bluuebunny/crossref_metadata_2025 huggingface dataset:
Two decades of Martini: Better beads, broader scope
Authors: Marrink Siewert J. , Monticelli Luca , Melo Manuel N. , Alessandri Riccardo , Tieleman D. Peter , Souza Paulo C. T.
Published: June 2022

The Martini model, a coarse‐grained force field for molecular dynamics simulations, has been around for nearly two decades. Originally developed for lipid‐based systems by the groups of Marrink and Tieleman, the Martini model has over the years been extended as a community effort to the current level of a general‐purpose force field. Apart from the obvious benefit of a reduction in computational cost, the popularity of the model is largely due to the systematic yet intuitive building‐block approach that underlies the model, as well as the open nature of the development and its continuous validation. The easy implementation in the widely used Gromacs software suite has also been instrumental. Since its conception in 2002, the Martini model underwent a gradual refinement of the bead interactions and a widening scope of applications. In this review, we look back at this development, culminating with the release of the Martini 3 version in 2021. The power of the model is illustrated with key examples of recent important findings in biological and material sciences enabled with Martini, as well as examples from areas where coarse‐grained resolution is essential, namely high‐throughput applications, systems with large complexity, and simulations approaching the scale of whole cells.

This article is categorized under:

Software > Molecular Modeling

Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods

Structure and Mechanism > Computational Materials Science

Structure and Mechanism > Computational Biochemistry and Biophysics
On dual solutions of the three‐dimensional Hiemenz flow over a stretching/shrinking sheet
Authors: Sarkar Golam Mortuja , Sahoo Bikash
Published: June 2022

The steady three‐dimensional Hiemenz flow over a stretching/shrinking sheet of a viscous incompressible fluid is studied. In a very recent paper, Weidman in 2020 has modified the two‐dimensional Hiemenz flow by adding some periodic terms onto the outer potential flow and made it three‐dimensional Hiemenz flow over a rigid plate. Suppose we replace the rigid plate with a stretching sheet that gives a new family of three‐dimensional viscous stagnation‐point flows depending on the shear‐to‐strain rate parameter γ and stretching parameter λ. The similarity equations are solved numerically with the shooting technique. Numerical solutions for the sheet shear stress parameters and displacement thicknesses are reported and compared with asymptotic solutions behaviors. Dual solutions of the similarity equations are found numerically in both the stretching and shrinking cases. A linear temporal stability analysis is conducted to determine the physically reliable solution, revealing that the “First solution” is stable. Sample similarity velocity profiles are also presented for both the solutions and discussed in detail.
Dual-Band General Toeplitz Operators
Authors: Câmara M. Cristina , O’Loughlin Ryan , Partington Jonathan R.
Published: June 2022

We relate dual-band general Toeplitz operators to block truncated Toeplitz operators and, via equivalence after extension, with Toeplitz operators with $$4 \times 4$$

4
×
4

matrix symbols. We discuss their norm, their kernel, Fredholmness, invertibility and spectral properties in various situations, focusing on the spectral properties of the dual-band shift, which turns out to be considerably complex, leading to new and nontrivial connections with the boundary behaviour of the associated inner function.
Effects of pH alterations on stress- and aging-induced protein phase separation
Authors: Jin Xuejiao , Zhou Min , Chen Shuxin , Li Danqi , Cao Xiuling , Liu Beidong
Published: June 2022

Upon stress challenges, proteins/RNAs undergo liquid–liquid phase separation (LLPS) to fine-tune cell physiology and metabolism to help cells adapt to adverse environments. The formation of LLPS has been recently linked with intracellular pH, and maintaining proper intracellular pH homeostasis is known to be essential for the survival of organisms. However, organisms are constantly exposed to diverse stresses, which are accompanied by alterations in the intracellular pH. Aging processes and human diseases are also intimately linked with intracellular pH alterations. In this review, we summarize stress-, aging-, and cancer-associated pH changes together with the mechanisms by which cells regulate cytosolic pH homeostasis. How critical cell components undergo LLPS in response to pH alterations is also discussed, along with the functional roles of intracellular pH fluctuation in the regulation of LLPS. Further studies investigating the interplay of pH with other stressors in LLPS regulation and identifying protein responses to different pH levels will provide an in-depth understanding of the mechanisms underlying pH-driven LLPS in cell adaptation. Moreover, deciphering aging and disease-associated pH changes that influence LLPS condensate formation could lead to a deeper understanding of the functional roles of biomolecular condensates in aging and aging-related diseases.
Antibiotikaeinsatz zu Prophylaxe und empirischer Therapie von frakturassoziierten Infektionen in Deutschland
Authors: Bärtl Susanne , Walter Nike , Lang Siegmund , Hitzenbichler Florian , Rupp Markus , Alt Volker
Published: June 2022

Hintergrund

Antibiotika (AB) spielen eine wichtige Rolle in der Prophylaxe und Behandlung von Infektionen in der Unfallchirurgie. Dennoch scheint es gerade bei der Infektionsprophylaxe nach offenen Frakturen und auch bei der empirischen Therapie von frakturassoziierten Infektionen (FRI) große Unterschiede zwischen einzelnen Kliniken zu geben.

Methodik

An deutschen Universitäts- und berufsgenossenschaftlichen Kliniken wurde eine Umfrage zu Prophylaxe und empirischer AB-Therapie von FRI durchgeführt. Die AB-Regime wurden mit dem Resistenzprofil der Erreger bei 86 FRI-Patienten verglichen, um die theoretische Wirksamkeit der jeweiligen Therapien zu ermitteln.

