bluuebunny/crossref_metadata_2025 huggingface dataset:
The influence of polymer architecture in polymer mechanochemistry
Authors: Peterson Gregory I. , Choi Tae-Lim
Published: June 2021

This Feature Article describes how cyclic, intramolecularly cross-linked, dendritic, star, bottlebrush, and dendronized polymer architectures can influence the mechanochemical reactivity of polymers.
Sodium silylsilanolate enables nickel-catalysed silylation of aryl chlorides
Authors: Hitoshio Kenshiro , Yamagishi Hiroki , Shimokawa Jun , Yorimitsu Hideki
Published: June 2021

Nickel-catalysed silylation of aryl chlorides was achieved by using sodium silylsilanolate as a crucial silicon source.
Controllable synthesis of hydrangea-like NixSy hollow microflower all-solid-state asymmetric supercapacitor electrodes with enhanced performance by the synergistic effect of multiphase nickel
Authors: Cheng Lingli , Feng Xiaoxiao , Wang Jiaqi , Fu Shaqi , Li Zhen , Jiao Zheng
Published: June 2021

In this work, through controlling the urea content in the synthesis system, the nucleation rate of NixSy can be adjusted, and a series of NixSy with multiphase nickel and various sizes and surface morphologies can be achieved.
On the thermodynamics of folding of an i-motif DNA in solution under favorable conditions
Authors: Amato Jussara , D’Aria Federica , Marzano Simona , Iaccarino Nunzia , Randazzo Antonio , Giancola Concetta , Pagano Bruno
Published: June 2021

Differential scanning calorimetry and circular dichroism were used to unravel the folding thermodynamics of an i-motif DNA structure in solution under mildly acidic conditions that promote its formation.
Thermal properties and cold crystallization kinetics of deep eutectic solvents confined in nanopores
Authors: Lan Xue , Wang Xin , Du Weihong , Mu Tiancheng , Lan Xiao Zheng
Published: June 2021

Thermal properties, crystal structures and cold crystallization kinetics of deep eutectic solvents confined in nanopores alter significantly due to the size effect and interfacial interactions.
A new application of terahertz time-domain absorption spectra in luminescent complexes: characterization of the C–H⋯π weak interactions in Cu(i) complexes
Authors: Sun Zhen-Zhou , Zhu Ning , Pan Xun , Wang Guo , Li Zhong-Feng , Xin Xiu-Lan , Han Hong-Liang , Feng Yue-Bing , Jin Qiong-Hua , Yang Yu-Ping , Yang Wei
Published: June 2021

Using terahertz spectra to characterize the C–H⋯π weak interactions in the Cu(i) luminescent complexes.
A robust 3D zinc(ii)–organic framework for efficient dual detection of acetylacetone and Tb3+ ions
Authors: Fu Miao-Miao , Fu Lianshe , Cui Guang-Hua
Published: June 2021

A fluorescent Zn(ii) MOF with a new 3D pillared framework was synthesized and characterized, which displays excellent stability, high sensitivity and selectivity for sensing of acac and Tb3+ ions through fluorescence quenching and enhancement effects, respectively.
Superior lithium-storage properties derived from a g-C3N4-embedded honeycomb-shaped meso@mesoporous carbon nanofiber anode loaded with Fe2O3 for Li-ion batteries
Authors: Jiang Lei , Zhang Zhe , Liang Fenghao , Wu Daoning , Wang Ke , Tang Bohejin , Rui Yichuan , Liu Fengjiao
Published: June 2021

In this work, a honeycomb-shaped meso@mesoporous carbon nanofiber material incorporating homogeneously dispersed ultra-fine Fe2O3 nanoparticles (denoted as Fe2O3@g-C3N4@H-MMCN) is synthesised through a pyrolysis process.
Triazole-directed fabrication of polyoxovanadate-based metal–organic frameworks as efficient multifunctional heterogeneous catalysts for the Knoevenagel condensation and oxidation of alcohols
Authors: Li Jikun , Wei Chuanping , Han Yinfeng , Mei Yu , Cheng Xueli , Huang Xianqiang , Hu Changwen
Published: June 2021

Three polyoxovanadate-based metal–organic frameworks have been synthesized. [Ni3(4-NH2-trz)6][V6O18]·3H2O (1) exhibited extraordinary heterogeneous catalytic performance in Knoevenagel condensation and moderate catalytic activity in the oxidation of aromatic alcohols.
Non-noble MNP@MOF materials: synthesis and applications in heterogeneous catalysis
Authors: Habib Nejat Redwan , Asedegbega-Nieto Esther , Taddesse Abi M. , Diaz Isabel
Published: June 2021

There is a possible synergy derived when combining MNPs and MOFs in MNP@MOF materials for better heterogeneous catalysis. The use of non-noble metals for MNPs makes them a sustainable choice.
Luminescent gold–thallium derivatives with a pyridine-containing 12-membered aza-thioether macrocycle
Authors: Caddeo Francesco , Fernández-Moreira Vanesa , Arca Massimiliano , Pintus Anna , Laguna Antonio , Lippolis Vito , Gimeno M. Concepción
Published: June 2021

The heterometallic TlI/AuI complex {[Au(C6F5)2Tl]2(L)}n has an unprecedented polymeric structural motif with a metallic pseudo-rhombic Au2Tl2 core that repeats itself to form zig-zag polymers and shows a thermochromic behaviour.
Techno-ecologically synergistic food–energy–water systems can meet human and ecosystem needs
Authors: Lee Kyuha , Khanal Sami , Bakshi Bhavik R.
Published: June 2021

