of those works draw on an earlier, romantic sense of yearning for return. Near the end of his career, however, the quiet emergence and eventual dissipation of opening material at the close of the Op. 115 Clarinet Quintet (1891) reflects Brahms's awareness of his place at the end of an artistic tradition, and thereby conveys a post-Romantic conception of history.
Researching American Muslims: A Case Study of Surveillance and Racialized State Control
Authors: Al-Faham Hajer
Published: January 2021

How does surveillance shape political science research in the United States? In comparative and international politics, there is a rich literature concerning the conduct of research amid conditions of conflict and state repression. As this literature locates “the field” in distant contexts “over there,” the United States continues to be saturated with various forms of state control. What this portends for American politics research has thus far been examined by a limited selection of scholars. Expanding on their insights, I situate “the field” in the United States and examine surveillance of American Muslims, an understudied case of racialized state control. Drawing on qualitative data from a case study of sixty-nine interviews with Arab and Black American Muslims, I argue that surveillance operated as a two-stage political mechanism that mapped onto research methodologically and substantively. In the first stage, surveillance reconfigured the researcher-researchee dynamic, hindered recruitment and access, and limited data-collection. In the second stage, surveillance colored the self-perceptions, political attitudes, and civic engagement of respondents, thereby indicating a political socialization unfolding among Muslims. The implications of this study suggest that researchers can mitigate against some, but not all, of the challenges presented by surveillance and concomitant forms of state control.
Intensive Betreuungen dokumentieren
Authors: Nienaber André , Franz Shiney , Chu Simon
Published: January 2021

﻿Was ist zu diesem Thema bereits bekannt?﻿

Intensivbetreuungen kommen in der Begleitung von Personen in psychiatrischen Krisen immer wieder vor und haben das Ziel, Patient_innen in extremen Ausnahmesituationen zu schützen und zu unterstützen.

Wie wird eine neue Perspektive eingebracht?

MSORT ist ein „Tool“, ein Werkzeug in Form einer Checkliste für die psychiatrische Praxis zur Unterstützung und Verbesserung der Dokumentation und Kommunikation von Intensivbetreuungen.

Was sind die Auswirkungen für die Praxis?

Im besten Fall unterstützt MSORT die Dokumentation der intensiven Betreuung und fördert auf diese Weise auch die Kommunikation der Maßnahme, sowohl in der direkten Patientenversorgung als auch im multiprofessionellen Team.
Targeting the ubiquitination/deubiquitination process to regulate immune checkpoint pathways
Authors: Liu Jiaxin , Cheng Yicheng , Zheng Ming , Yuan Bingxiao , Wang Zimu , Li Xinying , Yin Jie , Ye Mingxiang , Song Yong
Published: January 2021

The immune system initiates robust immune responses to defend against invading pathogens or tumor cells and protect the body from damage, thus acting as a fortress of the body. However, excessive responses cause detrimental effects, such as inflammation and autoimmune diseases. To balance the immune responses and maintain immune homeostasis, there are immune checkpoints to terminate overwhelmed immune responses. Pathogens and tumor cells can also exploit immune checkpoint pathways to suppress immune responses, thus escaping immune surveillance. As a consequence, therapeutic antibodies that target immune checkpoints have made great breakthroughs, in particular for cancer treatment. While the overall efficacy of immune checkpoint blockade (ICB) is unsatisfactory since only a small group of patients benefited from ICB treatment. Hence, there is a strong need to search for other targets that improve the efficacy of ICB. Ubiquitination is a highly conserved process which participates in numerous biological activities, including innate and adaptive immunity. A growing body of evidence emphasizes the importance of ubiquitination and its reverse process, deubiquitination, on the regulation of immune responses, providing the rational of simultaneous targeting of immune checkpoints and ubiquitination/deubiquitination pathways to enhance the therapeutic efficacy. Our review will summarize the latest findings of ubiquitination/deubiquitination pathways for anti-tumor immunity, and discuss therapeutic significance of targeting ubiquitination/deubiquitination pathways in the future of immunotherapy.
ADO/hypotaurine: a novel metabolic pathway contributing to glioblastoma development
Authors: Shen Dachuan , Tian Lili , Yang Fangyu , Li Jun , Li Xiaodong , Yao Yiqun , Lam Eric W.-F. , Gao Peng , Jin Bilian , Wang Ruoyu
Published: January 2021