Ergebnisse

Von 71 Kliniken antworteten insgesamt 44 (62,0 %). Bei geschlossenen Frakturen zeigte sich mit der Verwendung von Cephalosporinen in 95,5 % der Kliniken ein einheitliches Bild. Für offene Frakturen wurden 8 verschiedene AB-Regime berichtet, wobei Aminopenicilline/β-Lactamase-Inhibitor (BLI) (31,8 %) am häufigsten genannt wurden. Für die empirische Therapie der FRI wurden 12 verschiedene AB-Regime angegeben, am häufigsten Aminopenicilline/BLI (31,8 %), Cephalosporine (31,8 %) und Ampicillin/Sulbactam + Vancomycin (9,1 %). Hinsichtlich der empirischen Therapie der FRI zeigten sich niedrige Sensibilitätsraten für Cephalosporine (65,1 %) bzw. Aminopenicillinen/BLI (74,4 %). Für die Kombination Vancomycin + Meropenem ergab sich mit 91,9 % die höchste hypothetische Sensibilität.

Diskussion

Im Abgleich mit dem vorliegenden, einrichtungsspezifischen Keimspektrum erscheint die Kombinationstherapie Vancomycin + Meropenem für die empirische Therapie sinnvoll, sollte jedoch Patienten mit mehrfachen Revisionseingriffen oder septischen Infektionsverläufen vorbehalten bleiben, um die Selektion hochresistenter Keime zu vermeiden.

Graphic abstract
Experimental investigation of residual stress distribution on girth welds fabricated at proximity using neutron diffraction technique
Authors: Bhardwaj Sachin , Ratnayake R. M. Chandima , Polatidis Efthymios , Capek Jan
Published: June 2022

Maintaining minimum distance between repair and existing welds often becomes impractical due to the presence of compact layouts, original welds of branches, nozzles, etc. on offshore structural elements, pipelines, and piping. Although some international codes and standards provide criteria for maintaining a minimum distance between proximity welds, most of them lack technical justification in relation to their effect on the structural integrity of welded components. The development of residual stresses has a significant effect (i.e., a negative effect on tensile stresses and a positive effect on compressive stresses) on the integrity of the welds fabricated at proximity. Hence, it is important to investigate the residual stress distribution on welds fabricated at proximity, especially at a distance away from the weld toe. This study presents findings on the characterization of residual stresses by neutron diffraction at the proximity region between two girth welds. The two welds were fabricated at proximity, using two different welding procedure specifications and at three different distances, on a structural steel pipe, grade S355. The three different welding distances between weld toes were maintained at 5, 10, and 15 mm respectively. The neutron diffraction-based residual stress distributions were investigated at the POLDI neutron instrument at the Swiss spallation source SINQ in Switzerland. The axial, hoop, and radial components of the residual stresses were experimentally investigated between proximity welds. The findings revealed that residual axial stresses at a 5-mm proximity distance were increased beyond the yield strength of the structural steel, grade S355. The findings of this study enable practitioners to take remedial actions to minimize the residual stresses developed in girth welds fabricated at proximity. Also, the findings enable us to derive technical justification for maintaining a minimum distance and developing welding procedure for welds fabricated at proximity.
Variational Analysis of the $$J_1$$–$$J_2$$–$$J_3$$ Model: A Non-linear Lattice Version of the Aviles–Giga Functional
Authors: Cicalese Marco , Forster Marwin , Orlando Gianluca
Published: June 2022

We study the variational limit of the frustrated$$J_1$$J1–$$J_2$$J2–$$J_3$$J3spin model on the square lattice in the vicinity of the ferromagnet/helimagnet transition point as the lattice spacing vanishes. We carry out the$$\Gamma $$Γ-convergence analysis of proper scalings of the energy and we characterize the optimal cost of a chirality transition inBVproving that the system is asymptotically driven by a discrete version of a non-linear perturbation of the Aviles–Giga energy functional.
Das Kaposi-Sarkom – eine Komplikation bei therapierefraktärer Colitis ulcerosa
Authors: Fischer Anne Kristin , Kroesen Anton , Büttner Reinhard , Drebber Uta
Published: June 2022

Wir berichten über den Zufallsbefund eines Kaposi-Sarkoms des Kolons bei schwerer therapierefraktärer Colitis ulcerosa. Die Patientin war zuvor lange immunsuppressiv mit Infliximab, Vedolizumab und Prednisolon behandelt worden. Serologische Untersuchungen schlossen eine HIV(„human immunodeficiency virus“)-Infektion aus.
Age, growth and maturity of Southern Ocean skates (Bathyraja spp.) from the Kerguelen Plateau
Authors: Wong Darren , Smart Jonathan J. , Barrow Joshua , Cleeland Jaimie , Yates Peter , Ziegler Philippe , Rizzari Justin R.
Published: June 2022