Techno-ecologically synergistic designs of the food–energy–water-waste nexus can be better than conventional techno-centric designs while meeting ecological and societal needs.
Reply to the ‘Comment on “Energy harvesting from shadow-effect”’ by A. K. Das, V. K. Sahu, R. S. Ajimshaa and P. Misra, Energy Environ. Sci., 2021, 10.1039/D0EE03214J
Authors: Nandakumar Dilip Krishna , Ravi Sai Kishore , Suresh Lakshmi , Tan Swee Ching
Published: June 2021

We discuss the comment of Das et al. on our recent paper.
Bioactive peptides from foods: production, function, and application
Authors: Jia Liting , Wang Lin , Liu Chun , Liang Ying , Lin Qinlu
Published: June 2021

Bioactive peptides are a class of peptides with special physiological functions and have potential applications in human health and disease prevention.
Noble metal-free Cu(i)-anchored NHC-based MOF for highly recyclable fixation of CO2 under RT and atmospheric pressure conditions
Authors: Das Rajesh , Nagaraja C. M.
Published: June 2021

Noble metal-free, Cu(i) anchored N-heterocyclic carbene (NHC)-MOF exhibiting highly efficient fixation of CO2 into oxazolidinones, important building blocks for antibiotics at RT and atmospheric pressure conditions is presented.
Examining slit pore widths within plasma-exfoliated graphitic material utilising Barrett–Joyner–Halenda analysis
Authors: McLaren Rachel L. , Laycock Christian J. , Brousseau Emmanuel , Owen Gareth R.
Published: June 2021

BJH analysis is shown to be a highly useful method to estimate the distance between stacks within plasma-exfoliated graphitic material, and is shown to coincide with data obtained from SEM, AFM and XRD analysis.
Palladium nanoparticles supported on exfoliated g-C3N4 as efficient catalysts for selective oxidation of benzyl alcohol by molecular oxygen
Authors: Yi Xin-Tong , Zhao Tong , Wang Fei , Xu Jie , Xue Bing
Published: June 2021

Palladium catalysts supported on exfoliated g-C3N4 materials demonstrate high catalytic activity in selective oxidation of benzyl alcohol using ambient oxygen as an oxidant.
1,3-Dipolar cycloaddition of nitrones: synthesis of multisubstituted, diverse range of heterocyclic compounds
Authors: Thakur Seema , Das Arunima , Das Tapas
Published: June 2021

The 1,3-dipolar cycloaddition reaction of nitrone is one of the most important methods for the synthesis of different sizes of heterocycles which have enormous applications in natural products, biologically active molecules and pharmaceuticals.
Antimicrobial and biological effects of polyaniline/polyvinylpyrrolidone nanocomposites loaded with silver nanospheres/triangles
Authors: Stamenović Una , Davidović Slađana , Petrović Sandra , Leskovac Andreja , Stoiljković Milovan , Vodnik Vesna
Published: June 2021

Two Ag–PANI/PVP nanocomposites were prepared using in situ integration of AgNPs during oxidative aniline polymerization, accelerated by the presence of PVP, which as well minimized the risk of particle agglomeration and macroscopic precipitation.
A multiplexed phospholipid membrane platform for curvature sensitive protein screening
Authors: Berganza Eider , Ebrahimkutty Mirsana P. , Vasantham Srivatsan K. , Zhong Chunting , Wunsch Alexander , Navarrete Alexander , Galic Milos , Hirtz Michael
Published: June 2021

Nanoscale membrane deformations are believed to act as signaling hubs that combine geometry and lipid composition. We propose an in vitro platform for curvature sensitive protein screening using nanoparticles with phospholipid patterned on top.
Recent progress in water-splitting electrocatalysis mediated by 2D noble metal materials
Authors: Tian Lin , Li Zhao , Song Ming , Li Jing
Published: June 2021

An overview and discussion of the advantages of 2D noble-metal-based nanocatalysts, along with their application in water splitting, are provided.
Predicting plasma conditions necessary for synthesis of γ-Al2O3 nanocrystals
Authors: Cendejas Austin J. , Sun He , Hayes Sophia E. , Kortshagen Uwe , Thimsen Elijah
Published: June 2021

A plasma-particle heating model accurately predicts transition from amorphous to crystalline Al2O3 nanoparticles, giving insight into reactor and process design.
Homoleptic titanium and zirconium complexes exhibiting unusual Oiminol–metal coordination: application in stereoselective ring-opening polymerization of lactide
Authors: Roymuhury Sagnik K. , Mandal Mrinmay , Chakraborty Debashis , Ramkumar Venkatachalam
Published: June 2021

The synthesis and characterization of novel homoleptic Ti and Zr complexes with tridentate ONO-type Schiff base ligands and their catalytic activities towards the ring-opening polymerization (ROP) of lactide are reported.
Dynamic behaviour of water molecules in heterogeneous free space formed in an epoxy resin
Authors: Yamamoto Satoru , Kuwahara Riichi , Tanaka Keiji
Published: June 2021

Schematic diagram of diffusion of water molecules. They are clustered at a preferred site where hydrogen bonds can be formed with hydroxyl, ether and amino groups of the network in the free space, and heterogeneously moved from there to other sites.
Deformation and orientational order of chiral membranes with free edges
Authors: Ding Lijie , Pelcovits Robert A. , Powers Thomas R.
Published: June 2021

Motivated by experiments on colloidal membranes composed of chiral rod-like viruses, we use Monte Carlo methods to simulate these systems and determine the phase diagram for the liquid crystalline order of the rods and the membrane shape.
Self-assembly of propeller-shaped amphiphilic molecules: control over the supramolecular morphology and photoproperties of their aggregates
Authors: Ye Nan , Pei Yi-rong , Han Qingqing , Lee Myongsoo , Jin Long Yi
Published: June 2021

