bluuebunny/crossref_metadata_2025 huggingface dataset:
Isomeric effects in structure formation and dielectric dynamics of different octanols
Authors: Bolle Jennifer , Bierwirth S. Peter , Požar Martina , Perera Aurélien , Paulus Michael , Münzner Philipp , Albers Christian , Dogan Susanne , Elbers Mirko , Sakrowski Robin , Surmeier Göran , Böhmer Roland , Tolan Metin , Sternemann Christian
Published: October 2021

The microstructure of associated liquids promoted by hydrogen bonding is strongly constrained by charge order and steric hindrance which is demonstrated for the case of linear and branched octanols.
Asymmetric carrier transport and weak localization in few layer graphene grown directly on a dielectric substrate
Authors: Abbas Muhammad Sabbtain , Srivastava Pawan Kumar , Hassan Yasir , Lee Changgu
Published: October 2021

Temperature dependent electrical/magneto-transport measurements on few layer graphene grown directly onto dielectric substrates reveal weak localization, charge carrier asymmetry and phonon limited carrier mobility.
Effects of substituent position on aminobenzoate relaxation pathways in solution
Authors: Rodrigues Natércia d. N. , Woolley Jack M. , Krokidi Konstantina M. , Tesa-Serrate Maria A. , Turner Matthew A. P. , Hine Nicholas D. M. , Stavros Vasilios G.
Published: October 2021

Transient absorption spectroscopy reveals the excited state dynamics of meta- and para-methyl anthranilate in solution. Implicit solvent computational methods insufficiently model these systems's behaviour, implying the need for explicit solvent models.
Catalytic hydrogenation of CO2 with unsymmetric N-heterocyclic carbene–nitrogen–phosphine ruthenium complexes
Authors: Ji Li , Cui Tianhua , Nie Xufeng , Zheng Yanling , Zheng Xueli , Fu Haiyan , Yuan Maolin , Chen Hua , Xu Jiaqi , Li Ruixiang
Published: October 2021

Unsymmetric Ru-CNP and Ru-CN(H)P complexes are synthesized and applied in the hydrogenation of CO2 to formate for the first time.
Retraction: Highly monodisperse Pt(0)@AC NPs as highly efficient and reusable catalysts: the effect of the surfactant on their catalytic activities in room temperature dehydrocoupling of DMAB
Authors: Southall Maria
Published: October 2021

Retraction of ‘Highly monodisperse Pt(0)@AC NPs as highly efficient and reusable catalysts: the effect of the surfactant on their catalytic activities in room temperature dehydrocoupling of DMAB’ by Betül Çelik et al., Catal. Sci. Technol., 2016, 6, 1685–1692, DOI: 10.1039/C5CY01371B.
Retraction: Bimetallic platinum–rhodium nanocomposites for dimethylamine borane dehydrogenation: an experimental and density functional theory study
Authors: Acidereli Hilal , Fellah Mehmet Ferdi
Published: October 2021

Retraction for ‘Bimetallic platinum–rhodium nanocomposites for dimethylamine borane dehydrogenation: an experimental and density functional theory study’ by Oznur Alptekin et al., Catal. Sci. Technol., 2020, 10, 4624–4634, DOI: 10.1039/D0CY00641F.
Same ligand, three first-row metals: comparing M-amido bifunctional reactivity (Mn, Fe, Co)
Authors: Elsby Matthew R. , Kim Scott Y. H. , Steinmann Stephan N. , Baker R. Tom
Published: October 2021

Three analogous M(SNS)2 complexes with bifunctional amido donors were used to compare reactivity across the base metals (M = Mn, Fe, Co). Experimental studies support DFT findings in which only the Mn complex can facilitate bifunctional H2 activation.
Inclusion of multiple cycling of potential in the deep neural network classification of voltammetric reaction mechanisms
Authors: Gundry Luke , Kennedy Gareth , Bond Alan M. , Zhang Jie
Published: October 2021

Deep neural networks applied to three cycle voltammograms showed significant advantages in classifying difficult simulated E, EC1st and EC2nd processes.
The positive effects and underlying mechanisms of Undaria pinnatifida polysaccharides on type 2 diabetes mellitus in rats
Authors: Li Zhao-Rong , Jia Rui-Bo , Luo Donghui , Lin Lianzhu , Zheng Qianwen , Zhao Mouming
Published: October 2021

The aim of the current work was to investigate the anti-diabetic effects and underlying mechanisms of Undaria pinnatifida polysaccharides (UPP) based on a type 2 diabetes (T2DM) rat model.
Alleviation of cognitive impairment by gut microbiota lipopolysaccharide production-suppressing Lactobacillus plantarum and Bifidobacterium longum in mice
Authors: Lee Dong-Yun , Shin Yoon-Jung , Kim Jeon-Kyung , Jang Hyo-Min , Joo Min-Kyung , Kim Dong-Hyun
Published: October 2021

Lactobacillus plantarum NK151 and Bifidobacterium longum NK173 alleviate stressor-induced cognitive impairment in colitis by upregulating NF-KB-mediated BDNF expression through the suppression of fecal and blood bacterial LPS levels.
Progress in marine derived renewable functional materials and biochar for sustainable water purification
Authors: Manohara Halanur M. , Nayak Sooraj S. , Franklin Gregory , Nataraj Sanna Kotrappanavar , Mondal Dibyendu
Published: October 2021

This review sheds light on various marine-based sustainble resources used to develop high-performance materials for water purification technologies.
Rapid conversion of CO2 and propylene oxide into propylene carbonate over acetic acid/KI under relatively mild conditions
Authors: Wang Yajun , Shen Yehua , Wang Zheng
Published: October 2021