Three species of Southern Ocean skates, Bathyrajaeatonii,Bathyrajairrasa and Bathyrajamurrayi, are commonly caught as incidental by-catch in fisheries around Heard Island and McDonald Islands of the Kerguelen Plateau. We used length-at-age data to present the species’ life history information (age, growth and maturity for the first-time). Length- and age-at-maturity analyses revealed that B.irrasa matured at > 6 years old and > 1000 mm total length (TL), which was older and larger than B.murrayi (> 5 years old and > 400 mm TL) but similar to B.eatonii (> 5 years old and > 900 mm). We fitted growth models using a multi-model Bayesian framework. Our findings support the assumption that B.irrasa is slow growing and late maturing compared to B.eatonii and B.murrayi, consequently putting it at greater risk to fishery-induced increases in mortality compared to other species (e.g., B.murrayi). This is the first-time age and growth has been estimated for these species, however sample sizes for B.murrayi and B.eatonii were small and hence growth models should be interpreted with caution. Our results represent vital information for population projection models and can therefore assist in the development and/or revision of current by-catch limits to inform ongoing management strategies and conservation efforts.
Favourable long-term recovery after decompressive craniectomy: the Northern Finland experience with a predominantly adolescent patient cohort
Authors: Korhonen Tommi K. , Suo-Palosaari Maria , Serlo Willy , Lahtinen Maija J. , Tetri Sami , Salokorpi Niina
Published: June 2022

Purpose

Decompressive craniectomy (DC) is an effective treatment of intracranial hypertension. Correspondingly, the procedure is increasingly utilised worldwide. The number of patients rendered vegetative following surgery has been a concern—a matter especially important in children, due to long anticipated lifetime. Here, we report the long-term outcomes of all paediatric DC patients from an 11-year period in a tertiary-level centre that geographically serves half of Finland.

Methods

We identified all patients younger than 18 years who underwent DC in the Oulu University Hospital between the years 2009 and 2019. Outcomes and clinicoradiological variables were extracted from the patient records.

Results

Mean yearly prevalence of brain injury requiring DC was 1.34/100 000 children—twenty-four patients underwent DC during the study period and 21 (88%) survived. The median age of the patients was 16.0 years, and the median preoperative GCS was 5.0 (IQR 5.0). Fifteen patients (63%) had made a good recovery (Extended Glasgow Outcome Scale ≥ 7). Of the surviving patients, two (9.5%) had not returned to school. After traumatic brain injury (n = 20), the Rotterdam CT score (mean 3.0, range 1 to 5) was not associated with mortality, poor recovery or inability to continue school (p = 0.13, p = 0.41, p = 0.43, respectively). Absent basal cisterns were associated with mortality (p = 0.005), but not with poor recovery if the patient survived DC (p = 0.81). Hydrocephalus was associated with poor recovery and inability to continue school (p = 0.01 and p = 0.03, respectively).

Conclusion

Most of our patients made a favourable recovery and were able to continue school. No late mortality was observed. Thus, even in clinically and radiologically severely brain-injured children, decompressive craniectomy appears to yield favourable outcomes.
Fount, fate, features, and function of renal erythropoietin-producing cells
Authors: Dahl Sophie L. , Bapst Andreas M. , Khodo Stellor Nlandu , Scholz Carsten C. , Wenger Roland H.
Published: June 2022

Renal erythropoietin (Epo)-producing (REP) cells represent a rare and incompletely understood cell type. REP cells are fibroblast-like cells located in close proximity to blood vessels and tubules of the corticomedullary border region. Epo mRNA in REP cells is produced in a pronounced “on–off” mode, showing transient transcriptional bursts upon exposure to hypoxia. In contrast to “ordinary” fibroblasts, REP cells do not proliferate ex vivo, cease to produce Epo, and lose their identity following immortalization and prolonged in vitro culture, consistent with the loss of Epo production following REP cell proliferation during tissue remodelling in chronic kidney disease. Because Epo protein is usually not detectable in kidney tissue, and Epo mRNA is only transiently induced under hypoxic conditions, transgenic mouse models have been developed to permanently label REP cell precursors, active Epo producers, and inactive descendants. Future single-cell analyses of the renal stromal compartment will identify novel characteristic markers of tagged REP cells, which will provide novel insights into the regulation of Epo expression in this unique cell type.
Ethikbildung in der Pflege – strukturelle Besonderheiten und didaktische Implikationen der Pflegeausbildung
Authors: Riedel Annette , Lehmeyer Sonja , Monteverde Settimio
Published: June 2022

Die Pflegeausbildung weist die Besonderheit auf, dass die berufliche Bildung an unterschiedlichen Lernorten erfolgt. Die jeweils beteiligten Lernorte (Lernort Theorie, Lernort Praxis, zunehmend erweitert durch den dritten Lernort, das Skillslab) beeinflussen und fördern die Entwicklung der Ethikkompetenzen der angehenden Pflegfachpersonen – lernortspezifisch als auch lernortübergreifend – in unterschiedlicher Weise. Diese besonderen strukturellen Gegebenheiten des Lehrens und Lernens wirken sich sowohl auf die Ausgestaltung der Ethikbildung als auch auf die Förderung der Ethikkompetenzentwicklung im Ausbildungsverlauf aus.

Die Ausführungen leitet die folgende Frage: Welche spezifischen pädagogischen und didaktischen Anforderungen, aber auch welche bildungsrelevanten Rahmungen ergeben sich angesichts der unterschiedlichen Lernorte für die Ethikbildung und die Ethikkompetenzentwicklung zukünftiger Pflegefachpersonen?