Amphiphilic propeller-shaped molecules self-assemble into diverse supramolecular nanoassemblies, and exhibit a strong AIE phenomenon that can be used for soft materials.
GlmS mediated knock-down of a phospholipase expedite alternate pathway to generate phosphocholine required for phosphatidylcholine synthesis in Plasmodium falciparum
Authors: Sheokand Pradeep Kumar , Narwal Monika , Thakur Vandana , Mohmmed Asif
Published: June 2021

Phospholipid synthesis is crucial for membrane proliferation in malaria parasites during the entire cycle in the host cell. The major phospholipid of parasite membranes, phosphatidylcholine (PC), is mainly synthesized through the Kennedy pathway. The phosphocholine required for this synthetic pathway is generated by phosphorylation of choline derived from the catabolism of the lyso-phosphatidylcholine (LPC) scavenged from the host milieu. Here we have characterized a Plasmodium falciparum lysophospholipase (PfLPL20) which showed enzymatic activity on LPC substrate to generate choline. Using GFP- targeting approach, PfLPL20 was localized in vesicular structures associated with the neutral lipid storage bodies present juxtaposed to the food-vacuole. The C-terminal tagged glmS mediated inducible knock-down of PfLPL20 caused transient hindrance in the parasite development, however, the parasites were able to multiply efficiently, suggesting that PfLPL20 is not essential for the parasite. However, in PfLPL20 depleted parasites, transcript levels of enzyme of SDPM pathway (Serine Decarboxylase-Phosphoethanolamine Methyltransferase) were altered along with up-regulation of phosphocholine and SAM levels; these results show up-regulation of alternate pathway to generate the phosphocholine required for PC synthesis through the Kennedy pathway. Our study highlights the presence of alternate pathways for lipid homeostasis/membrane-biogenesis in the parasite; these data could be useful to design future therapeutic approaches targeting phospholipid metabolism in the parasite.
Hypoxia-induced PTTG3P contributes to colorectal cancer glycolysis and M2 phenotype of macrophage
Authors: Wang Yue , Yu Guilin , Liu Yiyang , Xie Longfei , Ge Jinnian , Zhao Guohua , Lin Jie
Published: June 2021

Long noncoding RNAs (lncRNAs) play critical factors in tumor progression and are ectopically expressed in malignant tumors. Until now, lncRNA pituitary tumor-transforming 3, pseudogene (PTTG3P) biological function in colorectal cancer (CRC) further needs to be clarified. qRT-PCR was used to measure the PTTG3P level and CCK-8, glucose uptake, lactate assay, adenosine triphosphate (ATP) assay, extracellular acidification rate (ECAR) assay, and xenograft mice model were adopted to evaluate the glycolysis and proliferation, and macrophage polarization were determined in CRC cells. Xenograft experiments were utilized to analyze tumor growth. Ectopic expression of PTTG3P was involved in CRC and related to dismal prognosis. Through gain- and loss-of-function approaches, PTTG3P enhanced cell proliferation and glycolysis through YAP1. Further, LDHA knockdown or glycolysis inhibitor (2-deoxyglucose (2-DG), 3-BG) recovered from PTTG3P-induced proliferation. And PTTG3P overexpression could facilitate M2 polarization of macrophages. Silenced PTTG3P decreased the level of inflammatory cytokines TNF-α, IL-1β and IL-6, and low PTTG3P expression related with CD8+ T, NK, and TFH cell infiltration. Besides, hypoxia-inducible factor-1α (HIF1A) could increase PTTG3P expression by binding to the PTTG3P promoter region. Hypoxia-induced PTTG3P contributes to glycolysis and M2 phenotype of macrophage, which proposes a novel approach for clinical treatment.
Microbial cell factories for the production of polyhydroxyalkanoates
Authors: Nagarajan Dillirani , Aristya Ganies Riza , Lin Yu-Ju , Chang Jui-Jen , Yen Hong-Wei , Chang Jo-Shu
Published: June 2021

Pollution caused by persistent petro-plastics is the most pressing problem currently, with 8 million tons of plastic waste dumped annually in the oceans. Plastic waste management is not systematized in many countries, because it is laborious and expensive with secondary pollution hazards. Bioplastics, synthesized by microorganisms, are viable alternatives to petrochemical-based thermoplastics due to their biodegradable nature. Polyhydroxyalkanoates (PHAs) are a structurally and functionally diverse group of storage polymers synthesized by many microorganisms, including bacteria and Archaea. Some of the most important PHA accumulating bacteria include Cupriavidus necator, Burkholderia sacchari, Pseudomonas sp., Bacillus sp., recombinant Escherichia coli, and certain halophilic extremophiles. PHAs are synthesized by specialized PHA polymerases with assorted monomers derived from the cellular metabolite pool. In the natural cycle of cellular growth, PHAs are depolymerized by the native host for carbon and energy. The presence of these microbial PHA depolymerases in natural niches is responsible for the degradation of bioplastics. Polyhydroxybutyrate (PHB) is the most common PHA with desirable thermoplastic-like properties. PHAs have widespread applications in various industries including biomedicine, fine chemicals production, drug delivery, packaging, and agriculture. This review provides the updated knowledge on the metabolic pathways for PHAs synthesis in bacteria, and the major microbial hosts for PHAs production. Yeasts are presented as a potential candidate for industrial PHAs production, with their high amenability to genetic engineering and the availability of industrial-scale technology. The major bottlenecks in the commercialization of PHAs as an alternative for plastics and future perspectives are also critically discussed.
Stress sensing within the breast tumor microenvironment: how glucocorticoid receptors live in the moment
Authors: Kerkvliet Carlos Perez , Truong Thu H. , Ostrander Julie Hanson , Lange Carol A.
Published: June 2021

