bluuebunny/crossref_metadata_2025 huggingface dataset:
An Analysis of the Distribution of Glasgow Coma Scale Scores across Pan-Asian Trauma Outcomes Study (PATOS) Regions
Authors: Capuano Benjamin , Cone David C.
Published: February 2022

Background:

The Glasgow Coma Scale (GCS) was devised in 1974 as a way of tracking the progress of neurosurgical coma patients. It is comprised of three components: eye movement, response to verbal commands, and motor function. Since then, it has become the primary tool in Emergency Medical Services (EMS) and emergency departments for assessing cognitive function and triaging patients in the setting of acute trauma. However, the GCS was never intended to be used in such a way. It has been demonstrated that there is a high degree of inter-rater variability when assigning GCS scores for trauma patients. Potential differences in GCS score assignments between different countries were examined. It was hypothesized there would be differences in mean total and component scores.

Methods:

Using de-identified data from the Pan-Asian Trauma Outcomes Study (PATOS), the distributions of GCS scores from six countries were assessed: Japan, Korea, Malaysia, Taiwan, Thailand, and Vietnam. Using SPSS data analysis, a one-way ANOVA and Bonferroni post-hoc tests were performed to compare the means of the three GCS components and the total GCS scores reported by EMS personnel caring for trauma patients.

Results:

Data from 15,173 cases showed significant differences in mean total GCS score between countries (P <.001) as well as in mean component GCS scores (P <.001 for each of eye, verbal, and motor). Post-hoc tests showed that EMS personnel in Korea assigned significantly lower scores compared to all other countries in both component and total GCS scores. Field personnel in Japan, Malaysia, and Vietnam assigned the highest scores and significantly differed from the other three countries on component and total scores; Thailand and Taiwan had similar scores but significantly differed from the other four countries on component and total scores. Visual inspection of mean component and total GCS score histograms revealed differences in score assignment patterns among countries.

Conclusions:

There are a number of significant differences in the mean total and component GCS scores assigned by EMS personnel in the six Asian countries studied. More investigation is necessary to determine if there is clinical significance to these differences in GCS score assignments, as well as the reasons for the differences.
ADAM SMITH AND ECONOMIC DEVELOPMENT IN THEORY AND PRACTICE: A REJECTION OF THE STADIAL MODEL?
Authors: Paganelli Maria Pia
Published: February 2022

Adam Smith allegedly offers a model of economic development in both his Lectures on Jurisprudence and the Wealth of Nations—the so-called four stages of development model. The model presents a linear unfolding view of economic development from primitive to advanced stages. But Smith’s own historical examples systematically contradict this model. I thus question whether Adam Smith actually endorses and uses the four stages model of development to illustrate development and suggest that if he does, he does it to discredit it instead. For Smith, history teaches that development is more accidental than fitting deterministic models.
MARGINALISM AND SCOPE IN THE EARLY METHODENSTREIT
Authors: van ’t Klooster Jens
Published: February 2022

The early Methodenstreit (1871–1883) between Gustav Schmoller and Carl Menger is one of the defining moments in the development of today’s discipline of economics. However, recent interpretations of the debate no longer identify a substantial point of controversy. I reconstruct the debate to show that the pivotal topic was the scope of economics. Menger claims that his marginalist Principles of Economics more or less captures the entire subject matter of the discipline, which Schmoller denies. I also discuss recent scholarship, which follows Friedrich Hayek to situate Menger at the edges or even outside the marginalist mainstream. I show that support for this reading is weak and in parts based on a misrepresentation of the available sources, putting into question Menger’s status as a forbear of today’s Austrian school.
Characterization of Structural Changes of Casein Micelles at Different pH Using Microscopy and Spectroscopy Techniques
Authors: Rojas-Candelas Liliana Edith , Chanona-Pérez José Jorge , Méndez Juan Vicente Méndez , Morales-Hernández José Antonio , Benavides Héctor Alfredo Calderón
Published: February 2022

This study aimed to evaluate the influence of pH changes on morphometric parameters of casein micelles and a general overview of their conformational structure through microscopy techniques, Raman spectroscopy and multivariate analysis. It was found that casein micelles morphology and protein secondary structure depend strongly upon pH. The changes of arithmetic average roughness (Ra), size, and shape of casein micelles at different pH are properly characterized by atomic force and cryo-transmission electron microscopy. Morphometric changes of casein micelles were correlated correctly with folding and unfolding of casein molecules as evaluated by Raman spectroscopy when the pH was varied. The novelty of this contribution consists in demonstrating that there is a close structure-functionality relationship between the morphometric parameters of proteins and their secondary structure. Knowledge about casein micelles can help improve their use of its diverse applications.
Thema da capo: Another Look at Mozart's Embellishments
Authors: Bandy Dorian
Published: February 2022

This article provides a new analysis, appraisal and aesthetic examination of Mozart's notated melodic embellishments. Whereas previous studies of Mozartean embellishment (including those undertaken by Frederick Neumann in the 1980s and Robert Levin in the 1990s) tend to focus on the local, individual gestures that make up the composer's vocabulary, this study examines broader issues in Mozart's art of embellishment – in particular, the larger-scale characteristics of his written embellishment models, including the rate at which figuration accumulates and the structural layout of that figuration within and between individual phrases. I then explore the aesthetic resonances of melodic embellishment in Mozart's oeuvre, touching upon topics including the relationship of embellishment to a movement's affect, the relationship of embellishment to the compositional persona encoded in a work, the use of embellishment to depict improvisation in operas, and the aesthetic of digressiveness in the composer's melodies.
Alexander Wendt, Quantum mind and social science: unifying physical and social ontology
Authors: Erskine Toni , Guzzini Stefano , Welch David A.
Published: February 2022