Der Beitrag unterstreicht die Relevanz einer systematischen, methodisch reflektierten und lernortabgestimmten Ethikbildung im Bereich der Pflegeausbildung wie auch die Relevanz der bewussten Einbindung ethischer Reflexionsräume in die Prozesse der Ethikkompetenzentwicklung an den jeweiligen Lernorten. Die Besonderheiten der Ethikbildung erschließen sich hierbei aus den pflegeberuflichen Anforderungen an das professionelle Pflegehandeln und aus den Erfahrungen der Lernenden an den unterschiedlichen Lernorten im Verlauf der Pflegeausbildung.
Reliable plagiarism detection system based on deep learning approaches
Authors: El-Rashidy Mohamed A. , Mohamed Ramy G. , El-Fishawy Nawal A. , Shouman Marwa A.
Published: June 2022

The phenomenon of scientific burglary has seen a significant increase recently due to the technological development in software. Therefore, many types of research have been developed to address this phenomenon. However, detecting lexical, syntactic, and semantic text plagiarism remains to be a challenge. Thus, in this study, we have computed and recorded all the features that reflect different types of text similarities in a new database. The created database is proposed for intelligent learning to solve text plagiarism detection problems. Using the created database, a reliable plagiarism detection system is also proposed, which depends on intelligent deep learning. Different approaches to deep learning, such as convolution and recurrent neural network architectures, were considered during the construction of this system. A comparative study was implemented to evaluate the proposed intelligent system on the two benchmark datasets: PAN 2013 and PAN 2014 of the PAN Workshop series. The experimental results showed that the proposed system based on long short-term memory (LSTM) achieved the first rank compared to up-to-date ranking systems.
Hausgemachte Inflationsrisiken
Authors: Kooths Stefan
Published: June 2022

The COVID-19 pandemic massively interrupted economic activity all over the world. Governments responded by running huge fiscal deficits (financed via central banks) to support firms and consumers, thereby injecting purchasing power into the private sector on a large scale. With no corresponding production of goods and services, these phantom incomes are by their very nature inflationary. This explains the root cause of the post-pandemic price pressure. New fiscal programs created to compensate resulting losses of purchasing power only prolong the inflationary phase. Anchored inflation expectations are key to keeping the inflation process temporary. While this clearly falls under the responsibility of the monetary authorities, fiscal policymakers should support central banks by quickly ending the crisis mode. This is particularly important for the euro area where the problem of fiscal dominance would otherwise continue to increase.
Ein Vorschlag zur Reform der Slotvergabe an kapazitätsbeschränkten Verkehrsflughäfen
Authors: Knorr Andreas , Eisenkopf Alexander
Published: June 2022

Luftverkehrsdienste benötigen ergänzende boden- und luftseitige Infrastrukturen. Kapazitätsbeschränkungen des Start- und Landebahnsystems eines Flughafens stellen einen erheblichen Engpass dar. Das Nutzungsrecht hängt von der Verfügbarkeit eines Slots ab. Wenn die Nachfrage nach Slots das Angebot übersteigt, ist ein Zuweisungsverfahren erforderlich. In den meisten Ländern der Welt gibt es dafür keinen Marktmechanismus. Eine Besitzstandsklausel beschränkt den Zutritt für Neueinsteiger auf überlasteten Flughäfen. Aus der Perspektive der Eigentumsrechte lässt sich Abhilfe schaffen.
Krisenbewältigung beim Bafög durch einen Systemwechsel?
Authors: Gwosć Christoph , van der Beek Gregor
Published: June 2022

Öffentliche Studienfinanzierung kann entweder nach dem Fürsorge- oder dem Versorgungsprinzip gestaltet werden. In einem empirischen Vergleich werden zwei Gruppen von europäischen Ländern gegenübergestellt, die jeweils einem dieser Prinzipien folgen. Es zeigt sich, dass Länder, die das Versorgungsprinzip anwenden, im Durchschnitt einen deutlich größeren Teil ihrer Studierenden mit öffentlicher Unterstützung versorgen und die öffentliche Unterstützung einen größeren Anteil an den Gesamteinnahmen der Empfänger:innen ausmacht. Die Studierenden in diesen Ländern berichten seltener über (sehr) große finanzielle Schwierigkeiten. In Bezug auf die Teilhabegerechtigkeit schneiden die Länder, die das Versorgungsprinzip anwenden, jedoch geringfügig schlechter ab als die Länder der Vergleichsgruppe.
Exploring and Expanding Supererogatory Acts: Beyond Duty for a Sustainable Future
Authors: White Gareth R. T. , Samuel Anthony , Thomas Robert J.
Published: June 2022

Supererogation has gained attention as a means of explaining the voluntary behaviours of individuals and organizations that are done for the benefit of others and which go above what is required of legislation and what may be expected by society. Whilst the emerging literature has made some significant headway in exploring supererogation as an ethical lens for the study of business there remain several important issues that require attention. These comprise, the lack of primary evidence upon which such examinations have been made, attention has been given to only singular pro-social acts of organizations, and the focus has been upon the actions of large organizations. Furthermore, Heyd’s (Supererogation, Cambridge University Press, 1982) original taxonomy of six supererogatory acts, comprising Moral Heroism, Beneficence, Volunteering, Favour, Forgiveness and Forbearance, has been considered to be complete and other forms of supererogatory acts have not yet been explored. In order to address these gaps this study poses the research questions: First, it studies how a single, contemporary SME performs multiple supererogatory acts in its attempts to address its social and environmental goals that go beyond CSR. Second, it seeks to gain a deeper theoretical understanding of Heyd’s (Supererogation, Cambridge University Press, 1982) taxonomy of six forms of supererogation through the capture of primary data. This research makes a three-year case study examination of a single SME that has been formally recognized for its work in addressing social and environmental issues at local, national and global levels. Primary data are acquired of the supererogatory acts that it performs through a three-year participant observation case study, utilizing 61 interviews and 3 focus groups with internal and external stakeholders. In doing so, it addresses the empirical limitations of the extant research, substantiates each of the forms that supererogatory acts may take, and makes a contribution to the theory of supererogation by identifying a further class of act that is ‘Sharing’.
Connections Between Numerical Algorithms for PDEs and Neural Networks
Authors: Alt Tobias , Schrader Karl , Augustin Matthias , Peter Pascal , Weickert Joachim
Published: June 2022