The classification and treatment of breast cancer is largely defined by the expression of steroid hormone receptors (HRs), namely estrogen receptor (ER) and progesterone receptor (PR), and gene amplification/overexpression of human epidermal growth factor receptor 2 (HER2). More recently, studies of androgen receptor (AR), glucocorticoid receptor (GR), and mineralocorticoid receptor (MR) have revealed that targeting these related HRs may be a promising strategy for a more personalized approach to the treatment of specific subtypes of HR+ breast cancer. For example, GR expression is associated with a good prognosis in ER+ breast cancer, but predicts poor prognosis in triple-negative breast cancer (TNBC). GR, like ER, PRs, and AR, is a ligand-activated transcription factor, but also has significant ligand-independent signaling activities. GR transcriptional activity is classically regulated by circulating glucocorticoids (GCs; ligand-dependent). Recent studies demonstrate that GR transcriptional activity is also regulated by a variety of cellular stress stimuli that input to GR Ser134 phosphorylation via rapid activation of the p38 mitogen activated protein kinase (MAPK) signaling pathway (ligand-independent). Furthermore, ligand-independent GR activation promotes feedforward signaling loops that mediate sustained activation of stress signaling pathways to drive advanced cancer biology (i.e. migration, invasion, chemoresistance, survival, and cellular growth). In this review, we will focus on the role of GR as a key sensor and mediator of physiologic and tumor microenvironment (TME)-derived cellular stress signaling in TNBC and discuss how targeting GR and/or associated signaling pathways may provide a strategy to inhibit deadly TNBC progression.
HST grism spectroscopy of z ∼ 3 massive quiescent galaxies
Authors: D’Eugenio C. , Daddi E. , Gobat R. , Strazzullo V. , Lustig P. , Delvecchio I. , Jin S. , Cimatti A. , Onodera M.
Published: June 2021

Tracing the emergence of the massive quiescent galaxy (QG) population requires the build-up of reliable quenched samples by distinguishing these systems from red, dusty star-forming sources. We present Hubble Space Telescope WFC3/G141 grism spectra of ten quiescent galaxy candidates selected at 2.5 < z < 3.5 in the COSMOS field. Spectroscopic confirmation for the whole sample is obtained within one to three orbits through the detection of strong spectral breaks and Balmer absorption lines. When their spectra are combined with optical to near-infrared photometry, star-forming solutions are formally rejected for the entire sample. Broad spectral indices are consistent with the presence of young A-type stars, which indicates that the last major episode of star formation has taken place no earlier than ∼300–800 Myr prior to observation. This confirms clues from their post-starburst UVJ colors. Marginalising over three different slopes of the dust attenuation curve, we obtain young mass-weighted ages and an average peak star formation rate (SFR) of ∼103 M⊙ yr−1 at zformation ∼ 3.5. Although mid- and far-IR data are too shallow to determine the obscured SFR on a galaxy-by-galaxy basis, the mean stacked emission from 3 GHz data constrains the level of residual-obscured SFR to be globally below 50 M⊙ yr−1, three times below the scatter of the coeval main sequence. Alternatively, the very same radio detection suggests a widespread radio-mode feedback by active galactic nuclei (AGN) four times stronger than in z ∼ 1.8 massive QGs. This is accompanied by a 30% fraction of X-ray luminous AGN with a black hole accretion rate per unit SFR enhanced by a factor of ∼30 with respect to similarly massive QGs at lower redshift. The average compact, high Sérsic index morphologies of the galaxies in this sample, coupled with their young mass-weighted ages, suggest that the mechanisms responsible for the development of a spheroidal component might be concomitant with (or preceding) those causing their quenching.
Solar wind rotation rate and shear at coronal hole boundaries
Authors: Pinto R. F. , Poirier N. , Rouillard A. P. , Kouloumvakos A. , Griton L. , Fargette N. , Kieokaew R. , Lavraud B. , Brun A. S.
Published: June 2021

Context.In situ measurements by several spacecraft have revealed that the solar wind is frequently perturbed by transient structures that have been interpreted as magnetic folds, jets, waves, and flux ropes that propagate rapidly away from the Sun over a large range of heliocentric distances. Parker Solar Probe (PSP), in particular, has detected very frequent rotations of the magnetic field vector at small heliocentric radial distances, accompanied by surprisingly large solar wind rotation rates. The physical origin of such magnetic field bends and switchbacks, the conditions for their survival across the interplanetary space, and their relation to solar wind rotation are yet to be clearly understood.

Aims.We aim to characterise the global properties of the solar wind flows crossed by PSP, to relate those flows to the rotational state of the low solar corona, and to identify regions of the solar surface and corona that are likely to be sources of switchbacks and bends.

Methods.We traced measured solar wind flows from the spacecraft position down to the surface of the Sun to identify their potential source regions, and used a global magneto-hydrodynamic model of the corona and solar wind to analyse the dynamical properties of those regions. We identify regions of the solar corona for which solar wind speed and rotational shear are important and long-lived that can be favourable to the development of magnetic deflections and to their propagation across extended heights in the solar wind.

Results.We show that coronal rotation is highly structured, and that enhanced flow shear and magnetic field gradients develop near the boundaries between coronal holes and streamers, and around and above pseudo-streamers, even when such boundaries are aligned with the direction of solar rotation. The exact properties and amplitudes of the shears are a combined effect of the forces exerted by the rotation of the corona and of its magnetic topology. A large fraction of the switchbacks identified by PSP map back to these regions, both in terms of instantaneous magnetic field connectivity and of the trajectories of wind streams that reach the spacecraft.