Alexander Wendt's Quantum Mind and Social Science hypothesizes that all intentional phenomena, including both psychological and social facts, are macroscopic quantum mechanical processes. Whether right or wrong, the suggestion highlights the fact that the social sciences, including IR, have until very recently never systematically discussed the potential relevance to our work of the quantum revolution a century ago. According to Wendt, that has left social scientists today – positivists and interpretivists alike – operating from an implicit and impoverished 19th century worldview that cannot accommodate important facts about human subjectivity. This symposium features critiques of Wendt's vision from multiple perspectives and a response, for one of the first airings of the classical-quantum debate in an IR context.
Punishment and pardon: The use of international humanitarian law by the Special Jurisdiction for Peace in Colombia
Authors: Correa Flórez María Camila , Martín Parada Andrés Felipe , Soto Hoyos Juan Francisco
Published: February 2022

Transitional justice systems generally aim to achieve two goals. One is to bring the perpetrators of past atrocities to justice to ensure that they do not go unpunished, which involves the State fulfilling its duty to investigate, prosecute and punish serious human rights violations and breaches of international humanitarian law (IHL). The other is to bring about reconciliation to heal a divided society and achieve peace and stability. This normally requires the adoption of measures of clemency, such as granting amnesty, so that those who took part in the country's violent past can return to civilian life. The use of IHL is relevant in attaining both these goals because its complex nature means that it provides the legal basis for their implementation. However, this very complexity can mean that there are contradictions or complementarities between its characteristics. This article looks at the case of the Special Jurisdiction for Peace (JEP) in Colombia, showing how this transitional jurisdiction has used IHL as a legal basis both for investigating, prosecuting and punishing serious violations committed during the Colombian armed conflict and for granting amnesty to those who took part in the hostilities. These different uses by the JEP demonstrate that IHL is a flexible tool that can facilitate the process of delivering both justice and peace after a conflict has ended.
Implementation of ICT-Facilitated Parent- and Family-Focused Interventions in Culturally and Linguistically Diverse Contexts
Authors: Ereky-Stevens Katharina , Pastori Giulia , Sidiropulu-Janků Kateřina , Sarcinelli Alice Sophie , Schünke Juliane , Trauernicht Mareike , Pagani Valentina , Mangiatordi Andrea
Published: February 2022

Abstract. A linguistic and cultural discontinuity between home and school can create tensions, affect family engagement with schools and teachers, and interfere with children's learning. Parent- and family-focused interventions for families with young children can play an important role in positively addressing diversity. This study brings together the work done to develop and test ICT-facilitated interventions for parents and professionals working with families from culturally and linguistically diverse contexts in four European countries: the Czech Republic, UK, Germany, and Italy. Across all contexts, the focus of the interventions lay on families managing and making the best use of the cultural and language resources present in their lives in supporting child development, learning, and transition to school. This paper provides a narrative account of participants' engagement with resources and digital tools, and their reflections on their experiences during implementation and their learning.
Unterschiede in der Reflexion pädagogischer Praxis erklären Unterschiede in der Wirksamkeit von Fortbildungsmaßnahmen zur frühen naturwissenschaftlichen Bildung
Authors: Lohse-Bossenz Hendrik , Bahn Mareike , Busch Jennifer , Brandtner Miriam
Published: February 2022

Zusammenfassung. Der Professionalisierung frühpädagogischer Fachkräfte über Fortbildungen wird ein hohes Potential für Veränderungen in der pädagogischen Praxis beigemessen. Während Forschungsergebnisse die Wirksamkeit verschiedener Fortbildungskonzepte belegen, wurde bisher wenig thematisiert, dass Fachkräfte nicht in gleichem Maße von Fortbildungen profitieren. Der Beitrag präsentiert einen forschungsmethodischen Ansatz, individuelle Entwicklungen explizit zu modellieren (latente Veränderungswertmodelle). Die Daten von 279 Fachkräften (davon 128 im Grundschulbereich) aus unterschiedlichen Fortbildungen zeigten neben einem Interventionseffekt auf Gruppenebene, substantielle Unterschiede hinsichtlich der individuellen Entwicklung. Diese Unterschiede lassen sich anhand der reflexionsbezogenen Aktivitäten in der Praxis erklären, wonach Fachkräfte, die in der täglichen Praxis häufiger das eigene Handeln reflektieren, stärker von einer Fortbildung profitieren. Die Ergebnisse verdeutlichen die Notwendigkeit sowie das Potential, individuelle Entwicklungen stärker in den Fokus von Fortbildungsevaluationen zu rücken.
Systematischer Review zur Qualität der Kindertagespflege
Authors: Egert Franziska , Eckhardt Andrea G.
Published: February 2022

Zusammenfassung. Seit Inkrafttreten des Tagesbetreuungsausbaugesetzes (TAG) 2005 kommt der Kindertagespflege neben der Betreuung in Kindertageseinrichtungen eine gleichwertige Rolle mit eigenständigem Bildungs- und Erziehungsauftrag zu. Nationale und internationale Studien deuten an, dass die Prozessqualität, gemessen mit den Environmental Rating Scales, im mittleren Bereich liegt. Bislang ist nur wenig über Rahmenbedingungen bekannt, von denen die Prozessqualität abhängt. Der systematische Review analysiert deshalb den Zusammenhang von Qualität, Professionalisierung und Finanzierung. In der systematischen Literatursuche wurden 213 Quellen identifiziert. Davon berichten 16 Studien Zusammenhangsmaße zwischen der Prozessqualität in Kindertagespflege und Professionalisierungsaspekten. Daraus geht hervor, dass eine gute Prozessqualität in Kindertagespflege u.a. mit (1) verbesserten Finanzierungsstrukturen, (2) Möglichkeiten für Kooperation und Vernetzung, (3) einer professionellen Haltung und (4) Regulierungen und Lizenzierung einhergehen. Damit identifiziert der Review Ansatzpunkte für politisches Handeln zur Qualitätssteigerung der Kindertagespflege.
METTL3 overexpression aggravates LPS-induced cellular inflammation in mouse intestinal epithelial cells and DSS-induced IBD in mice
Authors: Yang Lichao , Wu Guotao , Wu Qiang , Peng Liangxin , Yuan Lianwen
Published: February 2022