We investigate numerous structural connections between numerical algorithms for partial differential equations (PDEs) and neural architectures. Our goal is to transfer the rich set of mathematical foundations from the world of PDEs to neural networks. Besides structural insights, we provide concrete examples and experimental evaluations of the resulting architectures. Using the example of generalised nonlinear diffusion in 1D, we consider explicit schemes, acceleration strategies thereof, implicit schemes, and multigrid approaches. We connect these concepts to residual networks, recurrent neural networks, and U-net architectures. Our findings inspire a symmetric residual network design with provable stability guarantees and justify the effectiveness of skip connections in neural networks from a numerical perspective. Moreover, we present U-net architectures that implement multigrid techniques for learning efficient solutions of partial differential equation models, and motivate uncommon design choices such as trainable nonmonotone activation functions. Experimental evaluations show that the proposed architectures save half of the trainable parameters and can thus outperform standard ones with the same model complexity. Our considerations serve as a basis for explaining the success of popular neural architectures and provide a blueprint for developing new mathematically well-founded neural building blocks.
Modelling Authenticity in Science Education
Authors: Schriebl Daniela , Müller Andreas , Robin Nicolas
Published: June 2022

The terms ‘authenticity’ and ‘authentic’ have been used increasingly frequently in educational contexts over the past decades. In science education, authenticity is claimed to be a crucial concept, inter alia, for students’ motivation and interest in science. However, both terms are used, defined and conceptualised in various and ambiguous ways. So far, however, a model to integrate and structure the various conceptualisations, definitions and findings with their implementation in a teaching context is lacking. In this contribution, we introduce such a model, coherently integrating a broad range of work done by previous authors. Meanwhile, the model is flexible enough for future extensions and refinements. As many authors have shown, the concept of authenticity is multidimensional. In the present contribution, we therefore introduce a multidimensional model, explaining each dimension with reference to previous work on authenticity before integrating them as the complete model. We will outline a tool for practitioners and researchers which is based on the introduced model.
A combined IR and XRD study of natural well crystalline goethites (α-FeOOH)
Authors: Kaufhold Stephan , Ufer Kristian , Hein Melanie , Götze Niko , Dohrmann Reiner
Published: June 2022

Goethite (α-FeOOH) is one of the most abundant minerals on the Earth surface, occurring in temperate, tropical and equatorial climates. Fe in goethite can be substituted by many cations such as Al, Ni for instance. A large amount of research has been conducted on the effect of varying elemental compositions (mainly Al-content) on the spectral features of goethites with most of the studies based on materials synthesized with different elemental ratios. The different elemental ratios, however, may not only affect the composition of the products but also their crystallinity and/or particle size and shape. Both parameters are known to affect results of both X-ray diffraction (XRD) and infrared spectroscopy (IR). These methods are predominantely used to characterize goethites. In the present study, therefore, a significant set of natural goethites was considered in order to investigate the effect of elemental composition on XRD and IR results. The focus was on crystallised samples which had a limited chemical variability but artefacts caused by the presence of admixtures could be excluded in most cases. First of all Rietveld refinement was optimized based on varying different parameters. A fairly good correlation of Rietveld derived crystallite sizes and specific surface area determined by N2-adsorption (SSA) was found which proves the importance of considering the crystallite size parameters for Rietveld refinement and at the same times proves the quality of it. Using IR spectroscopy yet published relations of band position and Al-content could be confirmed despite the fact that the range of Al-contents was small. However, the band position of the Fe–O stretching, previously used as proxy for crystallinity assessment, was found to be least variable hence contradicting yet published results. Controversial results were also published for the effect of the Al-content on the position of the asymmetric FeOH stretching band at 450 cm−1. The goethites investigated in the present study indicate that the crystallite size determines the band position rather than the Al-content which is at least valid for the limited range of Al-contents. The results of the present study indicate that using synthetic sample sets bears the problem that more than one parameter might show systematic differences (e.g. crystallite size in a set of chemically varied goethites). The paper, therefore, provides IR reference data based on a set of natural well crystallised goethites.
Internal mammary lymph node metastasis in breast cancer patients based on anatomical imaging and functional imaging
Authors: Wang Wei , Qiu Pengfei , Li Jianbin
Published: June 2022