Significant advance has been made towards understanding glioblastoma metabolism through global metabolomic profiling. However, hitherto little is known about the role by which altered metabolism plays in driving the aggressive glioma phenotype. We have previously identified hypotaurine as one of the top-ranked metabolites for differentiating low- and high-grade tumors, and that there is also a strong association between the levels of intratumoral hypotaurine and expression of its biosynthetic enzyme, cysteamine (2-aminoethanethiol) dioxygenase (ADO). Using transcription profiling, we further uncovered that the ADO/hypotaurine axis targets CCL20 secretion through activating the NF-κB pathway to drive the self-renewal and maintenance of glioma ‘cancer stem cells’ or glioma cancer stem-like cells. Conversely, abrogating the ADO/hypotaurine axis using CRISPR/Cas9-mediated gene editing limited glioblastoma cell proliferation and self-renewal in vitro and tumor growth in vivo in an orthotopical mouse model, indicating that this metabolic pathway is a potential key therapeutic target. Collectively, our results unveil a targetable metabolic pathway, which contributes to the growth and progression of aggressive high-grade gliomas, as well as a novel predictive marker for glioblastoma diagnosis and therapy.
High spin mixing conductance and spin interface transparency at the interface of a Co2Fe0.4Mn0.6Si Heusler alloy and Pt
Authors: Singh Braj Bhusan , Roy Koustuv , Gupta Pushpendra , Seki Takeshi , Takanashi Koki , Bedanta Subhankar
Published: January 2021

Ferromagnetic materials exhibiting low magnetic damping (α) and moderately high-saturation magnetization are required from the viewpoints of generation, transmission, and detection of spin waves. Since spin-to-charge conversion efficiency is another important parameter, high spin mixing conductance $$({g_{r}^{\uparrow \downarrow}})$$

(

g

r

↑
↓

)

is the key for efficient spin-to-charge conversion. Full Heusler alloys, e.g., Co2Fe0.4Mn0.6Si (CFMS), which are predicted to be 100% spin-polarized, exhibit low α. However, $$g_r^{ \uparrow \downarrow }$$

g

r

↑
↓

at the interface between CFMS and a paramagnet is not fully understood. Here, we report investigations of spin pumping and the inverse spin Hall effect in CFMS/Pt bilayers. Damping analysis indicates the presence of significant spin pumping at the interface of CFMS and Pt, which is also confirmed by the detection of an inverse spin Hall voltage. We show that in CFMS/Pt, $$g_r^{ \uparrow \downarrow }$$

g

r

↑
↓

(1.70 × 1020 m−2) and the interface transparency (83%) are higher than the values reported for other ferromagnetic/heavy metal systems. We observed a spin Hall angle of ~0.026 for the CFMS/Pt bilayer system.
AutoMap is a high performance homozygosity mapping tool using next-generation sequencing data
Authors: Quinodoz Mathieu , Peter Virginie G. , Bedoni Nicola , Royer Bertrand Béryl , Cisarova Katarina , Salmaninejad Arash , Sepahi Neda , Rodrigues Raquel , Piran Mehran , Mojarrad Majid , Pasdar Alireza , Ghanbari Asad Ali , Sousa Ana Berta , Coutinho Santos Luisa , Superti-Furga Andrea , Rivolta Carlo
Published: January 2021

Homozygosity mapping is a powerful method for identifying mutations in patients with recessive conditions, especially in consanguineous families or isolated populations. Historically, it has been used in conjunction with genotypes from highly polymorphic markers, such as DNA microsatellites or common SNPs. Traditional software performs rather poorly with data from Whole Exome Sequencing (WES) and Whole Genome Sequencing (WGS), which are now extensively used in medical genetics. We develop AutoMap, a tool that is both web-based or downloadable, to allow performing homozygosity mapping directly on VCF (Variant Call Format) calls from WES or WGS projects. Following a training step on WES data from 26 consanguineous families and a validation procedure on a matched cohort, our method shows higher overall performances when compared with eight existing tools. Most importantly, when tested on real cases with negative molecular diagnosis from an internal set, AutoMap detects three gene-disease and multiple variant-disease associations that were previously unrecognized, projecting clear benefits for both molecular diagnosis and research activities in medical genetics.
Point-to-point stabilized optical frequency transfer with active optics
Authors: Dix-Matthews Benjamin P. , Schediwy Sascha W. , Gozzard David R. , Savalle Etienne , Esnault François-Xavier , Lévèque Thomas , Gravestock Charles , D’Mello Darlene , Karpathakis Skevos , Tobar Michael , Wolf Peter
Published: January 2021