The inflammatory bowel diseases (IBD), including Crohn’s disease (CD) and ulcerative colitis (UC), are chronic inflammatory disorders of the intestine. Dysregulated cytokine secretion and signal transduction mechanisms via intestinal epithelial cells are involved in IBD pathogenesis, in which the transcription factor NF-κB plays a critical role. In this study, METTL3, which plays a key role in inflammation regulation, has been recognized significantly up-regulated in IBD samples, DSS-induced IBD mice, and LPS-treated MODE-K cells. Within LPS-treated MODE-K cells, METTL3 knockdown promoted cell viability, inhibited cell apoptosis, decreased apoptotic caspase3/9 cleavage, and decreased the levels of proinflammatory cytokines (IL-1β, TNF-α, IL-6, and IL-18) and inflammatory enzymes (COX-2 and iNOS). Under the same conditions, METTL3 knockdown inhibited, whereas METTL3 overexpression promoted p65 phosphorylation in MODE-K cells; NF-κB inhibitor JSH-23 partially abolished the promotive effects of METTL3 overexpression upon p65 phosphorylation. Consistently, the effects of METTL3 overexpression upon LPS-stimulated MODE-K cells were partially abolished by JSH-23. Lastly, METTL3 knockdown in DSS-induced IBD mice significantly ameliorated DSS-induced IBD and inhibited DSS-induced p65 phosphorylation. In conclusion, METTL3 overexpression aggravates LPS-induced cellular inflammation in mouse intestinal epithelial cells and DSS-induced IBD in mice. The NF-κB signaling might be involved, and the regulatory mechanism remains to be investigated in our future study.
Normality sensing licenses local T cells for innate-like tissue surveillance
Authors: McKenzie Duncan R. , Hart Rosie , Bah Nourdine , Ushakov Dmitry S. , Muñoz-Ruiz Miguel , Feederle Regina , Hayday Adrian C.
Published: February 2022

The increasing implication of lymphocytes in general physiology and immune surveillance outside of infection poses the question of how their antigen receptors might be involved. Here, we show that macromolecular aggregates of intraepidermal γδ T cell antigen receptors (TCRs) in the mouse skin aligned with and depended on Skint1, a butyrophilin-like (BTNL) protein expressed by differentiated keratinocytes (KCs) at steady state. Interruption of TCR-mediated ‘normality sensing’ had no impact on γδ T cell numbers but altered their signature phenotype, while the epidermal barrier function was compromised. In addition to the regulation of steady-state physiology, normality sensing licensed intraepidermal T cells to respond rapidly to subsequent tissue perturbation by using innate tumor necrosis factor (TNF) superfamily receptors. Thus, interfering with Skint1-dependent interactions between local γδ T cells and KCs at steady state increased the susceptibility to ultraviolet B radiation (UVR)-induced DNA damage and inflammation, two cancer-disposing factors.
Range expansion decreases the reproductive fitness of Gentiana officinalis (Gentianaceae)
Authors: Hou Qin-zheng , ur Rahman Nasib , Ali Ahmad , Wang Yu-pei , Shah Sakhawat , Nurbiye Ehmet , Shao Wen-juan , Ilyas Muhammad , Sun Kun , Li Rui , Said Fazal , Fahad Shah
Published: February 2022

Plants living at the edge of their range boundary tend to suffer an overall decline in their fitness, including growth and reproduction. However, the reproductive performance of plants in artificially expanded habitats is rarely investigated, although this type of study would provide a better understanding of range limitations and improved conservation of ex situ plants. In the current study, we transplanted a narrowly dispersed species of Gentiana officinalis H. Smith (Gentianaceae) from its natural area of distribution to two different elevations and natural elevation to comprehensively study its pollination biology, including flowering phenology and duration, floral display, reproductive allocation, pollinator activity, and seed production. The findings indicated that the starting point and endpoint of the flowering phenology of G. officinalis were earlier at the low elevation, but the peak flowering periods did not differ significantly between any of the experimental plots. When transplanted, the flowering duration, especially the female phase, was reduced; the floral display, including spray numbers, flower numbers, and flower size (length and width), decreased, especially at high elevations. Moreover, the pollen numbers and pollen-ovule ratio were decreased at both high and low elevations, although the ovule numbers showed no change, and aboveground reproductive allocation was decreased. Furthermore, pollinator richness and activity were significantly decreased, and the seed-set ratio decreased under both natural conditions and with supplemental pollination. Finally, more severe pollen limitation was found in transplanted individuals. These results indicated an overall decrease in reproductive fitness in plants living outside their original area of distribution when the geographical range of G. officinalis was expanded.
DNA tile self-assembly driven by antibody-mediated four-way branch migration
Authors: Cui Xingdi , Liu Yuan , Zhang Qiang
Published: February 2022

The antibody-mediated four-way branch migration mechanism provides a novel idea for realizing the assembly of nanostructures, simply by attaching structures such as tiles, proteins, quantum dots,etc. to the ends of the four-way branches.
Potassium tert-butoxide promoted regioselective deuteration of pyridines
Authors: Li Yan , Zheng Chenxu , Jiang Zhi-Jiang , Tang Jianbo , Tang Bencan , Gao Zhanghua
Published: February 2022