Conclusions.We conclude that these regions of strong shears are likely to leave an imprint on the solar wind over large distances and to increase the transverse speed variability in the slow solar wind. The simulations and connectivity analysis suggest they could be a source of the switchbacks and spikes observed by PSP.
Environmental amelioration in biofloc based rearing system of white leg shrimp (Litopenaeus vannamei) in West Bengal, India
Authors: Das Shib Kinkar , Mandal Amit
Published: June 2021

The potential of biofloc media in in-situ environmental amelioration mediated through the removal of nitrogenous metabolites, reduce the dominance of disease-causing Vibrio to beneficial Bacillus community and reduction of costly commercial feed was investigated in white leg shellfish (Litopenaeus vannamei) farming. Three treatments viz. biofloc without neem + commercial feed (B), biofloc with neem +commercial feed (NB), only commercial feed without biofloc (F)and, one control (C) withno biofloc and no feed in triplicate was applied with a stocking density of 60 PL-20 m−3 in outdoor earthen ponds (1000 m3). Two biofloc media (C:N = 15–10:1) with and without neem leave extract were applied with reduction of feed supplement from 50% to 100%. The significant difference was observed in final body weight (33.82 ± 0.18 g) in neem based biofloc media than the other tested shrimp with the survival percentage above 87%. Superiority of biofloc based rearing system over the traditional feed based one was established as live weight gain was 28.48–137% more with a reduction of feed conversion ratio by 7.60% to 8.18% in the former. Moreover, feed cost was reduced both in B (8.1%) and NB (8.77%) compared to conventional feed −based culture system (F). The nutrient profile of floc and shrimp also improved as higher protein content was recorded in floc (18.65–19.63%) and shrimp (24.58–26.29%). The development of biofloc within the culture system resulted in cumulative increase of Bacillus population with concomitant decrease of luminous Vibrio population. The findings of the study strongly indicated that biofloc technology could be a potential tool of ecosystem approach towards in-situ environmental amelioration in shrimp farming ponds with substantial reduction of cost towards feed, aqua chemicals used for disease and environmental health management and other operational cost like water exchange.
Online-Befragung von Ernährungsfachkräften mit klinischem Arbeitsfeld in Deutschland zum Thema Variablen des Ernährungsassessments
Authors: Girsemihl Caroline , Blumenschein Birgit , Rubin Diana
Published: June 2021

Hintergrund Für die Behandlung von Patienten mit ernährungsbedingten Erkrankungen wird in Deutschland die Ernährungstherapie als Teil der klinischen Ernährung empfohlen. Grundvoraussetzung für optimales ernährungstherapeutisches Handeln ist dabei ein von qualifizierten Ernährungsfachkräften erhobenes systematisches Ernährungsassessment.

Methoden In einem standardisierten, halboffenen Fragebogen gaben Ernährungsfachkräfte eine Selbstauskunft zur regelhaften Nutzung verschiedener Variablen im Ernährungsassessment (Erhebungszeitraum Mai 2019). Die Daten wurden mittels einer 3-stufigen Likert-Skala („ja“, „nein“, „nur wenn nötig“) erfasst und über die relative Häufigkeit, die in „häufig“, „weniger häufig“ und „selten“ prozentual eingeteilt wurde, ausgewertet.

Ergebnisse Ernährungsfachkräfte gaben mit einer relativen Häufigkeit von mindestens 70 % an, folgende Variablen regelhaft bei Patienten zu erheben: Name, Vorname, Geburtsdatum, Alter, Geschlecht, Gewicht, Größe, BMI, NRS, aktuelle Medikation, Diagnosen, gastrointestinale Symptome, Schluckstörungen, 24-h-Recall, Abneigungen gegenüber Lebensmitteln, Art der Sonde (PEG, PEJ, FKJ, nasogastral usw.), Gewichtsverlust, Nahrungsmittelallergien, Unverträglichkeiten/Intoleranzen, Berechnung enteraler Ernährung, Energiebedarf, Eiweißbedarf, Zielkalorien.

Schlussfolgerung Die wesentlichen Variablen für die Ernährungstherapie im Assessment werden regelhaft erhoben. Aufgrund fehlender einheitlicher Richtlinien und ernährungsmedizinischer Strukturen in deutschen Krankenhäusern, zur Erhebung eines Ernährungsassessments, erfolgt das Assessment deutschlandweit heterogen. Um eine qualitativ hochwertige konsekutive Ernährungstherapie flächendeckend zu garantieren, wird die strukturelle Schaffung von Ernährungsexpertise in Krankenhäusern deutschlandweit empfohlen, um standardisierte Prozesse auch bezüglich des Ernährungsassessments zu implementieren.
MedTech: Wie Innovationen durch die Kosten des Scheiterns asymmetrisch aus Europa abgedrängt werden
Authors: Leonhard Martin , Djamshidi Karim
Published: June 2021

Scheitern kostet Geld, das ist normal. Das Risiko des Scheiterns einzugehen ist Grundlage jeder Innovation. Wir diskutieren hier die Frage, ob Europa am Beispiel der Medizintechnik das globale Gefüge zu seinen Ungunsten verändert. Mit vereinfachten Modellannahmen arbeiten wir heraus, dass bei sonst vergleichbaren Rahmenbedingungen die globalen Märkte profitieren, die die geringsten Kosten für die Phase des Scheiterns haben. Ziel sollte es sein, das Scheitern nicht durch weiter steigende Kosten zu verteuern, sonst werden Innovatoren bestraft.
Model predicts bending, curling and rolling of liquid crystal elastomer beams
Authors: McConnon Aili
Published: June 2021