The catalytic system of acetic acid/KI was studied to demonstrate high activity for completely converting propylene oxide into propylene carbonate within a quite short time of 15 min under the relatively mild conditions of 0.9 MPa CO2 and 90 °C.
Interface engineering triggered by carbon nanotube-supported multiple sulfides for boosting oxygen evolution
Authors: Chen Ming , Hu Yiping , Liang Kun , Zhao Ziming , Luo Yutong , Luo Sha , Ma Jiantai
Published: October 2021

In this study, the catalyst (S-CoFe/CNTs) shows only 258 mV overpotential (vs.RHE) at the current density of 10 mA cm−2, indicating it has excellent OER electrocatalytic performance in alkaline solutions.
Carbon tetrachloride-free allylic halogenation-mediated glycosylations of allyl glycosides
Authors: Das Anupama , Jayaraman Narayanaswamy
Published: October 2021

A one-pot CCl4-free allylic halide activation of allyl glycosides, followed by glycosylation with acceptors, is conducted in a latent-active manner. PhCF3 as the solvent and TMSOTf/Tf2O as the promoter system are optimal for the reaction.
Molecular cages for biological applications
Authors: Tapia Lucía , Alfonso Ignacio , Solà Jordi
Published: October 2021

This review compiles selected relevant examples of synthetic receptors defining a closed three-dimensional cavity (cages) with applications in chemical biology and biomedicine.
Large polarization and record-high performance of energy storage induced by a phase change in organic molecular crystals
Authors: Horiuchi Sachio , Ishibashi Shoji
Published: October 2021

Electric-field induced phase changes, which are promising for use in high-power electrical energy storage, can be realized in a series of organic dielectrics by flipping the antipolar or canted electric dipoles via proton transfer.
Attaining record-high magnetic exchange, magnetic anisotropy and blocking barriers in dilanthanofullerenes
Authors: Dey Sourav , Rajaraman Gopalan
Published: October 2021

Using ab initio calculations, we have made some robust predictions towards lanthanofullerene SMMs exhibiting remarkable characteristics.
Construction of self-supported bimetallic MOF-mediated hollow and porous tri-metallic selenide nanosheet arrays as battery-type electrodes for high-performance asymmetric supercapacitors
Authors: Acharya Jiwan , Ojha Gunendra Prasad , Pant Bishweshwar , Park Mira
Published: October 2021

Architecting the highly conductive polyphase transition metal selenide with a carbonaceous nanostructure onto a 3D substrate has been acknowledging the appealing task for the development of auspicious electrode materials for energy storage devices.
Surface and interface engineering of hollow carbon sphere-based electrocatalysts for the oxygen reduction reaction
Authors: Zhang Chunmei , Li Jingsha , Li Changming , Chen Wei , Guo Chunxian
Published: October 2021

Recent developments of hollow carbon sphere-based materials as efficient electrocatalysts for the oxygen reduction reaction (ORR) are summarized, particularly focusing on surface and interface engineering strategies that greatly enhance ORR performance.
The same molecule but a different molecular conformation results in a different room temperature phosphorescence in phenothiazine derivatives
Authors: Gao Mingxue , Tian Yu , Yang Jie , Li Xiaoning , Fang Manman , Li Zhen
Published: October 2021

An exciting conformation-dependent room temperature phosphorescence (RTP) was observed for phenothiazine derivatives, that is, the luminogens with quasi-axial (ax) conformation showed RTP effect while the quasi-equatorial (eq) ones did not.
Single-molecule conductance variations of up to four orders of magnitude via contacting electrodes with different anchoring sites
Authors: Zhu Zhiyu , Qu Hang , Chen Yaorong , Zhang Chengyang , Li Ruihao , Zhao Yi , Zhou Yu , Chen Zhixin , Liu Junyang , Xiao Zongyuan , Hong Wenjing
Published: October 2021

Control of conductance through a single molecule via alternating anchoring points provides a unique perspective to design single-molecule electronic devices.
Pressure-induced emission enhancement by restricting chemical bond vibration
Authors: Fu Zhiyuan , Liu Haichao , Zhao Jingyi , Zhang Xiangyu , Zheng Xiaoyan , Yang Bing , Yang Xinyi , Wang Kai , Zou Bo
Published: October 2021

The effect of intermolecular interactions on intramolecular chemical bonds vibration and luminescence was analyzed. Enhanced intermolecular hydrogen bonds under high pressure suppresses the non-radiative process and result in emission enhancement.
Résilience du secteur alimentaire face à la crise Covid-19 et perspectives pour les politiques agricoles en République du Congo
Authors: Bitsoumanou Nkounkou Junior , Temple Ludovic
Published: October 2021

La crise économique et sanitaire due à la Covid-19 interpelle les trajectoires de reconfiguration des systèmes alimentaires en République du Congo. Elle questionne la capacité des mesures de régulation prises par les pouvoirs publics et des stratégies d’adaptation des acteurs à induire des inflexions dans la gouvernance structurelle du système alimentaire du pays. L’article analyse les stratégies d’adaptation à la crise en mobilisant des données secondaires et des expériences d’accompagnement de politiques publiques agricoles et alimentaires conduites par les auteurs. Au Congo, le secteur alimentaire reste tributaire des importations et repose sur une agriculture vivrière extensive. Pour gérer la pandémie, un confinement général « flexible » de la population a été appliqué. Les achats de panique, la réduction de la durée d’activité des marchés et la hausse temporaire des prix des produits alimentaires ont révélé les fragilités du secteur, liées à sa dépendance aux marchés internationaux. La crise a cependant confirmé la capacité d’innovation collective du secteur informel. Elle réhabilite la reconnaissance d’une agriculture de proximité, source d’emplois pour des populations vulnérables. Elle interpelle la conception de politiques agricoles et alimentaires futures au regard d’enjeux d’intégration des risques sanitaires, alimentaires et sociaux, dans le contexte du bassin forestier du Congo, qui est exposé à des risques de résurgence de zoonoses existantes et d’arrivée de maladies émergentes.
Impact of trellis systems and rootstocks on global phenolic composition and antioxidant activity of ‘Isabel Precoce’ grapes produced during rainy seasons in semi-arid region of Brazil
Authors: da Costa Rayssa R. , Ferreira Talita de O. , Felix Débora T. , de Lima Maria A.C.
Published: October 2021