Regioselective β- and γ-deuteration of pyridine was achieved under mild condition through a carbanion pathway with dimsyl-d5 intermediate.
Tropo(thio)ne-embedded homoHPHACs: does the tropylium cation induce global antiaromaticity in expanded hexapyrrolohexaazacoronene?
Authors: Takase Masayoshi , Ueno Atsushi , Oki Kosuke , Matsumoto Hiroki , Mori Shigeki , Okujima Tetsuo , Uno Hidemitsu
Published: February 2022

π-Expanded homoHPHACs with thiocarbonyl and carbonyl bridges change their global aromaticity in response to external stimuli as observed in tropothione and tropone.
A dicyanomethyl radical stabilized by ferrocene: a new building block for radical-based dynamic covalent chemistry with redox activity
Authors: Ishimoto Misato , Sakamaki Daisuke , Fujiwara Hideki
Published: February 2022

A novel dicyanomethyl radical conjugated with ferrocene is prepared for the first time and proved to be utilized as a building block of Dynamic Covalent Chemistry (DCC).
Two anhydrous forms and one monohydrate of a cocrystal of axitinib and glutaric acid: characterization, property evaluation and phase transition study
Authors: Ren Bo-Ying , Dai Xia-Lin , Chen Jia-Mei , Lu Tong-Bu
Published: February 2022

Two anhydrous forms and one monohydrate of a cocrystal of axitinib and glutaric acid were obtained, and investigation of their phase transition relationship as well as characterization and property evaluation was carried out.
Phenanthrene: establishing lower and upper bounds to the binding energy of a very weakly bound anion
Authors: Gruber Elisabeth , Kollotzek Siegfried , Bergmeister Stefan , Zappa Fabio , Ončák Milan , Scheier Paul , Echt Olof
Published: February 2022

Collisional excitation of CaPh−, formed in helium nanodroplets, produces Ca− but no phenanthrene anions. We conclude that the EA of Ph is below that of Ca, i.e. below 24.55 meV.
Photoisomerization of a 4-dicyanomethylene-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran analog dye: a combined photophysical and theoretical investigation
Authors: Zhou Yang , Maisonneuve Stéphane , Casimiro Lorenzo , Retailleau Pascal , Xie Juan , Maurel François , Métivier Rémi
Published: February 2022

The effect of the four isomeric forms of DCM on its emission and photoreactivity is highlighted, based on a suitable combination of experimental data (structures and spectroscopy) and theoretical computations (DFT and spin–flip TDDFT).
Dynamics of electron ejection on photoionization of trans-stilbene and biphenyl in acetonitrile as observed with femtosecond time-resolved near-IR absorption spectroscopy
Authors: Kajita Mizuho , Takaya Tomohisa , Iwata Koichi
Published: February 2022

An electron is released in <0.3 ps from aromatic compounds, while their radical cations apparently rise in ∼20 ps.
Nanodiscs: a versatile nanocarrier platform for cancer diagnosis and treatment
Authors: Bariwal Jitender , Ma Hairong , Altenberg Guillermo A. , Liang Hongjun
Published: February 2022

Nanodiscs (NDs) are novel drug carriers for cancer diagnosis and treatment with improved pharmacokinetics and bioavailability.
Oxime-modified hierarchical self-assembly polyimide microspheres for high-efficient uranium recovery from wastewater
Authors: Zhu Lien , Zhang Chunhong , Ma Fuqiu , Bi Changlong , Zhu Ruiqi , Qin Feifan , Liu Lijia , Bai Jianwei , Dong Hongxing , Satoh Toshifumi
Published: February 2022

A new oxime-modified hierarchical self-assembled polyimide adsorbent with high adsorption capacity, excellent selectivity and recyclability, and the applicability of fixed-bed column adsorption was developed to recycle uranium from wastewater.
Choline hydroxide based deep eutectic solvent for dissolving cellulose
Authors: Zhong Yinglin , Wu Jingwei , Kang Hongliang , Liu Ruigang
Published: February 2022

New cellulose solvent based on choline hydroxide/urea (ChOH/Ur) deep eutectic solvent (DES) was developed.
Pd-Nanoparticles@layered double hydroxide/reduced graphene oxide (Pd NPs@LDH/rGO) nanocomposite catalysts for highly efficient green reduction of aromatic nitro compounds
Authors: Azharul Islam Dewan , Acharya Himadri
Published: February 2022

A ZnAl-LDH/rGO-supported Pd NPs catalyst for the efficient and sustainable catalytic hydrogenation of substituted aromatic nitro compounds.
Prediction of atomically thin two-dimensional single monolayer SnGe with high carrier mobility: a DFT study
Authors: Mufti Hareem , Jalil Abdul , Ilyas S. Z. , Ahmed Sarfraz , Hassan Ather , Zhao Ting-kai
Published: February 2022

(a) Electron localization function, (b) projected band structure and (c and d) partial charge densities of CBM and VBM of SnGe.
Trends of antimalarial marine natural products: progresses, challenges and opportunities
Authors: Hai Yang , Cai Zi-Mu , Li Peng-Jie , Wei Mei-Yan , Wang Chang-Yun , Gu Yu-Cheng , Shao Chang-Lun
Published: February 2022

This review provides an overview of the antimalarial marine natural products, focusing on their chemistry, malaria-related targets and mechanisms, and highlighting their potential for drug development.
Solution- and gas-phase behavior of decavanadate: implications for mass spectrometric analysis of redox-active polyoxidometalates
Authors: Favre Daniel , Bobst Cedric E. , Eyles Stephen J. , Murakami Heide , Crans Debbie C. , Kaltashov Igor A.
Published: February 2022

Analysis of decavanadate with high resolution mass spectrometry coupled with ion exclusion chromatography reveals naturally occurring partially reduced species in solution and novel gas-phase ion fragmentation pathways.
Efficient anchoring of CuO nanoparticles on Ugi four-component-functionalized graphene quantum dots: colloidal soluble nanoplatform with great photoluminescent and antibacterial properties
Authors: Javanbakht Siamak , Khodkari Vida , Nazeri Mohammd Taghi , Shaabani Ahmad
Published: February 2022