Timescale comparison between optical atomic clocks over ground-to-space and terrestrial free-space laser links will have enormous benefits for fundamental and applied sciences. However, atmospheric turbulence creates phase noise and beam wander that degrade the measurement precision. Here we report on phase-stabilized optical frequency transfer over a 265 m horizontal point-to-point free-space link between optical terminals with active tip-tilt mirrors to suppress beam wander, in a compact, human-portable set-up. A phase-stabilized 715 m underground optical fiber link between the two terminals is used to measure the performance of the free-space link. The active optical terminals enable continuous, cycle-slip free, coherent transmission over periods longer than an hour. In this work, we achieve residual instabilities of 2.7 × 10−6 rad2 Hz−1 at 1 Hz in phase, and 1.6 × 10−19 at 40 s of integration in fractional frequency; this performance surpasses the best optical atomic clocks, ensuring clock-limited frequency comparison over turbulent free-space links.
Molecular embroidering of graphene
Authors: Wei Tao , Kohring Malte , Weber Heiko B. , Hauke Frank , Hirsch Andreas
Published: January 2021

Structured covalent two-dimensional patterning of graphene with different chemical functionalities constitutes a major challenge in nanotechnology. At the same time, it opens enormous opportunities towards tailoring of physical and chemical properties with limitless combinations of spatially defined surface functionalities. However, such highly integrated carbon-based architectures (graphene embroidery) are so far elusive. Here, we report a practical realization of molecular graphene embroidery by generating regular multiply functionalized patterns consisting of concentric regions of covalent addend binding. These spatially resolved hetero-architectures are generated by repetitive electron-beam lithography/reduction/covalent-binding sequences starting with polymethyl methacrylate covered graphene deposited on a Si/SiO2 substrate. The corresponding functionalization zones carry bromobenzene-, deutero-, and chloro-addends. We employ statistical Raman spectroscopy together with scanning electron microscopy/energy dispersive X-ray spectroscopy for an unambiguous characterization. The exquisitely ordered nanoarchitectures of these covalently multi-patterned graphene sheets are clearly visualized.
Robust all-optical single-shot readout of nitrogen-vacancy centers in diamond
Authors: Irber Dominik M. , Poggiali Francesco , Kong Fei , Kieschnick Michael , Lühmann Tobias , Kwiatkowski Damian , Meijer Jan , Du Jiangfeng , Shi Fazhan , Reinhard Friedemann
Published: January 2021

High-fidelity projective readout of a qubit’s state in a single experimental repetition is a prerequisite for various quantum protocols of sensing and computing. Achieving single-shot readout is challenging for solid-state qubits. For Nitrogen-Vacancy (NV) centers in diamond, it has been realized using nuclear memories or resonant excitation at cryogenic temperature. All of these existing approaches have stringent experimental demands. In particular, they require a high efficiency of photon collection, such as immersion optics or all-diamond micro-optics. For some of the most relevant applications, such as shallow implanted NV centers in a cryogenic environment, these tools are unavailable. Here we demonstrate an all-optical spin readout scheme that achieves single-shot fidelity even if photon collection is poor (delivering less than 103 clicks/second). The scheme is based on spin-dependent resonant excitation at cryogenic temperature combined with spin-to-charge conversion, mapping the fragile electron spin states to the stable charge states. We prove this technique to work on shallow implanted NV centers, as they are required for sensing and scalable NV-based quantum registers.
Artemisinin-resistant K13 mutations rewire Plasmodium falciparum’s intra-erythrocytic metabolic program to enhance survival
Authors: Mok Sachel , Stokes Barbara H. , Gnädig Nina F. , Ross Leila S. , Yeo Tomas , Amaratunga Chanaki , Allman Erik , Solyakov Lev , Bottrill Andrew R. , Tripathi Jaishree , Fairhurst Rick M. , Llinás Manuel , Bozdech Zbynek , Tobin Andrew B. , Fidock David A.
Published: January 2021

The emergence and spread of artemisinin resistance, driven by mutations in Plasmodium falciparum K13, has compromised antimalarial efficacy and threatens the global malaria elimination campaign. By applying systems-based quantitative transcriptomics, proteomics, and metabolomics to a panel of isogenic K13 mutant or wild-type P. falciparum lines, we provide evidence that K13 mutations alter multiple aspects of the parasite’s intra-erythrocytic developmental program. These changes impact cell-cycle periodicity, the unfolded protein response, protein degradation, vesicular trafficking, and mitochondrial metabolism. K13-mediated artemisinin resistance in the Cambodian Cam3.II line was reversed by atovaquone, a mitochondrial electron transport chain inhibitor. These results suggest that mitochondrial processes including damage sensing and anti-oxidant properties might augment the ability of mutant K13 to protect P. falciparum against artemisinin action by helping these parasites undergo temporary quiescence and accelerated growth recovery post drug elimination.
Impact of the repurposed drug thonzonium bromide on host oral-gut microbiomes
Authors: Simon-Soro Aurea , Kim Dongyeop , Li Yong , Liu Yuan , Ito Tatsuro , Sims Kenneth R. , Benoit Danielle S. W. , Bittinger Kyle , Koo Hyun
Published: January 2021