Crop components, such as trellis systems, might affect solar radiation uptake by grapevines while others, such as rootstocks, influence the vigor of the scion. Proper management provides a suitable reproductive and vegetative balance that could influence the chemical composition of grapes. This study aimed to characterize the global phenolic composition and antioxidant activity of ‘Isabel Precoce’ grapes raised for juice, growing under different trellis systems and rootstocks, in rainy seasons, in semi-Arid conditions in Brazil. With a randomized block experimental design and split-split plots over time, the overhead trellis, lyre, and vertical shoot positioning systems and two rootstocks (‘IAC 572’ and ‘IAC 766’) in the harvest seasons of January-May, 2017 and January-May, 2018 were studied. Trellis systems, rootstocks, harvest seasons and their interactions affected the characteristics of the grapes. The treatments with equivalent responses in the seasons defined the specific characteristics of the grapes. The rootstock ‘IAC 766’ provided greater bunch weight and lower acidity to the ‘Isabel Precoce’ grapes, while ‘IAC 572’ induced higher soluble solids contents. In both seasons, there was lower variation in berry resistance to compression and polyphenol and anthocyanin contents in grapes from grapevines grown on an overhead trellis. In turn, the use of lyre provided high antioxidant activity by the ABTS●+ method in 2018. The highest antioxidant activity by the DPPH● method was due to the association of overhead trellis and ‘IAC 766’. With the use of the overhead trellis, equivalent phenolic compounds and antioxidant activity during the seasons resulted in a uniform quality.
Finite element methods for the Darcy-Forchheimer problem coupled with the convection-diffusion-reaction problem
Authors: Sayah Toni , Semaan Georges , Triki Faouzi
Published: October 2021

In this article, we consider the convection-diffusion-reaction problem coupled the Darcy-Forchheimer problem by a non-linear external force depending on the concentration. We establish existence of a solution by using a Galerkin method and we prove uniqueness. We introduce and analyse a numerical scheme based on the finite element method. An optimal a priori error estimate is then derived for each numerical scheme. Numerical investigation are performed to confirm the theoretical accuracy of the discretization.
Kreativität und psychische Störung
Authors: Juckel Georg , Mavrogiorgou Paraskevi
Published: October 2021

Kreativität ist ein wichtiges menschliches Ausdrucksmittel. Der Zusammenhang zwischen Kreativität und psychischer Krankheit wurde immer wieder thematisiert, fand ihren Niederschlag z. B. in der Sammlung Prinzhorn oder in Gugging, wurde aber nur selten systematisch untersucht. Neuere epidemiologische und genetische Befunde deuten darauf hin, dass zwischen bipolaren und schizophrenen Erkrankungen und kreativem Ausdrucksbestreben, d. h. dem Bedürfnis des einzelnen Betroffenen sich literarisch, musikalisch oder künstlerisch auszudrücken, ein engerer Zusammenhang besteht. Daher erscheint es verstärkt sinnvoll zu sein, Patienten insbesondere mit diesen Störungsbildern bzgl. Kunst und künstlerischen Tätigkeiten gezielt anzuregen und zu fördern.
Targeted Removal of Axillary Lymph Nodes After Carbon Marking in Patients with Breast Cancer Treated with Primary Chemotherapy
Authors: Hartmann Steffi , Stachs Angrit , Kühn Thorsten , de Boniface Jana , Banys-Paluchowski Maggie , Reimer Toralf
Published: October 2021

In breast cancer patients who have received primary chemotherapy and then no longer have any suspicious lymph nodes clinically and/or on imaging, marking of initially suspicious axillary lymph nodes with targeted removal has recently been discussed and practised both in Germany and internationally as an alternative to complete axillary lymph node dissection. Tattooing of the suspicious lymph nodes with a highly purified carbon suspension is currently being investigated in clinical studies. Compared with other techniques, the advantages of this method are the high rate of intraoperative lymph node detection, avoidance of an immediately preoperative localisation procedure and the low costs. The practical aspects of lymph node tattooing and the current data regarding this method will be described.
AGO Algorithms for the Treatment of Breast Cancer: Update 2021
Authors: Schneeweiss Andreas , Fasching Peter A. , Fehm Tanja , Gerber Bernd , Jackisch Christian , Loibl Sibylle , Schmidt Marcus , Stickeler Elmar , Wöckel Achim , Janni Wolfgang , Müller Volkmar ,   on behalf of the AGO Kommission Mamma
Published: October 2021

Therapy options shown in the algorithms are based on the current AGO recommendations, but cannot represent all evidence-based treatment options, since prior therapies, performance status, comorbidities, patient preference, etc. must be taken into account for the actual treatment choice. In individual cases, other evidence-based treatment options may also be appropriate and justified. Regardless of approval status, the algorithms only take into account drugs that were available in Germany at the time the algorithm was last updated. Here we present the 2021 update of AGO treatment algorithms for early and metastatic breast cancer, which are intended to intensify structured treatment decision by providing reproducible and evidence-based treatment paths and may be helpful for a broad treatment landscape.
Psychotherapeutische Angehörigenarbeit bei Parkinson-Patienten
Authors: Tucha Stefanie , Leplow Bernd
Published: October 2021