This work deals with the sustainable functionalization of citric acid-based graphene quantum dotsviaa Ugi four-component reaction for effectively anchoring CuO nanoparticles and accordingly improving their colloidal and antibacterial properties.
Influence of hydrocarbon feed additives on the high-temperature pyrolysis of methane in molten salt bubble column reactors
Authors: Palmer Clarke , Gordon Michael J. , Metiu Horia , McFarland Eric W.
Published: February 2022

The rate of methane pyrolysis in molten salt environments is increased with hydrocarbon feed additives which provide a low-cost means of improving the process which could allow for CO2-free hydrogen production at industrial scales.
A multifunctional ligand for defect passivation of perovskite film realizes air-stable perovskite solar cells with efficiencies exceeding 20%
Authors: Shi Zhong-En , Long Jian-Yu , Li Chia-Wei , Hsieh Sheng-Yan , Hsiao Yu-Sheng , Chen Chih-Ping , Yu Yuan-Hsiang
Published: February 2022

High-performance ambient-stable perovskite solar cells have been obtained after incorporating dtdn and urea into the perovskite. The best device performance featured a power conversion efficiency of 20.64% with excellent air-stability for 720 h.
Modeling cancer metastasis using acoustically bio-printed patient-derived 3D tumor microtissues
Authors: Chen Hui , Du Liang , Li Juan , Wu Zhuhao , Gong Zhiyi , Xia Yu , Fan Zhou , Qian Qun , Ding Zhao , Hu Hang , Guo Shishang
Published: February 2022

Modeling cancer metastasis using acoustically bio-printed patient-derived 3D tumor microtissues.
A study of protein–drug interaction based on solvent-induced protein aggregation by fluorescence correlation spectroscopy
Authors: Xue Caining , Yu Wenxin , Song Haohan , Huang Xiangyi , Ren Jicun
Published: February 2022

Based on the inhibition of protein aggregation by drugs in organic solvent systems, we developed an effective method to study protein–drug interaction by fluorescence correlation spectroscopy.
Inhibitory effect of nucleotides on acetylcholine esterase activity and its microflow-based actuation in blood plasma
Authors: Deshwal Akshi , Gill Arshdeep Kaur , Nain Surajmal , Patra Debabrata , Maiti Subhabrata
Published: February 2022

The modulatory behavior of adenine-based nucleotides on the catalytic and micropumping ability of acetylcholine esterase in blood plasma has been demonstrated.
The design and synthesis of metallophthalocyanine–gold nanoparticle hybrids as biological agents
Authors: Farajzadeh Nazli , Aftab Javaria , Yenilmez H. Yasemin , Özdemir Sadin , Gonca Serpil , Bayır Zehra Altuntaş
Published: February 2022

This study reports the biological features of newly prepared aniline containing phthalonitrile/tetra-substituted metallophthalocyanine–gold nanoparticle hybrids for the first time.
Profi-Schlagzeuger mit Armbeschwerden – ein Fallbeispiel
Authors: Avermann Florian , Kapitza Camilla , Möller Dirk
Published: February 2022

Perfekter Anschlag, präzises Timing, optimaler Groove am Schlagzeug – Ziele, die einem Schlagzeuger einiges abverlangen. Vor allem die obere Extremität ist dabei gefordert. Unterstützt durch eine EMG-Analyse wird ein Profi-Schlagzeuger aufgrund seiner Armbeschwerden physiotherapeutisch analysiert und behandelt. Nach der Therapie hat sich nicht nur das EMG verändert, auch „Ghost Notes“ können wieder schmerzfrei gespielt werden.
Neurologische Spätfolgen einer SARS-CoV-2-Infektion
Authors: Michler Enrico , Dolzhenko Yuliia , Altmann Christoph
Published: February 2022

Hintergrund Anhaltende neurologische Spätsymptome einer SARS-CoV-2-Infektion sind häufig und erfordern regelmäßig eine Anschlussheilbehandlung. Zur Etablierung einheitlicher Therapiekonzepte ist die Evaluierung individueller Therapieansätze bei Long- und Post-Covid-Syndrom erforderlich.

Anamnese Ein 62-jähriger Patient wurde nach schwerem Verlauf einer SARS-CoV-2-Infektion mit neurologischen Symptomen zur Anschlussheilbehandlung in unserer Reha-Klinik aufgenommen. Die initial umfangreiche laborchemische und bildgebende Abklärung ergab keine organische Ursache für das teils apoplektiforme, komplexe Krankheitsbild, sodass bei Alltagseinschränkungen und Rollatorabhängigkeit die Direktverlegung in unsere Rehabilitationsklinik erfolgte.

Untersuchung und Befunde Klinisch zeigte sich ein reduzierter Allgemeinzustand bei gedrückter Stimmungslage. Neurologisch imponierte eine Gangataxie, ein Händetremor, eine amnestische Aphasie und verminderte Konzentrationsfähigkeit. Eine PET/CT ergab keinen Hinweis auf einen Tumor oder eine Entzündung.

Therapie und Verlauf Ein multimodales Therapieprogramm, bestehend aus Physio- und Ergotherapie sowie psychologischer Mitbetreuung wurde durchgeführt. Zudem wurde eine Off-Label-Therapie mit oralen Glucocorticoiden und Colchicin initiiert. Im Verlauf kam es zu einer klaren Reduktion aller Symptome mit geringem residuellen Händetremor.