Drug repurposing is a feasible strategy for the development of novel therapeutic applications. However, its potential use for oral treatments and impact on host microbiota remain underexplored. Here, we assessed the influences of topical oral applications of a repurposed FDA-approved drug, thonzonium bromide, on gastrointestinal microbiomes and host tissues in a rat model of dental caries designed to reduce cross-contamination associated with coprophagy. Using this model, we recapitulated the body site microbiota that mirrored the human microbiome profile. Oral microbiota was perturbed by the treatments with specific disruption of Rothia and Veillonella without affecting the global composition of the fecal microbiome. However, disturbances in the oral-gut microbial interactions were identified using nestedness and machine learning, showing increased sharing of oral taxon Sutterella in the gut microbiota. Host-tissue analyses revealed caries reduction on teeth by thonzonium bromide without cytotoxic effects, indicating bioactivity and biocompatibility when used orally. Altogether, we demonstrate how an oral treatment using a repurposed drug causes localized microbial disturbances and therapeutic effects while promoting turnover of specific oral species in the lower gut in vivo.
Neural network reactive force field for C, H, N, and O systems
Authors: Yoo Pilsun , Sakano Michael , Desai Saaketh , Islam Md Mahbubul , Liao Peilin , Strachan Alejandro
Published: January 2021

Reactive force fields have enabled an atomic level description of a wide range of phenomena, from chemistry at extreme conditions to the operation of electrochemical devices and catalysis. While significant insight and semi-quantitative understanding have been drawn from such work, the accuracy of reactive force fields limits quantitative predictions. We developed a neural network reactive force field (NNRF) for CHNO systems to describe the decomposition and reaction of the high-energy nitramine 1,3,5-trinitroperhydro-1,3,5-triazine (RDX). NNRF was trained using energies and forces of a total of 3100 molecules (11,941 geometries) and 15 condensed matter systems (32,973 geometries) obtained from density functional theory calculations with semi-empirical corrections to dispersion interactions. The training set is generated via a semi-automated iterative procedure that enables refinement of the NNRF until a desired accuracy is attained. The root mean square (RMS) error of NNRF on a testing set of configurations describing the reaction of RDX is one order of magnitude lower than current state of the art potentials.
Metal-to-insulator transition in Pt-doped TiSe2 driven by emergent network of narrow transport channels
Authors: Lee Kyungmin , Choe Jesse , Iaia Davide , Li Juqiang , Zhao Junjing , Shi Ming , Ma Junzhang , Yao Mengyu , Wang Zhenyu , Huang Chien-Lung , Ochi Masayuki , Arita Ryotaro , Chatterjee Utpal , Morosan Emilia , Madhavan Vidya , Trivedi Nandini
Published: January 2021

Metal-to-insulator transitions (MIT) can be driven by a number of different mechanisms, each resulting in a different type of insulator—Change in chemical potential can induce a transition from a metal to a band insulator; strong correlations can drive a metal into a Mott insulator with an energy gap; an Anderson transition, on the other hand, due to disorder leads to a localized insulator without a gap in the spectrum. Here, we report the discovery of an alternative route for MIT driven by the creation of a network of narrow channels. Transport data on Pt substituted for Ti in 1T-TiSe2 shows a dramatic increase of resistivity by five orders of magnitude for few % of Pt substitution, with a power-law dependence of the temperature-dependent resistivity ρ(T). Our scanning tunneling microscopy data show that Pt induces an irregular network of nanometer-thick domain walls (DWs) of charge density wave (CDW) order, which pull charge carriers out of the bulk and into the DWs. While the CDW domains are gapped, the charges confined to the narrow DWs interact strongly, with pseudogap-like suppression in the local density of states, even when they were weakly interacting in the bulk, and scatter at the DW network interconnects thereby generating the highly resistive state. Angle-resolved photoemission spectroscopy spectra exhibit pseudogap behavior corroborating the spatial coexistence of gapped domains and narrow domain walls with excess charge carriers.
A dynamic multi-tissue model to study human metabolism
Authors: Martins Conde Patricia , Pfau Thomas , Pires Pacheco Maria , Sauter Thomas
Published: January 2021