Mit diesem Artikel wird die besondere Belastungssituation der Angehörigen von Parkinson-Patienten mit ihren entsprechenden Interaktionsproblemen dargestellt und auf die psychischen bzw. psychosomatischen Folgen eingegangen, die diese sekundär entwickeln können. Des Weiteren werden typische „Angehörigen-Charaktere“ beschrieben und ein Überblick über entsprechende Interventionsmöglichkeiten im Einzel- bzw. Gruppensetting dargestellt. Ein Fallbeispiel sowie die Beschreibung der Situation aus der Sichtweise eines Ehemanns einer Parkinson-Patientin veranschaulichen die Problematik aus der Betroffenenperspektive.
Autonomous Aldosterone Secretion as a Subclinical Form of
Primary Aldosteronism: Pathogenesis and Clinical Significance
Authors: Kmieć Piotr , Sworczak Krzysztof
Published: October 2021

In recent years, a substantial prevalence of primary aldosteronism (PA) has been
demonstrated in both normotensive and mildly hypertensive cohorts. Consequently,
a classic presentation of the syndrome, i. e. moderate-to-severe
and resistant hypertension with concomitant hypokalemia, should be considered a
tip-of-the-iceberg phenotype of a wide PA spectrum. Its entire range encompasses
the non-classic clinical forms of mild hypertension and prehypertension but also
several biochemical presentations, including patients who meet PA screening and
confirmation test criteria, as well as those with either of them and those with
other parameters indicating mineralocorticoid excess. In the current review,
research insights on the pathogenetic background and clinical significance of
autonomous aldosterone secretion (AAS) are presented, which is defined as a
constellation of either: 1) normotension, normokalemia, a positive PA screening
(high aldosterone-to-renin ratio) and/or confirmation test, or 2)
hypertension, normokalemia and a positive PA screening but negative confirmation
test. For this purpose, a literature search of the PubMed database was
conducted. Advances in immunohistochemistry and genetic sequencing of isolated
adrenal cells are provided as probable morphologic basis of the wide range of
aldosterone secretion autonomy. Also, the role of corticotropin as an
aldosterone secretagogue is discussed. To date, clinical studies depict
consequences of subclinical PA phenotypes, such as increased mortality and risk
of developing hypertension, impaired arterial and kidney function, association
with metabolic syndrome and age, as well as osteoporosis.
Das fiebernde Kind in der pädiatrischen Notaufnahme
Authors: Kranz Gesche
Published: October 2021

Wenn ein Kind in die Notaufnahme kommt, ist der häufigste Grund dafür Fieber. Für die erhöhte Körpertemperatur können viele Faktoren verantwortlich sein. In der Ersteinschätzung gilt es, Kinder mit besonderem Behandlungsbedarf zu identifizieren – eine große Herausforderung für die Pflege.
Schulgesundheitsfachkräfte in Deutschland – es gab sie bereits
Authors: Maulbecker-Armstrong Catharina , Janiczek Oliver , Przybilla Elisabeth
Published: October 2021

Seit 2017 werden in 37 öffentlichen Schulen wieder Gesundheits- und (Kinder-)Kranken-pflegerinnen als „Schulgesundheitsfachkräfte“ in Brandenburg und Hessen eingesetzt. Doch schon 1908 gab es die erste „Schulkrankenschwester“ in Charlottenburg. Der folgende Bericht zeigt den Beginn des Berufsbilds in Deutschland bis zum Zweiten Weltkrieg und gibt Einblicke in die schwierigen Nachkriegsjahre.
Partizipation in der Pflege von Jugendlichen und Kindern – familienorientiert Teilhabe gestalten
Authors: Rohde Katrin S.
Published: October 2021

Kinder als Akteure im Gesundheitswesen werden in ihrem Familienzusammenhang als Interaktionspartner in (Mit-)Verantwortung für ihre Gesundheit wahrgenommen. Sie werden in Bezug auf ihre Möglichkeiten informiert und in Entscheidungen einbezogen. Partizipation beschreibt einen Ansatz der Teilhabe oder Mitwirkung an Entscheidungen und Handlungsabläufen. Partizipation unterstützt sowohl die Willensbildung als auch die Umsetzung. Dieses wird nachfolgend erfahrungsgeleitet reflektiert.
Tiefe Hirnstimulation beim idiopathischen Parkinson-Syndrom
Authors: Pfister Robert , Demmel Walter
Published: October 2021

Indikationen für die tiefe Hirnstimulation beim idiopathischen Parkinson-Syndrom sind medikamentös therapieresistenter Tremor oder medikamentös nicht ausreichend beherrschbare Wirkfluktuationen, Dyskinesien und schwere Nebenwirkungen der Medikation. Die sorgfältige präoperative Beratung der Patienten bezüglich der realistischen Therapieziele ist wesentlich für die postoperative Therapiezufriedenheit. Tremor sowie alle Off-Phasen-gebundenen motorischen und nicht motorischen Symptome sind der Therapie der tiefen Hirnstimulation gut zugänglich, dagegen sind Symptome, die präoperativ auch im medikamentösen On persistieren (On-Phasen-Freezing, Gleichgewichtsstörungen), durch die tiefe Hirnstimulation nicht zu bessern. Einige vegetative Symptome (Blasenstörungen, Schlafstörungen) können sich bessern, andere (orthostatische Dysregulation) nicht. In der postoperativen Phase können – meist transiente – psychische Störungen wie Depressivität, erhöhte Impulsivität oder Hypomanie auftreten. Die Wirkung der tiefen Hirnstimulation auf die Zielsymptome Rigor, Tremor und Hypokinese hält an, die Progredienz der neurodegenerativen Erkrankung wird aber nicht aufgehalten.
Geräteunterstützte Therapien bei fortgeschrittenem idiopathischem Parkinson-Syndrom
Authors: Ceballos-Baumann Andrés
Published: October 2021