Method for numerical simulation can simulate the behavior of liquid crystal elastomer beams in a large range of thicknesses as well as different material compositions.
A method for the calibration of wideband ultrasonic sensors for optoacoustics
Authors: Hass K. , Insabella R. M. , González M. G. , Riobó L. , Veiras F. E.
Published: June 2021

A method for calibration of ultrasonic sensors for optoacoustics that provides both frequency response and sensitivity is presented. In order to obtain the bandwidth and the frequency response of an uncalibrated sensor, a point source with broadband spectra generated by a laser-induced bubble on a copper wire submerged in water is employed. On the other hand, the sensitivity measurement relies on the spatial symmetry of the pressure pulse and on a calibrated transducer. Therefore, two sensors are employed to detect the pressure pulse at the same distance from the source. The symmetry of the acoustic field that arrives at both transducers is adjusted and verified by means of an optical interferometer that provides a null signal when the copper wire is placed at the right position. The method is tested on the characterization of a thin-film polymeric piezoelectric transducer with a cylindrical focused shape.
A new multi-tracer pellet injection for a simultaneous study of low- and mid/high-Z impurities in high-temperature plasmas
Authors: Tamura N. , Yoshinuma M. , Yin X. , Ida K. , Suzuki C. , Shoji M. , Mukai K. , Funaba H.
Published: June 2021

A new multi-tracer technique in the Tracer-Encapsulated Solid Pellet (TESPEL) method has been developed in order to acquire simultaneously the information about the behaviors of various impurities, i.e., to study concurrently the behaviors of low- and mid/high-Z impurities in magnetically confined high-temperature plasmas. In this new technique, an inorganic compound (for example, lithium titanate, Li2TiO3) is proposed to be used as a tracer embedded in the core of the TESPEL, instead of pure elements. The results of the proof-of-principle experiment clearly demonstrate the applicability of the new multi-tracer technique in the TESPEL method for the simultaneous study of behaviors of low- and mid/high-Z impurities in high-temperature plasmas.
Equations and improved coefficients for parallel transport in multicomponent collisional plasmas: Method and application for tokamak modeling
Authors: Makarov S. O. , Coster D. P. , Rozhansky V. A. , Stepanenko A. A. , Zhdanov V. M. , Kaveeva E. G. , Senichenkov I. Y. , Bonnin X.
Published: June 2021

New analytical expressions for parallel transport coefficients in multicomponent collisional plasmas are presented in this paper. They are improved versions of the expressions written in Zhdanov [Transport Processes in Multicomponent Plasma, English ed. (Taylor and Francis, London, New York, 2002)], based on Grad's 21N-moment method. Both explicit and approximate approaches for the calculation of transport coefficients are considered. Accurate application of this closure for the Braginskii transport equations is discussed. Viscosity dependence on the heat flux is taken into account. Improved expressions are implemented into the SOLPS-ITER code and tested for deuterium and neon ITER cases. Some typos found in Zhdanov [Transport Processes in Multicomponent Plasma, English ed. (Taylor and Francis, London, New York, 2002)] are corrected.
Experimental study on frequency characteristics of the actuations produced by plasma synthetic jet actuator and its geometric effects
Authors: Geng Xi , Zhang Weilin , Shi Zhiwei , Li Zheng , Sun Qijie , Sun Zhikun
Published: June 2021

The actuations generated by the plasma synthetic jet actuator (PSJA) may become weak under multiple pulses when the discharge frequency increases. In order to further study the frequency characteristics of the actuations, the high-speed Schlieren method is adopted for the experimental study on a nanosecond plasma synthetic jet actuator (NS-PSJA) made of the machinable ceramic. Three typical working states are captured by the numbers of Schlieren measurements, which are continuous, critical, and discontinuous states. For a deep understanding, the relationship between the discharge frequency and the working states of the NS-PSJA is discussed in two aspects: heat and electric charge. The critical and the saturated discharge frequencies are defined, respectively. In addition, the effects of the geometry on the frequency characteristics of the NS-PSJA are also studied such as the shape of the orifice, the electrode spacing, the depth of the cavity, and the height of the electrode. The results suggest that those geometric parameters affect the accumulation of the heat and electric charge, causing the changes of both the critical and the saturated discharge frequencies.
Selective hydrogenation of WO3 for erasable conducting circuit
Authors: Hu Changlong , Zhou Xiaoyu , Chen Yuliang , Li Liang , Li Bowen , Ren Hui , Zhao Shanguang , Zou Chongwen
Published: June 2021

Hydrogenation of tungsten trioxide (WO3) can effectively modulate its material property and induce the insulator–metal transition. Due to the insertion of H atoms, a transparent WO3 film will normally change to deep-blue color because of its pronounced electrochromism. More importantly, the electronic structure will also convert from an insulator to a metallic state, showing greatly improved conductivity with an enhancement of up to six orders of magnitude. Combined with the traditional lithography route, selective hydrogenation of WO3 in microscale size is achieved based on the electron–proton synergistic effect in an acid solution. This metal-like conductive H-doped WO3 can be used as an erasable microcircuit since it will be recovered to a WO3 insulator by annealing in air at an appropriate temperature. The current study demonstrates a facile way to fabricate erasable WO3 conducting micro/nanowires, or even microcircuits, by selective hydrogenation under ambient conditions, which should be extended to other oxide materials for functional applications.
Formation of a Ti–Cu(111) single atom alloy: Structure and CO binding
Authors: Shi Junjie , Owen Cameron J. , Ngan Hio Tong , Qin Siyu , Mehar Vikram , Sautet Philippe , Weaver Jason F.
Published: June 2021