Metabolic modeling enables the study of human metabolism in healthy and in diseased conditions, e.g., the prediction of new drug targets and biomarkers for metabolic diseases. To accurately describe blood and urine metabolite dynamics, the integration of multiple metabolically active tissues is necessary. We developed a dynamic multi-tissue model, which recapitulates key properties of human metabolism at the molecular and physiological level based on the integration of transcriptomics data. It enables the simulation of the dynamics of intra-cellular and extra-cellular metabolites at the genome scale. The predictive capacity of the model is shown through the accurate simulation of different healthy conditions (i.e., during fasting, while consuming meals or during exercise), and the prediction of biomarkers for a set of Inborn Errors of Metabolism with a precision of 83%. This novel approach is useful to prioritize new biomarkers for many metabolic diseases, as well as for the integration of various types of personal omics data, towards the personalized analysis of blood and urine metabolites.
Enhancing removal efficiency of anionic dye (Cibacron blue) using waste potato peels powder
Authors: Bouhadjra Kahina , Lemlikchi Wahiba , Ferhati Azedine , Mignard Samuel
Published: January 2021

In the present study, the potato peel waste (PP) was used for the removal of the anionic dye Cibacron Blue P3R from an aqueous solution, activated with phosphoric acid (PPa) and calcined at 800 °C (PPc). The materials were characterized by Scanning Electron Microscope, Energy dispersive X-ray analysis and Fourier Transform Infrared Spectroscopy. The effects of various experimental parameters (pH, dye concentration, contact time) were also studied. The experimental results have shown that PPc has a greater capacity compared to pp and ppa. The capacity of PP bio-char (PPc) is 270.3 mg g−1 compared to PP (100 mg g−1) and PPa (125 mg g−1). Equilibrium experiments at 180 min for all materials were carried out at optimum pH (2.2): 76.41, 88.6 and 94% for PP, PPa and PPc respectively; and the Langmuir models agreed very well with experimental data. The ability of sorbent for the sorption of CB dye follows this order: calcined > activated > native materials. Potato peel biochar (PPc) can be considered a promising adsorbent for removing persistent dyes from water.
Potential design problems for ITER fusion device
Authors: Hassanein A. , Sizyuk V.
Published: January 2021

The international thermonuclear experimental reactor (ITER) is a worldwide project currently being built in France for the demonstration of the feasibility of thermonuclear technologies for future realization of successful commercial fusion energy. ITER is of the tokamak based design using strong magnetic fields to confine the very hot plasma needed to induce the fusion reaction. Tokamak devices are currently the front leading designs. Building a successful magnetic fusion device for energy production is of great challenge. A key obstacle to such design is the performance during abnormal events including plasma disruptions and so-called edge-localized modes (ELMs). In these events, a massive and sudden release of energy occurs quickly, due to loss of full or partial plasma confinement, leading to very high transient power loads on the reactor surface boundaries. A successful reactor design should tolerate several of these transient events without serious damages such as melting and vaporization of the structure. This paper highlights, through comprehensive state-of-the-art computer simulation of the entire ITER interior design during such transient events, e.g., ELMs occurring at normal operation and disruptions during abnormal operation, potential serious problems with current plasma facing components (PFCs) design. The HEIGHTS computer package is used in these simulations. The ITER reactor design was simulated in full and exact 3D geometry including all known relevant physical processes involved during these transient events. The current ITER divertor design may not work properly and may requires significant modifications or new innovative design to prevent serious damage and to ensure successful operation.
Suppression of IL-23-mediated psoriasis-like inflammation by regulatory B cells
Authors: Mizumaki Kie , Horii Motoki , Kano Miyu , Komuro Akito , Matsushita Takashi
Published: January 2021

Psoriasis is an inflammatory cutaneous disease mediated by T-cell dependent immune responses; however, B cells are also considered to play an important role its development. Regulatory B cells (Bregs) regulate immune responses negatively through interleukin-10 (IL-10) production. This study aimed to investigate the role of Bregs in IL-23-mediated psoriasis-like inflammation in mice. Psoriasis-like inflammation was induced in B cell-specific phosphatase and tensin homolog (PTEN)-deficient mice, in which Bregs were significantly expanded, and in their controls, by intradermal injection of 20 μL phosphate-buffered saline (PBS) containing 0.5 μg rmIL-23 into one ear, every other day for 16 days. IL-23-mediated psoriasis-like inflammation was suppressed in B cell-specific PTEN-deficient mice along with decreased ear thickness and epidermal thickness on day 15. Moreover, adoptive transfer of B1 B cells suppressed IL-23-mediated psoriasis-like inflammation. rmIL-23-injected B cell-specific PTEN-deficient mice showed expanded regulatory T cells (Tregs) in the spleen and draining lymph nodes along with increased Bregs. Further, T helper (Th) 17 differentiation in the rmIL-23-injected ear was suppressed in B cell-specific PTEN-deficient mice. Overall, these results indicate that increased Bregs suppress IL-23-mediated psoriasis-like inflammation through Treg expansion and inhibition of Th17 differentiation. Thus, targeting Bregs may be a feasible treatment strategy for psoriasis.
Decreased peripheral perfusion measured by perfusion index is a novel indicator for cardiovascular death in patients with type 2 diabetes and established cardiovascular disease
Authors: Okada Hiroshi , Tanaka Muhei , Yasuda Takashi , Okada Yuki , Norikae Hisahiro , Fujita Tetsuya , Nishi Takashi , Oyamada Hirokazu , Yamane Tetsuro , Fukui Michiaki
Published: January 2021