Folgerung Bei Long- und Post-Covid-Patienten mit neurologischen Symptomen unklarer Ursache kann eine Ganzkörper- und Hirn-FDG-PET hilfreich sein. Diese Patienten profitieren von einer systematischen Rehabilitation. Glucocorticoide und Colchicin scheinen die Symptomreduktion zu beschleunigen. Die rehabilitative Therapie sollte ambulant fortgesetzt werden.
Höhenmedizinische Beratung von Patienten mit kardiovaskulären Erkrankungen
Authors: Lechner Raimund , Schneider Jörg
Published: February 2022

Im Artikel werden die koronare Herzkrankheit, die arterielle Hypertonie, die Synkope, der plötzliche Herztod, Arrhythmien und die Herzinsuffizienz im Bezug auf eine akute Höhenexposition im Detail erläutert. Eine kurze Übersicht über Schlafapnoe, pulmonale Hypertonie und Atemwegsinfekte wird ebenfalls gegeben.
Lastkraftwagenfahrer im Fokus von Infektionskrankheiten
Authors: Bußler Sarah , Kellner Nils , Paquet Dennis , Ermisch Jörg , Sheikh Othman Souha Al , Lübbert Christoph
Published: February 2022

In den Jahren 2020 und 2021 kam es zu einer Aufeinanderfolge ungewöhnlich verlaufender Infektionen bei Lastkraftwagenfahrern, die in unserer Klinik behandelt wurden. Anhand von 5 Fallvignetten wird herausgearbeitet, dass Lastkraftwagenfahrer ein erhöhtes Risiko für potenziell schwer verlaufende Infektionskrankheiten durch individuelle und berufsbedingte Risikofaktoren sowie erschwerten Zugang zu medizinischer Versorgung aufweisen. Im professionellen Kontakt mit Patienten dieser Berufsgruppe ist daher besondere Aufmerksamkeit geboten.
Stereoselective Total Synthesis of (+)-Casuarine via a Functionalized Pyrrolidine
Authors: Ham Won-Hun , Myeong In-Soo
Published: February 2022

The stereoselective total synthesis of (+)-casuarine has been achieved via a functionalized pyrrolidine obtained from a chiral 1,3-oxazine. The synthetic strategy includes a stereoselective dihydroxylation reaction using osmium tetroxide and stereoselective Grignard-type vinyl addition reaction as the key steps to generate the two new stereocenters. The dihydroxylation catalyzed by osmium tetroxide formed anti-amino alcohol, and the vinyl addition formed syn-alcohol. (+)-Casuarine was prepared from the functionalized pyrrolidine over 11 steps in an overall yield of 16%.
Random alloy thick AlGaAsSb avalanche photodiodes on InP substrates
Authors: Lee S. , Guo B. , Kodati S. H. , Jung H. , Schwartz M. , Jones A. H. , Winslow M. , Grein C. H. , Ronningen T. J. , Campbell J. C. , Krishna S.
Published: February 2022

We demonstrate low noise random alloy (RA) Al0.85Ga0.15AsSb (hereafter AlGaAsSb) avalanche photodiodes (APDs) nearly lattice-matched to InP substrates. In contrast to digital alloy (DA), RAs are manufacturable due to the ease of growth. The 910 nm-thick RA AlGaAsSb was grown at a low temperature around 450 °C to mitigate phase separation by suppressing surface mobility of adatoms. The high quality of the RA AlGaAsSb material was verified by x-ray diffraction, Nomarski, and atomic force microscope images. Capacitance–voltage measurement found that the background doping concentration was 6–7 × 1014 cm−3, indicating very low impurity density in the RA AlGaAsSb material. Current–voltage measurements were carried out under dark condition and 455 nm laser illumination at room temperature. The breakdown occurs at −58 V. The dark current density at a gain of 10 was found to be 70 μA/cm2. This value is three orders of magnitude lower than previously reported DA AlAs0.56Sb0.44 APDs [Yi et al., Nat. Photonics 13, 683 (2019)], one order of magnitude lower than DA AlGaAsSb [Lee et al., Appl. Phys. Lett. 118, 081106 (2021)], and comparable to RA AlInAsSb APDs [Kodati et al., Appl. Phys. Lett. 118, 091101 (2021)]. In addition, the measured excess noise shows a low k (the ratio of impact ionization coefficients) of 0.01. These noise characteristics make the RA AlGaAsSb multiplier suitable for commercial applications, such as optical communication and LiDAR systems.
A non-motorized spectro-goniometric system to measure the bi-directional reflectance spectra of particulate surfaces in the visible and near-infrared
Authors: Jiang Te , Zhang Hao , Yang Yazhou , Ma Pei , Sun Yuxue , Zhuang Yan
Published: February 2022

Reflectance spectroscopy is a powerful tool for remotely identifying the compositional and physical properties of surface materials. Due to the anisotropic scattering nature of most surfaces, the spectral features, including the absolute reflectance value, spectral slope, and band depth, are influenced by illumination and viewing configurations. Therefore, it is important to understand how spectral features vary with illumination and observation geometries for various particulate surfaces through laboratory measurements. Here, we describe a non-motorized spectro-goniometric system capable of measuring the bi-directional reflectance of particulate surfaces in the upper hemisphere in the wavelength range from 350 to 2150 nm. The incident and the viewing zenith angles can be varied from 0° to 55° and from 0° to 70°, respectively. The relative viewing azimuth angle can be varied from 0° to 360°. Measurements on Labsphere Spectralon agree well with measurements done with other instruments. We also present measurement results on two typical planetary analog materials, the JSC-1A Martian soil simulant and the JSC-1A lunar regolith simulant.
Development of a micro-electrochemical machining nanosecond pulse power supply
Authors: Chang W. J. , Wang S. Y. , Tang H. H. , Dong B. L. , Yang Q. , Chen J. Y. , Chen S. H.
Published: February 2022