A single atom Ti–Cu(111) surface alloy can be generated by depositing small amounts of Ti onto Cu(111) at slightly elevated surface temperatures (∼500 to 600 K). Scanning tunneling microscopy shows that small Ti-rich islands covered by a Cu single layer form preferentially on ascending step edges of Cu(111) during Ti deposition below about 400 K but that a Ti–Cu(111) alloy replaces these small islands during deposition between 500 and 600 K, producing an alloy in the brims of the steps. Larger partially Cu-covered Ti-containing islands also form on the Cu(111) terraces at temperatures between 300 and 700 K. After surface exposure to CO at low temperatures, reflection absorption infrared spectroscopy (RAIRS) reveals distinct C–O stretch bands at 2102 and 2050 cm−1 attributed to CO adsorbed on Cu-covered Ti-containing domains vs sites in the Ti–Cu(111) surface alloy. Calculations using density functional theory (DFT) suggest that the lower frequency C–O stretch band originates specifically from CO adsorbed on isolated Ti atoms in the Ti–Cu(111) surface alloy and predicts a higher C–O stretch frequency for CO adsorbed on Cu above subsurface Ti ensembles. DFT further predicts that CO preferentially adsorbs in flat-lying configurations on contiguous Ti surface structures with more than one Ti atom and thus that CO adsorbed on such structures should not be observed with RAIRS. The ability to generate a single atom Ti–Cu(111) alloy will provide future opportunities to investigate the surface chemistry promoted by a representative early transition metal dopant on a Cu(111) host surface.
Enhancement of p-type thermoelectric power factor by low-temperature calcination in carbon nanotube thermoelectric films containing cyclodextrin polymer and Pd
Authors: Hata Shinichi , Kusada Mokichi , Yasuda Soichiro , Du Yukou , Shiraishi Yukihide , Toshima Naoki
Published: June 2021

The p-type properties of carbon nanotubes (CNTs) in organic thermoelectric devices need urgent improvement for large-scale, low-grade thermal energy applications. Here, we present a suitable approach to significantly enhance the power factor (PF) by increasing the electrical conductivity through the low-temperature calcination-induced pyrolysis of the insulating γ-cyclodextrin polymer (PγCyD), which is used as a solubilizer of film-like CNTs. The low-temperature calcination method, which can be used to realize good electrical contact between CNT bundles, shows enhancement behavior as a universal phenomenon for not only PγCyD but also other commonly used polymers for CNT films. To moderate the calcination temperature, the Pd catalyst was added, and the optimal temperature was reduced from 340 °C to 250 °C. Consequently, the PF value of the CNT film was 570 μW m−1 K−2, which was found to be more than twice that of the original CNT film. In addition, we demonstrated the energy harvesting capability of a thermoelectric generator based on this p-type CNT film; a thermoelectric generator with 10 p-type thermoelectric elements showed a maximum power output of 10.3 μW with a temperature difference of 75 °C, which is comparable to the maximum power output of some of the best single-component organic thermoelectric devices demonstrated to date. This outstanding output power shows that easy-to-handle CNT films with low-temperature heat treatment can open new avenues for the development of thermoelectric generators.
Flow-induced vibration of filaments attached to two side-by-side cylinders
Authors: Furquan Mohd , Mittal Sanjay
Published: June 2021

Flow-induced vibration of flexible filaments attached to two side-by-side circular cylinders in the laminar regime is studied for a range of reduced speed (U*). U* is defined as the freestream speed of the flow nondimensionalized by the fundamental natural frequency of the filaments and cylinder diameter. Dominant modes in the response are identified using proper orthogonal decomposition. The flow and response of the filaments are compared to that of a single cylinder with a flexible filament, from an earlier study. [M. Furquan and S. Mittal, “Multiple lock-ins in vortex-induced vibration of a filament,” J. Fluid Mech. 916, R1 (2021).] The filaments vibrate with small amplitude close to the frequency of vortex shedding from the stationary structure, at low U*. This desynchronization regime is followed by a lock-in with the first Euler–Bernoulli mode beyond a certain U*. Further increase in reduced speed results into a region of aperiodic oscillations followed by a lock-in with the second Euler–Bernoulli mode. The aperiodic region is in lieu of the second desynchronization range observed for a single cylinder with filament. Frequency spectra of the former contain significant contributions from both vortex shedding from the stationary structure, as well as the first structural mode. The two filaments oscillate largely in-phase and with equal amplitudes up to the onset of second lock-in. Vortex shedding from the two cylinders is synchronized and in-phase. The onset of lock-in with the second structural mode marks the advent of a symmetry-breaking bifurcation that leads to a bias in the mean configuration of the filaments as well as the difference in their amplitude of vibration and a disorganized wake.
Double longitudinal-optical phonon intrawell depopulated terahertz quantum cascade structures: Electron transport modeling using a density matrix method
Authors: Freeman Will
Published: June 2021

Terahertz quantum cascade structures using double longitudinal-optical phonon intrawell scattering for depopulation are theoretically studied. A density matrix Monte Carlo method is used to calculate the temperature dependent optical power, in double phonon structures with diagonal optical transitions. It is shown that using depopulation transitions greater than the resonant longitudinal-optical phonon energy ΔE > ℏωLO reduces the phonon absorption thermal backscatter, allowing for higher operating temperatures, with prospects for 300 K room temperature and beyond. Furthermore, results indicate that the temperature limit may also be improved in single phonon structures, by similarly increasing the depopulation transition.
Observation of planar Hall effect in topological insulator—Bi2Te3
Authors: Bhardwaj Archit , Prasad P. Syam , Raman Karthik V. , Suri Dhavala
Published: June 2021