Cardiovascular disease (CVD) is still the major cause of mortality in patients with type 2 diabetes. Despite of recent therapies, mortality and resources spent on healthcare due to CVD is still important problem. Thus, appropriate markers are needed to predict poor outcomes. Therefore, we investigated the role of peripheral perfusion as an indicator for cardiovascular death in patients with type 2 diabetes and established CVD. This retrospective cohort study included 1080 patients with type 2 diabetes and history of CVD recruited from the outpatient clinic at Matsushita Memorial Hospital in Osaka, Japan. Peripheral perfusion is assessed using the perfusion index (PI), which represents the level of circulation through peripheral tissues. The median age and PI values were 74 years (range: 67–79 years) and 2.6% (range: 1.1–4.3%), respectively. During follow-up duration, 60 patients died due to CVD. The adjusted Cox regression analysis demonstrated that the risk of developing cardiovascular death was higher in the first quartile (Hazard ratio, 6.23; 95% CI, 2.28 to 22.12) or second quartile (Hazard ratio, 3.04; 95% CI, 1.46 to 6.85) of PI than that in the highest quartile (fourth quartile) of PI. PI (per 1% decrease) was associated with the development of cardiovascular death (Hazard ratio, 1.39; 95% CI, 1.16 to 1.68). PI could be a novel indicator of cardiovascular death in patients with type 2 diabetes and established CVD.
Low-reflective wire-grid polariser sheet in the visible region fabricated by a nanoprinting process
Authors: Hokari Ryohei , Takakuwa Kyohei , Kato Hirohisa , Yamamoto Akitaka , Yamaguchi Yusuke , Kurihara Kazuma
Published: January 2021

For the construction of next-generation optical products and systems, the evolution of polariser sheets is a necessary requirement. To this end, a low-reflective wire-grid polariser (WGP) sheet for the visible light region is demonstrated, the nanowires of which consist of a sintered body of silver nanoparticle ink. The nanowires are formed by a nanoprinting process using a thermal nanoimprint method and ink filling. This process makes it easier to achieve multiple wafer-scale productions without using sophisticated equipment compared to conventional WGP nanofabrication techniques, which typically employ lithography and elaborate etching processes. The optical characteristics are controlled by the shape of the printed nanowires. A WGP sheet with a luminous degree of polarisation of 99.0%, a total luminous transmittance of 13.6%, and a luminous reflectance of 3.6% is produced. Its low reflectance is achieved through the uneven surface derived from the sintered body of the nanoparticle ink, and the shape of the bottom of the nanowire is derived from the tip shape of the mould structure. Furthermore, the printed WGP sheet has the durability required for the manufacturing of curved products, including sunglasses. The optical structures made of nanoparticle ink using this nanoprinting process have the potential to significantly contribute to the development of fine-structured optical elements with unprecedented functionality.
Prediction of 3D Cardiovascular hemodynamics before and after coronary artery bypass surgery via deep learning
Authors: Li Gaoyang , Wang Haoran , Zhang Mingzi , Tupin Simon , Qiao Aike , Liu Youjun , Ohta Makoto , Anzai Hitomi
Published: January 2021

The clinical treatment planning of coronary heart disease requires hemodynamic parameters to provide proper guidance. Computational fluid dynamics (CFD) is gradually used in the simulation of cardiovascular hemodynamics. However, for the patient-specific model, the complex operation and high computational cost of CFD hinder its clinical application. To deal with these problems, we develop cardiovascular hemodynamic point datasets and a dual sampling channel deep learning network, which can analyze and reproduce the relationship between the cardiovascular geometry and internal hemodynamics. The statistical analysis shows that the hemodynamic prediction results of deep learning are in agreement with the conventional CFD method, but the calculation time is reduced 600-fold. In terms of over 2 million nodes, prediction accuracy of around 90%, computational efficiency to predict cardiovascular hemodynamics within 1 second, and universality for evaluating complex arterial system, our deep learning method can meet the needs of most situations.
Direct measurements reveal instabilities and turbulence within large amplitude internal solitary waves beneath the ocean
Authors: Chang Ming-Huei , Cheng Yu-Hsin , Yang Yiing Jang , Jan Sen , Ramp Steven R. , Reeder D. Benjamin , Hsieh Wan-Ting , Ko Dong S. , Davis Kristen A. , Shao Huan-Jie , Tseng Ruo-Shan
Published: January 2021