Wirkungsschwankungen der Dopaminersatztherapie gelten als eines der am meisten störende Symptome bei Patienten mit idiopathischem Parkinson-Syndrom (IPS) im fortgeschrittenen Stadium. Es besteht Konsens, dass bei Patienten, die Levodopa mehr als 5-mal täglich benötigen und trotz optimaler oraler levodopa- und nicht levodopabasierter oraler/transdermaler Therapien weiterhin schwere, störende Off-Phasen (länger als 1–2 Stunden am Tag) aufweisen, geräteunterstützte Therapien erwogen werden können. 3 Arten von geräteunterstützten Therapien (GUT) stehen zur Verfügung: die subkutane Infusion von Apomorphin, die Infusion in das Jejunum über eine perkutanen endoskopischen Gastrostomie (PEG) eines Levodopa/Carbidopa intestinalen Gels (LCIG) mit oder ohne Entacapon (LECIG) und die tiefe Hirnstimulation (THS). Das Angebot an den äußerlich tragbaren batteriebetriebenen Medikamenten-Pumpen sowie der Systeme für die tiefe Hirnstimulation wird größer. Die Entscheidung, welche der GUT zum Zuge kommt, sollte in einem ausführlichen Abwägungsprozess zusammen mit dem Patienten und seinem Umfeld zustande kommen. Dabei sind die Präferenzen des Patienten und seiner Bezugspersonen sowie Alter, Verlauf des Parkinson-Syndroms, Ausmaß axialer Symptome, Komorbiditäten, neuropsychiatrischer und kognitiver Befund zu berücksichtigen. Die Entscheidungsfindung und die weitere Betreuung sollte idealerweise an Zentren stattfinden, die Erfahrungen in allen GUT haben.
From Court to Couch: Exercise and Quality of Life after Acute Type A Aortic Dissection
Authors: Pasadyn Selena R. , Roselli Eric E. , Artis Amanda S. , Pasadyn Cassandra L. , Phelan Dermot , Blackstone Eugene H.
Published: October 2021

Background Acute Type A aortic dissection can be physically and mentally stressful with little known about survivors' postrepair activity levels, exercise habits, and quality of life (QOL). This study was aimed to describe pre- and postdissection changes regarding exercise, understand physician recommendations, quantify use of cardiac rehabilitation, and assess QOL in dissection survivors.

Methods A total of 295 acute Type A aortic dissection survivors were surveyed about exercise, cardiac rehabilitation, QOL, sexual activity, and posttraumatic stress disorder (PTSD) with 137 (46%) respondents.

Results Respondents were less likely to participate in competitive athletics after than before dissection (1/131 [0.76%] vs. 26/131 [20%], p [McNemar test] < 0.0001) or lift heavy objects (11/111 [9.9%] vs. 41/111 [37%], p < 0.0001). Forty-eight of 132 respondents (36%) did not participate in cardiac rehabilitation. Compared with general population norms, respondents reported lower median QOL physical component scores (40 [26, 51; 15th, 85th percentile], p < 0.0001); these were lower in respondents who did not exercise (Hodges–Lehmann [HL; 95% confidence interval (CI)]: –6.8 [–11, –2.4], p = 0.002), limited sexual activity (–8.0 [–13, –4.3], p = 0.0002), or screened positive for PTSD (–10 [–14, –5.3], p = 0.0002). Median mental component scores were similar to general population norms (HL [95% CI]: 55 [34, 61], p = 0.24) but were lower among respondents who did not exercise (–4.2 [–7.8, –1.0], p = 0.01), limited sexual activity (–5.5 [–10, –1.8], p = 0.003), or screened positive for PTSD (–16 [–22, –10], p < 0.0001).

Conclusion Physicians should prescribe cardiac rehabilitation, encourage appropriate exercise, promote resumption of sexual activity, and identify and treat PTSD after surgery for acute Type A aortic dissection.
A Retrospective Observational Study of Dicentric (9;12): A Unique, Nonrandom Translocation Defining a Cytogenetic Subgroup with Favorable Outcome in Acute Lymphoblastic Leukemia
Authors: Shanthala S. , Kavitha B. L. , Kumari Prasanna , Vijay C.R. , Lokanatha D. , Appaji L. , Babu Govind , Premalata C. S. , Ramachandra C.
Published: October 2021

Introduction Cytogenetic abnormalities are integral to the risk stratification of acute lymphoblastic leukemia (ALL).

Objectives The present study aimed to highlight a rare, yet nonrandom cytogenetic abnormality notably dicentric (9;12), which was observed in ALL patients who presented to our institute. The study analyzed the frequency, clinicohematological features, and treatment response of these patients.

Materials and Methods A single-group observational study was conducted from April 2014 to April 2020. Cytogenetic analysis was done on bone marrow aspirate samples of the patients referred to the cytogenetics laboratory with clinical diagnosis of acute leukemia. Cytogenetic, clinical, and hematological data were collected from respective departmental records, case files, and patients.

Results Dic(9;12) was identified in 1.2% of ALL (19 out of 1,544 patients). They showed striking preponderance in teen and young adult males with characteristic precursor B cell immunophenotype. Majority of these patients displayed favorable risk profiles such as low total count, mild lymphadenopathy and splenomegaly, mild-to-moderate elevation of lactate dehydrogenase, and good response to first induction chemotherapy. Rare coexistence of dic(9;12) with well-established cytogenetic markers such as t(9;22) and t(1;19) was observed.