Internal mammary lymph node (IMLN) metastasis forms part of the clinical node classification for primary breast cancer, which influences the treatment strategy. However, because of the IMLNs’ complicated anatomical structures and relationships with adjacent structures, IMLN biopsy or resection is associated with a limited improvement in prognosis and a high complication rate. The positivity rate also varies broadly according to imaging modality, and there is a low rate of agreement between the imaging and pathological diagnoses, which creates imprecision in the preoperative staging. The IMLN positivity rate also varies remarkably, and there are no clear, accurate, and non-invasive modalities for diagnosing the pre-mastectomy IMLN status. Nevertheless, medical imaging modalities continue to evolve, with functional imaging and image-guided thoracoscopic biopsy of sentinel IMLNs being well established. Thus, personalized decision-making and treatment selection should be based on the modality-specific differences in the diagnosis of IMLN metastasis/recurrence and the patient’s specific risk factors.
A Cold Plasma Technology for Ensuring the Microbiological Safety and Quality of Foods
Authors: Nwabor Ozioma Forstinus , Onyeaka Helen , Miri Taghi , Obileke Kechrist , Anumudu Christian , Hart Abarasi
Published: June 2022

Changing consumers’ taste for chemical and thermally processed food and preference for perceived healthier minimally processed alternatives is a challenge to food industry. At present, several technologies have found usefulness as choice methods for ensuring that processed food remains unaltered while guaranteeing maximum safety and protection of consumers. However, the effectiveness of most green technology is limited due to the formation of resistant spores by certain foodborne microorganisms and the production of toxins. Cold plasma, a recent technology, has shown commendable superiority at both spore inactivation and enzymes and toxin deactivation. However, the exact mechanism behind the efficiency of cold plasma has remained unclear. In order to further optimize and apply cold plasma treatment in food processing, it is crucial to understand these mechanisms and possible factors that might limit or enhance their effectiveness and outcomes. As a novel non-thermal technology, cold plasma has emerged as a means to ensure the microbiological safety of food. Furthermore, this review presents the different design configurations for cold plasma applications, analysis the mechanisms of microbial spore and biofilm inactivation, and examines the impact of cold plasma on food compositional, organoleptic, and nutritional quality.
CFD Analysis of Co-firing of Coke and Biomass in a Parallel Flow Regenerative Lime Kiln
Authors: Arévalo Roberto , Rezeau Adeline , Herce Carlos
Published: June 2022

The lime industry is a highly energy intensive industry, with a huge presence worldwide. To reduce both production costs and pollutants emissions, some lime production plants are introducing more environmentally-friendly energy sources, such as local agro-industry residues. In this paper, a numerical tool is presented, which simulates a large-scale Parallel Flow Regenerative (PFR) kiln that currently uses coke as main fuel. The developed tool aims at investigating the combustion process under conditions of co-firing of coke and biomass and to assist the plant operators in the optimization of such operating conditions. To achieve this goal, a two-way coupling Euler–Lagrange approach is used to model the dynamics of the particulate phase and their interaction with the gas phase. Pyrolysis, volatiles oxidation and char oxidation are modelled by kinetics/diffusion-limited model (for heterogeneous reactions) and mixture fraction approach (for homogeneous reactions). Moreover, two methods are investigated for representing the limestone bed: a porous medium (PM) approach and a “solid blocks” (BM) tridimensional mesh. Comparison of the results for the case of 100% coke showed that the ideal “blocks” method is more accurate as it adequately simulates the scattering of fuel particles through the PFR kiln anchor, which is limited with the PM approach. Moreover, the temperature profile, maximum and minimum temperatures, as well as CO2 and O2 concentrations at outlet, are comprised in the expected range for this technology, according to available literature. Finally, the predicted results of a co-firing case with 60% biomass (in mass) were validated with measurements in an industrial facility, with production capacity of 440 calcium oxide tons per day. The results suggest that the model is fairly accurate to predict gas temperature, as well as O2 and NOX concentrations at the kiln outlet. Although some improvements are recommended to refine the CFD predictions, these promising results and the high computational efficiency laid the foundation for future modelling of co-firing of coke and biomass, as well as the modelling of the lime calcination process. It also paves the way for facilitating the reduction of pollutant emissions thus contributing to a more sustainable lime production.

Graphical Abstract
Experimental investigation of the effects of temperature on the morphological characteristics of geopolymer binders
Authors: Suppiah Raja Rajeswary , Nermoggan Pavithra , Shafiq Nasir
Published: June 2022

Since the beginning of this century, assessment of the environmental impacts and the global warming potential of industrial practices and technologies are on the top agenda. Therefore, many construction materials such as cement systems are being designed for reducing the environmental impacts and greenhouse gas emissions. For that purpose, the petroleum industry is also striving for developing environmentally friendly cementing systems for oil well application; for example, a better alternative to the class-G cement, which is consumed in a tremendous amount worldwide. In finding the greener alternative to class-G cement, geopolymer binders are being researched for possible applications for oil-well cementing jobs. This paper presents the experimental investigation of the effects of temperature on the morphological characteristics of geopolymer binders. For that purpose, sodium silicate and sodium hydroxide were used as the alkaline activator with fly ash as the precursor. Fifteen samples were prepared with a density of 10, 11, 13, 15 and 17 ppg (3 samples for each value of density). The samples were subjected to a temperature of 30, 60, and 90 °C and cured in a water bath for 24 h. Morphological and microstructural characteristics were analyzed using XRD and FESEM. In an overview, increases in temperature significantly impact the geopolymerization process where the microstructure in geopolymer cement produces more reacted particles, which results in excellent mechanical strength. Generally, the strength of geopolymers is associated with the fly ash dissolution FESEM image for 17 ppg mixture cured at 90 °C clearly shows that it underwent extensive geopolymerization with the formation of continuous alumino-silicate gel and almost entirely reacted fly ash particles, resulting in relatively dense geopolymer matrix.
How to quantify the impacts of diversification on sustainability? A review of indicators in coffee systems
Authors: Teixeira Heitor Mancini , Schulte Rogier P. O. , Anten Niels P. R. , Bosco Leosane C. , Baartman Jantiene E. M. , Moinet Gabriel Y. K. , Reidsma Pytrik
Published: June 2022