Internal solitary waves are ubiquitous in coastal regions and marginal seas of the world’s oceans. As the waves shoal shoreward, they lose the energy obtained from ocean tides through globally significant turbulent mixing and dissipation and consequently pump nutrient-rich water to nourish coastal ecosystem. Here we present fine-scale, direct measurements of shoaling internal solitary waves in the South China Sea, which allow for an examination of the physical processes triggering the intensive turbulent mixing in their interior. These are convective breaking in the wave core and the collapse of Kelvin–Helmholtz billows in the wave rear and lower periphery of the core, often occurring simultaneously. The former takes place when the particle velocity exceeds the wave’s propagating velocity. The latter is caused by the instability induced by the strong velocity shear overcoming the stratification. The instabilities generate turbulence levels four orders of magnitude larger than that in the open ocean.
Limits of reproducibility and hydrodynamic noise in atmospheric regional modelling
Authors: Geyer Beate , Ludwig Thomas , von Storch Hans
Published: January 2021

Reproducibility of research results is a fundamental quality criterion in science; thus, computer architecture effects on simulation results must be determined. Here, we investigate whether an ensemble of runs of a regional climate model with the same code on different computer platforms generates the same sequences of similar and dissimilar weather streams when noise is seeded using different initial states of the atmosphere. Both ensembles were produced using a regional climate model named COSMO-CLM5.0 model with ERA-Interim forcing. Divergent phase timing was dependent on the dynamic state of the atmosphere and was not affected by noise seeded by changing computers or initial model state variations. Bitwise reproducibility of numerical results is possible with such models only if everything is fixed (i.e., computer, compiler, chosen options, boundary values, and initial conditions) and the order of mathematical operations is unchanged between program runs; otherwise, at best, statistically identical simulation results can be expected.
CoMn phosphide encapsulated in nitrogen-doped graphene for electrocatalytic hydrogen evolution over a broad pH range
Authors: Liu Jingjing , Li Wenyao , Cui Zhe , Li Jiaojiao , Yang Fang , Huang Liping , Ma Caiyu , Zeng Min
Published: January 2021

A core–shell CoMn-P@NG heterostructure electrode demonstrated impressive performance of hydrogen evolution over a broad pH range and maintained excellent stability.
Depsipeptide synthesis using a late-stage Ag(i)-promoted macrolactonisation of peptide thioamides
Authors: Shabani Sadegh , Hutton Craig A.
Published: January 2021

Ag(i)-Triggered activation of the thioamide and attack by the C-terminal carboxylate generates an isoimide intermediate that undergoes an intramolecular acyl transfer to furnish the cyclic depsipeptide.
Intermetallic Fe6Ge5 formation and decay of a core–shell structure during the oxygen evolution reaction
Authors: Hausmann J. Niklas , Khalaniya Roman A. , Das Chittaranjan , Remy-Speckmann Ina , Berendts Stefan , Shevelkov Andrei V. , Driess Matthias , Menezes Prashanth W.
Published: January 2021

After 1 h alkaline oxygen evolution reaction (OER), intermetallic Fe6Ge5 forms a core–shell structure that collapses under continuous OER revealing that core–shell structures can be only snapshots on a pathway to full precatalyst transformation.
A low cost, high accuracy method for halogen bonding complexes
Authors: Robidas Raphaël , Legault Claude Y. , Huber Stefan M.
Published: January 2021

Using a minimalist ONIOM scheme combining DFT and AM1 yields almost identical structures to pure DFT for halogen bonding complexes.
An exact inversion method for extracting orientation ordering by small-angle scattering
Authors: Huang Guan-Rong , Carrillo Jan Michael , Wang Yangyang , Do Changwoo , Porcar Lionel , Sumpter Bobby , Chen Wei-Ren
Published: January 2021

We outline a nonparametric inversion strategy for determining the orientation distribution function (ODF) of sheared interacting rods using small-angle scattering techniques.
Binding of azobenzene andp-diaminoazobenzene to the human voltage-gated sodium channel Nav1.4
Authors: Palmisano Vito F. , Gómez-Rodellar Carlos , Pollak Hannah , Cárdenas Gustavo , Corry Ben , Faraji Shirin , Nogueira Juan J.
Published: January 2021

The binding of two photoswitches to the human voltage-gated sodium channel NaV1.4 was computationally investigated, and the main interactions involved in the process were unveiled and characterized.
Engineering of 3D NaxCoO2 nanostructures for enhanced capacitive deionization: performance and mechanism
Authors: Si Wei , Liu Zhenzhen , Zhang Zehao , Ji Wenxin , Li Haibo
Published: January 2021