Planar Hall effect (PHE) in topological insulators (TIs) is discussed as an effect that stems mostly from conduction due to topologically protected surface states. Although surface states play a critical role and are of utmost importance in TIs, our present study in Bi2Te3 thin films reflects the need for considering the bulk conduction in understanding the origin of PHE in TIs. This necessity emerges from our observation of an unconventional increase in the PHE signal with TI thickness and temperature where the bulk effect takes over. Here, we find an enhancement in the PHE amplitude by doubling the Bi2Te3 film-thickness on the Si (111) substrate—from ≈ 1.9 nΩ m in 14 quintuple layer (QL) to ≈ 3.1 nΩ m in 30 QL devices at B = 5 T. Also, the PHE amplitude in the 30 QL Bi2Te3 films grown on two different substrates, viz., Si (111) and Al2O3 (0001), shows an increase with temperature. Our experiments indicate that the contribution of bulk states to PHE in TIs could be significant.
Semiclassical description of nuclear dynamics moving through complex-valued single avoided crossings of two electronic states
Authors: Wu Yanze , Subotnik Joseph E.
Published: June 2021

The standard fewest-switches surface hopping (FSSH) approach fails to model nonadiabatic dynamics when the electronic Hamiltonian is complex-valued and there are multiple nuclear dimensions; FSSH does not include geometric magnetic effects and does not have access to a gauge independent direction for momentum rescaling. In this paper, for the case of a Hamiltonian with two electronic states, we propose an extension of Tully’s FSSH algorithm, which includes geometric magnetic forces and, through diabatization, establishes a well-defined rescaling direction. When combined with a decoherence correction, our new algorithm shows satisfying results for a model set of two-dimensional single avoided crossings.
Assessing the quantum effect in classical thermal conductivity of amorphous silicon
Authors: Zhou Yanguang
Published: June 2021

While it is well known that the vibrational modes are fully occupied and the quantum effect can be ignored only if the temperature is high enough, e.g., well above the Debye temperature of the systems, all vibrational modes are assumed to be fully occupied at any temperatures in classical molecular dynamics. Therefore, the thermal conductivity of crystals predicted by classical molecular dynamics at low temperatures, e.g., much lower than the corresponding Debye temperature, is unphysical. Even by applying the quantum corrections on the classical thermal conductivity of crystals, the results are still unreasonable since both the occupation and intrinsic scattering process of the vibrations are determined by the temperatures. However, the scattering picture in amorphous silicon is quite different from that in its corresponding crystal counterpart. How the quantum effect will affect the thermal transport in amorphous silicon is still unclear. Here, by systematically investigating thermal transport of amorphous silicon using equilibrium molecular dynamics, the structure factor method and the Allen–Feldman theory, we directly observe that all the vibrational modes are fully occupied at any temperatures and the quantum effect on the scattering process can be ignored. By assuming all the vibrational modes are fully occupied, the thermal conductivity calculated using the structure factor method and the Allen–Feldman theory agrees quite well with the results computed using Green–Kubo equilibrium molecular dynamics. By correcting the excitation state of the vibrations in amorphous silicon, the thermal conductivity calculated by the structure factor method and the Allen–Feldman theory can fully capture the experimentally measured temperature dependence. Our study proves that the quantum effect on the scattering process caused by the distribution functions for the amorphous materials in molecular dynamics simulations, i.e., Boltzmann distributions in molecular dynamics simulations vs Bose–Einstein distributions for the bosons, can be ignored, while the quantum effect on the excitation states of the vibrations are important and must be considered.
Prospects and challenges of quantum emitters in 2D materials
Authors: Azzam Shaimaa I. , Parto Kamyar , Moody Galan
Published: June 2021

The search for an ideal single-photon source has generated significant interest in discovering emitters in materials as well as developing new manipulation techniques to gain better control over the emitters' properties. Quantum emitters in atomically thin two-dimensional (2D) materials have proven to be very attractive with high brightness, operation under ambient conditions, and the ability to be integrated with a wide range of electronic and photonic platforms. This Perspective highlights some of the recent advances in quantum light generation from 2D materials, focusing on hexagonal boron nitride and transition metal dichalcogenides. Efforts in engineering and deterministically creating arrays of quantum emitters in 2D materials, their electrical excitation, and their integration with photonic devices are discussed. Finally, we address some of the challenges the field is facing and the near-term efforts to tackle them. We provide an outlook toward efficient and scalable quantum light generation from 2D materials to controllable and addressable on-chip quantum sources.
First-principles study of solid-state properties of adrenergic neurotransmitters, orthorhombic noradrenaline, and monoclinic adrenaline
Authors: Araújo R. L. , Lima Neto J. X. , Barboza C. A. , Oliveira J. I. N. , Tromer R. M. , Henriques J. M. , Fulco U. L.
Published: June 2021

Using the density functional theory with the approximation of the generalized gradient approximation, we carried out a theoretical investigation of the structural, optoelectronic, vibrational (IR and Raman), and thermodynamic properties of the noradrenaline (NA) and adrenaline (AD) crystals. The lattice parameters showed good agreement with the experimental data, and an indirect bandgap was obtained for both structures. The calculated optical properties showed that the crystal of noradrenaline has a slightly higher sensitivity than adrenaline, and the absorption of both crystalline structures occurs in the UV region, showing greater sensitivity to electromagnetic radiation with an energy of approximately 5 eV and a dielectric constant of approximately 2.50 for NA and AD. Finally, IR and Raman spectra were presented, and a thermodynamic analysis showed that the adrenaline crystal is more stable than the noradrenaline crystal as the temperature increases.