Despite the potential of diversification strategies to achieve sustainability, diversified systems such as agroforestry are still not widely implemented by farmers, which indicates the need to further understand and adequately assess the impacts of diversification to inform the design of complex systems. In this paper, we conduct a systematic literature review focused on agroforestry coffee systems, to assess (i) how current methods and indicators are used to quantify the impact of diversification on multiple dimensions of system sustainability, and (ii) to assess the impact of diversification through coffee agroforestry on multiple dimensions of sustainability. Our analysis was based on 215 selected papers and all the indicators identified could be classified in one of the sustainability dimensions proposed in our framework: ecosystem services (57.2%), biodiversity (35.6%), input use (4%), socio-economic sustainability (2.7%) and resilience capacity (0.5%). Despite the broad scope of the indicators, individual studies were found to often lack interdisciplinarity and a systemic view on agroecosystems. Besides, not only were there few studies that included the impacts of diversification on input use, socio-economic sustainability and resilience capacity, but specific biodiversity attributes (e.g. functional diversity, landscape diversity) and ecosystem services (e.g. soil biological quality, water regulation, pollination) were generally underreported. The impact of diversification was more positive than negative in all dimensions of sustainability, with the exception of crop productivity. Yet, diversified systems are associated with reduced costs and high yields can still be achieved in diversified systems with appropriate agricultural management (e.g. adequate number and type of shade trees). Key to reaping the benefits of diversified systems is that the diversity of elements is carefully integrated considering the impact on multiple dimensions of system sustainability. A better understanding of synergies and trade-offs remains crucial for the customized design of diverse and sustainable systems for a variety of geo-climatic conditions.
Maize grain yield responses to realistic biochar application rates on smallholder farms in Kenya
Authors: Kätterer Thomas , Roobroeck Dries , Kimutai Geoffrey , Karltun Erik , Nyberg Gert , Sundberg Cecilia , de Nowina Kristina Röing
Published: June 2022

Despite efforts to increase agricultural production sustainably in sub-Saharan Africa, large gaps remain between actual and potential yield of food crops. Adding biochar to degraded cropland soils in the African tropics has significant potential to enhance crop productivity. Biochar-based farming can also mitigate climate change, through soil carbon storage. This study involved six smallholder farms at sites in eastern, central, and western Kenya that are characterized by different pedo-climatic conditions. We examined the response of non-fertilized and fertilized maize monoculture to three dosages of biochar that are realistic for domestic production by farmers at each of the sites over four growing seasons. Commonly available biomass wastes in each agro-ecosystem (coconut shells, coffee husks, maize cobs) were used as feedstock for biochar, which was applied at 1, 5, and 10 Mg ha−1 at the start of the experiment. Across seasons and fertilizer treatments, maize grain yield (dry matter) showed consistently positive responses, with an average increase of 1.0, 2.6, and 4.0 Mg ha−1, respectively, above the control for the three biochar application rates. Absolute responses of maize grain yield to specific biochar doses were similar across the four investigated seasons and replicate farms within sites, and uncorrelated to yield levels in the control treatment. Here, we show for the first time that yield response to biochar decreased with increasing application rate, indicating that it may be better to spread a given amount of biochar over a large area rather than concentrating it to a smaller area, at least when biochar is applied along plant rows at rates ≥1 Mg ha−1, as in our experiment. This study demonstrated that application of biochar, locally produced from available biomass residues, is a promising approach to enhance agricultural production and carbon storage on smallholder farms under a wide range of pedo-climatic conditions in Kenya.
Transfinite diameter on the graph of a polynomial mapping and the DeMarco–Rumely formula
Authors: Ma‘u Sione
Published: June 2022

We study Chebyshev constants and transfinite diameter on the graph of a polynomial mapping $$f:{{\mathbb {C}}}^2\rightarrow {{\mathbb {C}}}^2$$

f
:

C

2

→

C

2

. We show that two transfinite diameters of a compact subset of the graph (i.e., defined with respect to two different collections of monomials) are equal when the set has a certain symmetry. As a consequence, we give a new proof in $${{\mathbb {C}}}^2$$

C

2

of a pullback formula for transfinite diameter due to DeMarco and Rumely that involves a homogeneous resultant.
The association between frailty risk and COVID-19-associated all-mortality in hospitalised older people: a national cohort study
Authors: Maynou Laia , Owen Rhiannon , Konstant-Hambling Rob , Imam Towhid , Arkill Suzanne , Bertfield Deborah , Street Andrew , Abrams Keith R. , Conroy Simon
Published: June 2022

Introduction

Frailty has emerged as an important construct to support clinical decision-making during the COVID-19 pandemic. However, doubts remain related to methodological limitations of published studies.