The morphology and capacitive desalination mechanism of 3D Na0.6CoO2.
Education in green chemistry and in sustainable chemistry: perspectives towards sustainability
Authors: Zuin Vânia G. , Eilks Ingo , Elschami Myriam , Kümmerer Klaus
Published: January 2021

Central role of future professionals in chemistry to promote alternatives towards sustainability.
Controllable fusion of human brain organoids using acoustofluidics
Authors: Ao Zheng , Cai Hongwei , Wu Zhuhao , Ott Jonathan , Wang Huiliang , Mackie Ken , Guo Feng
Published: January 2021

Controllable fusion of human organoids using acoustofluidics.
An automated and portable antimicrobial susceptibility testing system for urinary tract infections
Authors: Hsu Kuo-Wei , Lee Wen-Bin , You Huey-Ling , Lee Mel S. , Lee Gwo-Bin
Published: January 2021

A portable, integrated microfluidic system capable of automatically conducting antimicrobial susceptibility testing (AST) and minimum inhibitory concentration (MIC) measurements using urine samples were developed.
Synthesis of monodisperse high entropy alloy nanocatalysts from core@shell nanoparticles
Authors: Chen Yifan , Zhan Xun , Bueno Sandra L. A. , Shafei Ibrahim H. , Ashberry Hannah M. , Chatterjee Kaustav , Xu Lin , Tang Yawen , Skrabalak Sara E.
Published: January 2021

Annealing core@shell nanoparticles (NPs) yields high-entropy alloy NPs. Owing to their dispersed Pt/Pd content and low elemental diffusivity, they exhibit enhanced electrocatalytic performance and durability for the oxygen reduction reaction.
Four probe electron transport characteristics of porphyrin phenylacetylene molecular devices
Authors: Li Shanshan , Yu Hong , Zhang Guiling , Hu Yangyang
Published: January 2021

A novel functional nano-electronic molecular system by tuning gate voltages and source voltages as well as changing lead-to-lead channels.
An orthogonal photoresponsive tristable [3]rotaxane with non-destructive readout
Authors: Li Wan-Xia , Yin Yong-Fei , Duan Hong-Ying , Liu Li-Juan , Kong Li-Chun , Zhan Tian-Guang , Zhang Kang-Da
Published: January 2021

An orthogonal photoresponsive [3]rotaxane is constructed by introducing two orthogonal photoswitchable azobenzene binding sites, and it features reversible photoregulated tristate absorption spectral changes with non-destructive readout capability.
α-C–H difluoroalkylation of alkyl sulfoxides via intermolecular Pummerer reaction
Authors: Huang Xin , Zhao Weizhao , Liang Yuchen , Wang Minghui , Zhan Yaling , Zhang Yage , Kong Lichun , Wang Zhi-Xiang , Peng Bo
Published: January 2021

A simple and practical intermolecular Pummerer reaction using difluoroenol silyl ethers as nucleophiles is described. The protocol allows for highly efficient α-difluoroalkylation of a wide spectrum of alkyl sulfoxides.
Negative ion formation by neutral hydrogen atom grazing scattering from a LiF(100) surface
Authors: Jin Bo , Zhou Hu , Zong Zewen , Zhang Xin , Wang Guangyi , Zhou Lihua , Chen Ximeng
Published: January 2021

H− conversion during H0 grazing scattering on a LiF(100) surface, includes H− affinity electron loss to a surface image state.
CS/Au/MWCNT nanohybrid as an efficient carrier for the sustained release of 5-FU and a study of its cytotoxicity on MCF-7
Authors: Nivethaa E. A. K. , Dhanavel S. , Narayanan V. , Narayana Kalkura S. , Sivasankari J. , Sivanandham N. , Stephen A.
Published: January 2021

The chemical reduction method has been used to adeptly synthesize a CS/Au/MWCNT nanocomposite, to be used as a carrier for the effectual delivery of the anticancer drug 5-Fluorouracil.
Microwave-assisted synthesis of ruthenium(ii) complexes containing levofloxacin-induced G2/M phase arrest by triggering DNA damage
Authors: Liu Ruotong , Yuan Chanling , Feng Yin , Qian Jiayi , Huang Xiaoting , Chen Qiutong , Zhou Shuyuan , Ding Yin , Zhai Bingbing , Mei Wenjie , Yao Liangzhong
Published: January 2021

This study showed that levofloxacin-based ruthenium(ii) complex 2 effectively inhibited the growth of A549 cells by inducing G2/M phase arrest through triggering DNA damage.