Micro-electrochemical machining (micro-ECM) has been widely used for microscale and nanoscale processing of materials. The performance of the nanosecond pulse power supply is directly related to the precision of micro-ECM, which is one of the core technologies for micro-ECM. In this work, a nanosecond pulse power supply, with adjustable pulse frequency, duty cycle, and voltage, was designed with an STM32F103VET6 single-chip microcomputer as the control core and a metal–oxide–semiconductor field-effect transistor as the chopper switch component. The performance test has shown that the power supply can produce a continuous pulse with the highest frequency of 8 MHz, the shortest pulse width of 50 ns, the maximum peak current of 12 A, and the maximum voltage of 10 V. As compared with the power supply reported in the literature, the present power supply demonstrated the enhanced output current and improved waveform of the nanosecond pulse output, which could result in better machining accuracy and efficiency for micro-ECM.
Flexible organic field-effect transistor nonvolatile memory enabling bipolar charge storage by small-molecule floating gate
Authors: Xu Ting , Fan Shuangqing , Cao Minghui , Liu Tong , Su Jie
Published: February 2022

A nonvolatile memory based on the floating-gate organic field-effect transistor was prepared by using the vacuum thermal evaporation taking small-molecule fullerenes (C60) as the floating-gate layer and long-chain alkane molecule tetratetracontane as the tunneling layer. Intrinsic correlations between microstructures of the floating gate and the memory performance, the physical mechanisms of the carrier injection, transfer, and storage, and the relationships between the charge-trapping capability of the floating-gate layers of different thicknesses made of small-molecule C60 and key parameters of the memory were investigated. The results show that the memory covers the charges stored in the manner of the opposite polarity during operation under the programming and erasing voltages. The bipolar charges (electrons and holes) are injected and captured in the floating gate. After optimization, the high-performance memory has an average memory window of 6.5 V, remains stable for more than one year, and is reliable for more than 220 programming/erasing cycles. Moreover, the memory also has excellent endurance to mechanical bending and retains favorable storage stability after being compressed or tensed 500 times to a bend-radius of 5 mm.
The many-body electronic interactions of Fe(II)–porphyrin
Authors: Rask A. E. , Zimmerman P. M.
Published: February 2022

Fe(II)–porphyrin complexes exhibit a diverse range of electronic interactions between the metal and macrocycle. Herein, the incremental full configuration interaction method is applied to the entire space of valence orbitals of a Fe(II)–porphyrin model using a modest basis set. A novel visualization framework is proposed to analyze individual many-body contributions to the correlation energy, providing detailed maps of this complex’s highly correlated electronic structure. This technique is used to parse the numerous interactions of two low-lying triplet states (3A2g and 3Eg) and to show that strong metal d–d and macrocycle π–π orbital interactions preferentially stabilize the 3A2g state. d–π interactions, on the other hand, preferentially stabilize the 3Eg state and primarily appear when correlating six electrons at a time. Ultimately, the Fe(II)–porphyrin model’s full set of 88 valence electrons are correlated in 275 orbitals, showing the interactions up to the 4-body level, which covers the great majority of correlations in this system.
Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen
Authors: Eikey Emily A. , Maldonado Alex M. , Griego Charles D. , von Rudorff Guido Falk , Keith John A.
Published: February 2022

Bonding energies play an essential role in describing the relative stability of molecules in chemical space. Therefore, methods employed to search chemical space need to capture the bonding behavior for a wide range of molecules, including radicals. In this work, we investigate the ability of quantum alchemy to capture the bonding behavior of hypothetical chemical compounds, specifically diatomic molecules involving hydrogen with various electronic structures. We evaluate equilibrium bond lengths, ionization energies, and electron affinities of these fundamental systems. We compare and contrast how well manual quantum alchemy calculations, i.e., quantum mechanics calculations in which the nuclear charge is altered, and quantum alchemy approximations using a Taylor series expansion can predict these molecular properties. Our results suggest that while manual quantum alchemy calculations outperform Taylor series approximations, truncations of Taylor series approximations after the second order provide the most accurate Taylor series predictions. Furthermore, these results suggest that trends in quantum alchemy predictions are generally dependent on the predicted property (i.e., equilibrium bond length, ionization energy, or electron affinity). Taken together, this work provides insight into how quantum alchemy predictions using a Taylor series expansion may be applied to future studies of non-singlet systems as well as the challenges that remain open for predicting the bonding behavior of such systems.
Electrical transport properties of thick and thin Ta-doped SnO2 films
Authors: Gao Zong-Hui , Wang Zi-Xiao , Hou Dong-Yu , Liu Xin-Dian , Li Zhi-Qing
Published: February 2022

Ta-doped SnO2 films with high conductivity and high optical transparency have been successfully fabricated using the rf-sputtering method, and their electrical transport properties have been investigated. All films reveal degenerate semiconductor (metal) characteristics in electrical transport properties. For the thick films (t∼1μm with t being the thickness) deposited in pure argon, the electron–phonon scattering alone cannot explain the temperature-dependent behaviors of resistivity, the interference effect between electron–phonon and electron–impurity scattering should be considered. For t≲36 nm films, both the conductivity and the Hall coefficient show a linear relation with the logarithm of temperature (ln⁡T) from ∼100 K down to liquid helium temperature. The ln⁡T behaviors of conductivity and Hall coefficient cannot be explained by the Altshuler-Aronov type electron–electron interaction effect but can be quantitatively interpreted by the electron–electron interaction effects in the presence of granularity. Our results not only provide strong support for the theoretical results on the electron–phonon–impurity interference effect, but also confirm the validity of the theoretical predictions of charge transport in granular metals in a strong coupling regime.
The role of surface pretreatment by low temperature O2 gas annealing for
β
-Ga2O3 Schottky barrier diodes
Authors: Hu Haodong , Feng Ze , Wang Yibo , Liu Yan , Dong Hong , Liu Yue-Yang , Hao Yue , Han Genquan
Published: February 2022