Conclusion Dic(9;12) is one of the most specific cytogenetic markers of precursor B cell (pre-B) ALL. It defines a subgroup with favorable clinical and biological profile. We suggest inclusion of dic(9;12) in cytogenetic risk stratification of precursor B cell ALL. Long-term follow-up studies are recommended to establish the prognostic significance of this cytogenetic subgroup, which may benefit from less intensive chemotherapy.
Towards the Representation of Network Assets in Health Care Environments Using Ontologies
Authors: Prieto Santamaría Lucía , Fernández Lobón David , Díaz-Honrubia Antonio Jesús , Ruiz Ernestina Menasalvas , Nifakos Sokratis , Rodríguez-González Alejandro
Published: October 2021

Objectives The aim of the study is to design an ontology model for the representation of assets and its features in distributed health care environments. Allow the interchange of information about these assets through the use of specific vocabularies based on the use of ontologies.

Methods Ontologies are a formal way to represent knowledge by means of triples composed of a subject, a predicate, and an object. Given the sensitivity of network assets in health care institutions, this work by using an ontology-based representation of information complies with the FAIR principles. Federated queries to the ontology systems, allow users to obtain data from multiple sources (i.e., several hospitals belonging to the same public body). Therefore, this representation makes it possible for network administrators in health care institutions to have a clear understanding of possible threats that may emerge in the network.

Results As a result of this work, the “Software Defined Networking Description Language—CUREX Asset Discovery Tool Ontology” (SDNDL-CAO) has been developed. This ontology uses the main concepts in network assets to represent the knowledge extracted from the distributed health care environments: interface, device, port, service, etc.

Conclusion The developed SDNDL-CAO ontology allows to represent the aforementioned knowledge about the distributed health care environments. Network administrators of these institutions will benefit as they will be able to monitor emerging threats in real-time, something critical when managing personal medical information.
Considerations for the modeling of the laser ablation region of ICF targets with Lagrangian simulations
Authors: Scheiner Brett , Schmitt Mark
Published: October 2021

Recently, much effort has been dedicated to the improvement of models and modeling choices utilized in radiation hydrodynamic simulations of direct drive inertial confinement fusion experiments in an effort to improve their predictive capability. In this paper, we consider the choice in mesh for the simulation of the laser ablation of a direct-drive-like target and compare Lagrangian simulations with various mesh zoning choices with Eulerian simulations with fixed resolution in the laser energy deposition region. Using these simulations, we demonstrate how errors in ablation pressure, laser deposition rate, shock speed, and density profile arise from insufficient zoning following from the conservation of mass of Lagrangian zones. These considerations place stringent requirements on the initial t = 0 zoning in the solid density shell for simulations aiming at resolving the ablation and laser absorption region. However, with sufficiently fine zoning in the t = 0 shell, agreement with Eulerian simulations and analytic scaling laws can be recovered.
Selective ligand exchange synthesis of Au16(2-PET)14 from Au15(SG)13
Authors: Truttmann Vera , Pollitt Stephan , Drexler Hedda , Nandan Sreejith P. , Eder Dominik , Barrabés Noelia , Rupprechter Günther
Published: October 2021

Replacement of protecting ligands of gold nanoclusters by ligand exchange has become an established post-synthetic tool for selectively modifying the nanoclusters’ properties. Several Au nanoclusters are known to additionally undergo size transformations upon ligand exchange, enabling access to cluster structures that are difficult to obtain by direct synthesis. This work reports on the selective size transformation of Au15(SG)13 (SG: glutathione) nanoclusters to Au16(2-PET)14 (2-PET: 2-phenylethanethiol) nanoclusters through a two-phase ligand exchange process at room temperature. Among several parameters evaluated, the addition of a large excess of exchange thiol (2-PET) to the organic phase was identified as the key factor for the structure conversion. After exchange, the nature of the clusters was determined by UV–vis, electrospray ionization-time of flight mass spectrometry, attenuated total reflection-Fourier transform infrared, and extended x-ray absorption fine-structure spectroscopy. The obtained Au16(2-PET)14 clusters proved to be exceptionally stable in solution, showing only slightly diminished UV–vis absorption features after 3 days, even when exposed to an excess of thiol ligands.
Revisiting impulsive stimulated thermal scattering in supercooled liquids: Relaxation of specific heat and thermal expansion
Authors: Gandolfi Marco , Liu Liwang , Zhang Pengfei , Kouyaté Mansour , Salenbien Robbe , Banfi Francesco , Glorieux Christ
Published: October 2021

Impulsive stimulated thermal scattering (ISTS) allows one to access the structural relaxation dynamics in supercooled molecular liquids on a time scale ranging from nanoseconds to milliseconds. Till now, a heuristic semi-empirical model has been commonly adopted to account for the ISTS signals. This model implicitly assumes that the relaxation of specific heat, C, and thermal expansion coefficient, γ, occur on the same time scale and accounts for them via a single stretched exponential. This work proposes two models that assume disentangled relaxations, respectively, based on the Debye and Havriliak–Negami assumptions for the relaxation spectrum and explicitly accounting for the relaxation of C and γ separately in the ISTS response. A theoretical analysis was conducted to test and compare the disentangled relaxation models against the stretched exponential. The former models were applied to rationalize the experimental ISTS signals acquired on supercooled glycerol. This allows us to simultaneously retrieve the frequency-dependent specific heat and thermal expansion up to the sub-100 MHz frequency range and further to compare the fragility and time scale probed by thermal, mechanical, and dielectric susceptibilities.
Distant residues modulate conformational opening in SARS-CoV-2 spike protein
Authors: Ray Dhiman , Le Ly , Andricioaei Ioan
Published: October 2021