Methods

Retrospective cohort study of all people aged 75 + admitted to hospital in England between 1 March 2020 and 31 July 2021. COVID-19 and frailty risk were captured using International Classification of Disease-10 (ICD-10) diagnostic codes. We used the generalised gamma model to estimate accelerated failure time, reporting unadjusted and adjusted results.

Results

The cohort comprised 103,561 individuals, mean age 84.1, around half female, 82% were White British with a median of two comorbidities. Frailty risk was distributed approximately 20% low risk and 40% each at intermediate or high risk. In the unadjusted survival plots, 28-day mortality was almost 50% for those with an ICD-10 code of U071 (COVID-19 virus identified), and 25–35% for those with U072 (COVID-19 virus not identified). In the adjusted analysis, the accelerated failure time estimates for those with intermediate and high frailty risk were 0.63 (95% CI 0.58–0.68) and 0.67 (95% CI 0.62–0.72) fewer days alive respectively compared to those with low frailty risk with an ICD-10 diagnosis of U072 (reference category).

Conclusion

In older people with confirmed COVID-19, both intermediate and high frailty risk were associated with reduced survival compared to those with low frailty risk.
What is built and what is taught: The difference between teaching and professional practice in building structures
Authors: Olmedo Carlos , Calle Alejandro , Antuña Joaquín
Published: June 2022

The authors show the great difference that exists between structural solutions that are taught and that students have to resolve to obtain the qualification of Architect and the constructive and structural solutions that are common in professional practice in Spain. A database of structural solutions used in master’s degree projects for professional qualification and their results was therefore prepared and compared with existing statistical construction data. It can be deduced from this data that there is a discrepancy between students’ proposals and usual practice, in structural types as well as in terms of size, materials and building category.
Palliative Care in the Intensive Care Unit: Not Just End-of-life Care
Authors: Pan Hongyan , Shi Weihua , Zhou Qilong , Chen Guofeng , Pan Pengfei
Published: June 2022

Initially, palliative care in the intensive care unit (ICU) was designed to improve hospice care. Today it has emerged as a core component of ICU care. ICU palliative care should follow the ethical principles of autonomy, beneficence, nonmaleficence, justice and fidelity. To integrate primary palliative care and professional palliative care into ICU care management, there are different modes: integrative, consultative, and a combined approach. All ICU patients should receive palliative care which includes symptom management and shared decision-making. Further research is needed to explore how to provide the best palliative care for ICU patients and their families.
B.6 Endovascular treatment of acute ischemic stroke in patients with pre-morbid disability: a meta-analysis
Authors: Bala F , Beland B , Mistry E , Almekhlafi M , Goyal M , Ganesh A
Published: June 2022

Background: Trials of endovascular thrombectomy (EVT) for acute stroke have excluded patients with pre-morbid disability. We performed a meta-analysis to assess the effectiveness and safety of EVT in patients with pre-morbid disability. Methods: According to PRISMA guidelines, we searched for studies describing outcomes in patients with pre-morbid disability (modified Rankin Scale [mRS] 2-5), treated with EVT or medical management (MM). Random-effects meta-analysis was used to pool outcomes including return to baseline mRS at 90 days, symptomatic ICH (sICH), and 90-day mortality. Results: We analyzed 14 studies of patients with pre-morbid disability (mRS2-5: EVT=1,373, MM=253). Compared to medical therapy, EVT was associated with higher likelihood of return to baseline mRS (OR=2.37, 95%CI:1.39-4.04) and a trend towards lower mortality (OR=0.68, 95%CI:0.46-1.02), with similar odds of sICH (OR 1.01, 95%CI:0.49-2.08). In studies comparing patients with vs. without pre-morbid disability treated with EVT, similar results were found except that pre-morbid disability, when defined more strictly as mRS 3-5, was associated with mortality (OR 3.49, p<0.001). Conclusions: In patients with pre-morbid disability, EVT carries a higher chance of return to baseline mRS compared to patients treated with MM or without pre-morbid disability, although with higher mortality than patients without pre-morbid disability. These findings merit validation with randomized controlled trials.
C.2 Muscular MRI pattern recognition for muscular dystrophies: the era of artificial intelligence beyond a systematic review
Authors: Alawneh I , Gonorazky H , Alawnah S
Published: June 2022

Background: Genetic neuromuscular diseases (NMD) are a heterogeneous group of disorders comprised hundreds of genes. Despite the advanced genetic testing modalities, about 40 % of patients with NMD do not have a diagnosis. Muscle MRI has been proven as a useful tool to orientate the genetic testing by looking at the muscle involvement severity pattern. Moreover, muscle MRI patterns can be specific and informative for muscular dystrophies and yet can be characteristic and diagnostic. Methods: Systematic review was conducted to review muscle MRI patters for all Limb Girdle Muscle Dystrophies (LGMD). Then, we applied artificial intelligence (AI) on muscle MRI patterns for LGMDs and other NMDs using open database containing muscle MRIs Mercuri scores from 950 individuals. Results: AI and machine learning were applied on 10 types of NMD muscle MRI Mercuri scores that represented muscle involvement based on the degree of fatty infiltration. Different models were generated, the one with highest accuracy was used. When tested on new patients, it achieved a 90% accuracy. Subsequently, was turned into a mobile application. Conclusions: Muscle MRI is a valuable tool to help in NMD diagnosis. Specific muscle involvement pattern can be predictive. Besides, AI facilitates the interpretation and comprehension of muscle imagining in NMD.