β-Ga2O3 based Schottky barrier diodes (SBDs) with low temperature O2 gas annealing pretreatment is investigated. Improved electrical performance and uniformity are seen, which is expected that oxygen vacancies at the surface are passivated and Schottky barrier height (SBH) is lowered upon this pretreatment. The mechanism is interrogated by x-ray photoelectron spectroscope (XPS) measurements and first-principles modeling. The SBH lowering is consistent with the change in the interface dipole at the W/Ga2O3 interface, as evidenced by XPS results. The first principles modeling explained that SBH decrease is caused by the VO elimination. This work shows an effective approach to engineering the interface with improved electrical performance of β-Ga2O3 SBDs.
Beating the limitation of the Néel temperature of FeO with antiferromagnetic proximity in FeO/CoO
Authors: Kozioł-Rachwał A. , Szpytma M. , Spiridis N. , Freindl K. , Korecki J. , Janus W. , Nayyef H. , Dróżdż P. , Ślęzak M. , Zając M. , Ślęzak T.
Published: February 2022

In our study, we investigate the influence of the proximity of an antiferromagnetic CoO layer on magnetic properties of ultrathin wüstite (FeO) films. Comparative Mössbauer spectroscopy measurements for MgO/FeO/MgO(001) and MgO/FeO/CoO/MgO(001) show that the neighboring CoO layer can significantly enhance the ordering temperature (TN) of wüstite. Importantly, we find that the proximity of antiferromagnetic CoO strongly influences the exchange interaction at the Fe/FeO interface in the Fe/FeO/CoO heterostructure. We observe a 500% enhancement in the exchange bias field and a double increase in the blocking temperature compared to the Fe/FeO bilayer. Our results show that the limitation of the low ordering temperature of a seemingly application-useless antiferromagnet can be overcome by antiferromagnetic proximity.
Projected CAP-EOM-CCSD method for electronic resonances
Authors: Gayvert James R. , Bravaya Ksenia B.
Published: February 2022

The complex absorbing potential equation-of-motion coupled-cluster (CAP-EOM-CC) method is routinely used to investigate metastable electronic states in small molecules. However, the requirement of evaluating eigenvalue trajectories presents a barrier to larger simulations, as each point corresponding to a different value of the CAP strength parameter requires a unique eigenvalue calculation. Here, we present a new implementation of CAP-EOM-CCSD that uses a subspace projection scheme to evaluate resonance positions and widths at the overall cost of a single electronic structure calculation. We analyze the performance of the projected CAP-EOM-CC scheme against the conventional scheme, where the CAP is incorporated starting from the Hartree–Fock level, for various small and medium sized molecules, and investigate its sensitivity to various parameters. Finally, we report resonance parameters for a set of molecules commonly used for benchmarking CAP-based methods, and we report estimates of resonance energies and widths for 1- and 2-cyanonaphtalene, molecules that were recently detected in the interstellar medium.
Supervised perceptron learning vs unsupervised Hebbian unlearning: Approaching optimal memory retrieval in Hopfield-like networks
Authors: Benedetti Marco , Ventura Enrico , Marinari Enzo , Ruocco Giancarlo , Zamponi Francesco
Published: February 2022

The Hebbian unlearning algorithm, i.e., an unsupervised local procedure used to improve the retrieval properties in Hopfield-like neural networks, is numerically compared to a supervised algorithm to train a linear symmetric perceptron. We analyze the stability of the stored memories: basins of attraction obtained by the Hebbian unlearning technique are found to be comparable in size to those obtained in the symmetric perceptron, while the two algorithms are found to converge in the same region of Gardner’s space of interactions, having followed similar learning paths. A geometric interpretation of Hebbian unlearning is proposed to explain its optimal performances. Because the Hopfield model is also a prototypical model of the disordered magnetic system, it might be possible to translate our results to other models of interest for memory storage in materials.
Explaining the structure sensitivity of Pt and Rh for aqueous-phase hydrogenation of phenol
Authors: Barth Isaiah , Akinola James , Lee Jonathan , Gutiérrez Oliver Y. , Sanyal Udishnu , Singh Nirala , Goldsmith Bryan R.
Published: February 2022

Phenol is an important model compound to understand the thermocatalytic (TCH) and electrocatalytic hydrogenation (ECH) of biomass to biofuels. Although Pt and Rh are among the most studied catalysts for aqueous-phase phenol hydrogenation, the reason why certain facets are active for ECH and TCH is not fully understood. Herein, we identify the active facet of Pt and Rh catalysts for aqueous-phase hydrogenation of phenol and explain the origin of the size-dependent activity trends of Pt and Rh nanoparticles. Phenol adsorption energies extracted on the active sites of Pt and Rh nanoparticles on carbon by fitting kinetic data show that the active sites adsorb phenol weakly. We predict that the turnover frequencies (TOFs) for the hydrogenation of phenol to cyclohexanone on Pt(111) and Rh(111) terraces are higher than those on (221) stepped facets based on density functional theory modeling and mean-field microkinetic simulations. The higher activities of the (111) terraces are due to lower activation energies and weaker phenol adsorption, preventing high coverages of phenol from inhibiting hydrogen adsorption. We measure that the TOF for ECH of phenol increases as the Rh nanoparticle diameter increases from 2 to 10 nm at 298 K and −0.1 V vs the reversible hydrogen electrode, qualitatively matching prior reports for Pt nanoparticles. The increase in experimental TOFs as Pt and Rh nanoparticle diameters increase is due to a larger fraction of terraces on larger particles. These findings clarify the structure sensitivity and active site of Pt and Rh for the hydrogenation of phenol and will inform the catalyst design for the hydrogenation of bio-oils.