Significance

The novel coronavirus (SARS-CoV-2) pandemic resulted in the largest public health crisis in recent times. Significant drug design effort against SARS-CoV-2 is focused on the receptor-binding domain (RBD) of the spike protein, although this region is highly prone to mutations causing therapeutic resistance. We applied deep data analysis methods on all-atom molecular dynamics simulations to identify key non-RBD residues that play a crucial role in spike−receptor binding and infection. Because the non-RBD residues are typically conserved across multiple coronaviruses, they can be targeted by broad-spectrum antibodies and drugs to treat infections from new strains that might appear during future epidemics.
Attractive forces slow contact formation between deformable bodies underwater
Authors: Sun Mengyue , Kumar Nityanshu , Dhinojwala Ali , King Hunter
Published: October 2021

Significance

Understanding underwater contact mechanics between soft materials and hard surfaces is of prime importance due to its ubiquity and practical relevance. From biological creatures climbing on flooded surfaces and human figures getting grip on wet surfaces to adhesives sealing a wound underwater, performance depends upon water evacuation to achieve contact. We report a counterintuitive relationship between adhesion and water evacuation. Surfaces with stronger thermodynamic work of adhesion show slower evacuation rates as a result of water entrapment in isolated puddles. Interestingly, the evacuation rates speed up at the point of zero underwater work of adhesion. These insights pave the way for developing materials for achieving underwater adhesion/grip and avoiding liquid entrapments via proper combination of chemistry and surface structure.
Single-cell profiling reveals the importance of CXCL13/CXCR5 axis biology in lymphocyte-rich classic Hodgkin lymphoma
Authors: Aoki Tomohiro , Chong Lauren C. , Takata Katsuyoshi , Milne Katy , Marshall Ashley , Chavez Elizabeth A. , Miyata-Takata Tomoko , Ben-Neriah Susana , Unrau Doria , Telenius Adele , Boyle Merrill , Weng Andrew P. , Savage Kerry J. , Scott David W. , Farinha Pedro , Shah Sohrab P. , Nelson Brad H. , Steidl Christian
Published: October 2021

Significance

Our study provides detailed functional and spatial characteristics of immune cells in the LR-CHL microenvironment at single-cell resolution. We describe detailed T cell subset definitions and importantly identified a unique CD4
+
PD-1
+
CXCL13
+
CXCR5
−
TFH-like subset that surrounds HRS cells, appears in close proximity to CXCR5
+
B cells, and is associated with poor clinical outcome. We also uncovered unique PD-1/PD-L1 axis biology in LR-CHL, namely a negative correlation between PD-L1 genetic alterations on HRS cells and PD-1 protein expression in the tumor microenvironment. Importantly, our findings contribute to a deeper understanding of cellular cross-talk in LR-CHL, which may aid in the development of novel biomarkers and targeted treatment strategies.
Hurricane annual cycle controlled by both seeds and genesis probability
Authors: Yang Wenchang , Hsieh Tsung-Lin , Vecchi Gabriel A.
Published: October 2021

Significance

Atlantic hurricanes have a sharp annual cycle with more than half count concentrated in only 3 mo of August to October, which is, however, usually not captured by traditional tropical cyclone (TC) genesis theory. We find that this issue can be addressed if we take into account variation of pre-TC vortex seeds and incorporate it into a two-stage TC development: emerging of pre-TC seeds and development of TCs from seeds, with the latter described by TC genesis probability. The two processes working together lead to the sharp annual cycle of Atlantic hurricanes. We also demonstrate that TC annual cycles from various ocean basins can be unified and understood in the new framework.
The expressive dimension of interpersonal coordination and collaborative remembering
Authors: Olivares Himmbler , Cornejo Carlos
Published: October 2021

While individuals interact, they coordinate their feelings and emotions. They also coordinate several kinds of
expression while interacting, like facial expressions and gestures. Inspired by Karl Bühler’s Organon model and
Henri Bergson’s description of remembering experiences, we explore interpersonal coordination during a collaborative remembering
task between two people. We present a case study of one dyad employing videography to identify and distinguish two types of
spontaneous interpersonal coordination (expressive-affective and representational). In a later stage, separate interviews of both
participants are analyzed to establish whether content, freely remembered, is related to the previously observed coordination. The
data describes that expressive-affective coordination during interaction is directly linked to the subjective organization of
experience in individual remembering. We discuss these results, emphasizing the intersubjective aspects of lived experience and
their relationship to expressive and representational aspects of coordination and remembering.
An overview of the Japanese copuladaas an utterance-final expression in conversation
Authors: Nishi Hironori
Published: October 2021

The present study examines cases of the Japanese copuladaused in the utterance-final position in naturally occurring conversations. The morphemedain Japanese is typically categorized as a type of copula in linguistic studies, butdaalso functions as an utterance-final expression, especially in the spoken form of Japanese. The examined recordings of naturally occurring conversations for the present study contained 120 cases of utterance-finalda, and 89 (74.2%) of them were uttered immediately following statements of subjective evaluation. In addition, of these 89 cases of utterance-finaldathat followed statements of evaluation, 87 were determined to follow statements in which the speaker expressed his or her negative attitude toward the evaluated matter. The data analysis also showed that 26 cases (21.7%) of utterance-finaldain the examined recordings were uttered immediately after the speaker discovered a new piece of information. Based on the findings from the data analysis, the present study argues that utterance-finaldais considered to be one of the expressions in Japanese that can signal both discovery of new information and the speaker’s negative attitude toward a stated matter. In addition, the present study also argues thatdamarks the speaker’s emotional exclamatory reaction when it is used in the utterance-final position.
‘Die’ and its different situation-bound utterances in Persian
Authors: Moghaddam Mostafa Morady , Babaee Soodeh
Published: October 2021

In this paper, using the tenets of Situation-Bound Utterances (SBUs) (Kecskes 2000, 2010) and referring to Pragmatic Act
Theory (PAT) (Mey 2001), the verb mordan (‘to die’ in
English), and its different realisations are analysed among Persian speakers. Through the analysis of authentic talk in
interaction, this study aims to ponder nonstandard (situation-derived) meanings of the term mordan and its
different SBUs. The primary focus of the study is on strings of linguistic events as well as the “conventions of usage” (Morgan 1978) or cultural understanding that may lead to standard and nonstandard meanings
considering mordan and its different SBUs. The findings suggest that the SBUs regarding mordan,
a neglected sociolinguistic context, not only is affected by its actual situational characteristics but also by prior context
encoded in utterances used, which manifests culture-specific ways of thinking (Capone
2018; Wong 2010). Overall, 19 SBUs and 7 generic categories were identified
with regard to the verb mordan in Persian. This paper exhibits that mordan is a versatile verb,
which, when combined with situational/contextual factors, conveys different nonstandard functions that fulfil social needs. This
study will also refer to linguistic features underlying SBUs that are influential in assigning various distinct meanings to the
verb mordan in Persian.
A properly pragmatist pragmatics
Authors: Legg Catherine
Published: October 2021

Although most contemporary philosophers of language hold that semantics and pragmatics require separate study,
there is surprisingly little agreement on where exactly the line should be drawn between these two areas, and why. In this paper I
suggest that this lack of clarity is at least partly caused by a certain historical obfuscation of the roots of the founding
three-way distinction between syntax, semantics and pragmatics in Charles Peirce’s pragmatist philosophy of language. I then argue
for recovering and revisiting these original roots, taking indexicality as a case-study of how certain questions connected with
the distinction which are currently considered complex and difficult may be clarified by a ‘properly pragmatist pragmatics’. Such
a view, I shall argue, upends a certain priority usually accorded to semantics over pragmatics, teaching that we do not work out
what terms mean in some abstract overall sense and then work out to what use they are being put; rather, we must understand to
what use terms are being put in order to understand what they mean.
Recent progress and future perspectives on carbon-nanomaterial-dispersed liquid crystal composites
Authors: Kumar Ajay , Pratap Singh Dharmendra , Singh Gautam
Published: October 2021

The realm of liquid crystals (LCs) has significantly benefited when amalgamated with the exciting features of nanotechnology. Various nanomaterials (NMs) have shown their potentiality in tailoring the display and non-display characteristics of LC materials. Carbon-based nanomaterials (CNMs) such as carbon nanotubes, graphene oxide, graphene flakes, graphene and carbon dots are found to exhibit synergistic interaction with LCs to provide interesting properties such as low switching threshold voltage, faster switching response, reduced ionic conductivity and the formation of localized pseudonematic domains, etc. The network of benzene rings in the CNMs is found to offer π–π stacking of electrons with a benzene-based core of LC molecules which could provide a susceptible pathway for the strong interaction between the LCs and the CNMs. However, the uniform and stable dispersion of CNMs in the LC matrix has been found to be a challenging step in preparation of CNM/LC composites. Herein, we present a detailed review on the recent research work based on CNM-dispersed LC composites with an emphasis on the methods to obtain uniform CNM/LC dispersion and the dielectric, electro-optical, orientation, photophysical properties, etc, of the composites. Moreover, we have critically discussed the pros and cons of these composites and proposed the future scope of research in this exciting field.
Thermodynamic and transport properties of matter formed in pp, p-Pb, Xe–Xe and Pb–Pb collisions at the Large Hadron Collider using color string percolation model
Authors: Sahu Dushmanta , Sahoo Raghunath
Published: October 2021

To have a better understanding of the matter formed in ultra-relativistic collisions, using the color string percolation model, we have estimated initial energy density, mean free path, squared speed of sound, shear viscosity to entropy density ratio (η/s), bulk viscosity to entropy density ratio and bulk modulus for pp, p-Pb, Xe–Xe and Pb–Pb collisions at the Large Hadron Collider (LHC). These observables are studied as a function of final state charged particle multiplicity density normalized by nuclear overlap area and initial state percolation temperature. The results from this work are compared with the results from well known QCD models and with the transport properties of matter found in day-to-day life. These observables allow us to conclude an array of important findings about the matter formed in high-energy collisions at the LHC. For the high-multiplicity events, the estimated η/s are comparable with that is observed for heavy-ion collisions, which is an indication of a strongly coupled quark gluon plasma. This makes LHC high-multiplicity pp collision events as probable candidates for the search of quark-gluon plasma droplets.
Transport threshold in a quantum model for the KscA ion channel
Authors: De March N , Prado S D , Brunnet L G
Published: October 2021

The mechanism behind the high throughput rate in K+ channels is still an open problem. However, recent simulations have shown that the passage of potassium through the K+ channel core, the so-called selectivity filter (SF), is water-free against models where the strength of Coulomb repulsion freezes ions conduction. Thus, it has been suggested that coherent quantum hopping might be relevant in mediating ion conduction. Within the quantum approach and the hypothesis of desolvated ions along the pathway, we start with several particles in a source to see how they go across a SF, modeled by a linear chain of sites, to be collected in a drain. We show that the average SF occupancy is three ions, and the ion transfer rate is ∼108 ions s−1, results which agree with the recent findings in the literature.