bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells
Authors: Khalid Muhammad , Khan Muhammad Usman , Ahmed Saeed , Shafiq Zahid , Alam Mohammed Mujahid , Imran Muhammad , Braga Ataualpa Albert Carmo , Akram Muhammad Safwan 
Published: November 2021

AbstractNon-fullerene based organic compounds are considered promising materials for the fabrication of modern photovoltaic materials. Non-fullerene-based organic solar cells comprise of good photochemical and thermal stability along with longer device lifetimes as compared to fullerene-based compounds. Five new non-fullerene donor molecules were designed keeping in view the excellent donor properties of 3-bis(4-(2-ethylhexyl)-thiophen-2-yl)-5,7-bis(2ethylhexyl) benzo[1,2-:4,5-c′]-dithiophene-4,8-dione thiophene-alkoxy benzene-thiophene indenedione (BDD-IN) by end-capped modifications. Photovoltaic and electronic characteristics of studied molecules were determined by employing density functional theory (DFT) and time dependent density functional theory (TD-DFT). Subsequently, obtained results were compared with the reference molecule BDD-IN. The designed molecules presented lower energy difference (ΔΕ) in the range of 2.17–2.39 eV in comparison to BDD-IN (= 2.72 eV). Moreover, insight from the frontier molecular orbital (FMO) analysis disclosed that central acceptors are responsible for the charge transformation. The designed molecules were found with higher λmaxvalues and lower transition energies than BDD-IN molecule due to stronger end-capped acceptors. Open circuit voltage (Voc) was observed in the higher range (1.54–1.78 V) in accordance with HOMOdonor–LUMOPC61BMby designed compounds when compared with BDD-IN (1.28 V). Similarly, lower reorganization energy values were exhibited by the designed compounds in the range of λe(0.00285–0.00370 Eh) and λh(0.00847–0.00802 Eh) than BDD-IN [λe(0.00700 Eh) and λh(0.00889 Eh)]. These measurements show that the designed compounds are promising candidates for incorporation into solar cell devices, which would benefit from better hole and electron mobility.
Monitoring transformation of two tropical lignocellulosics and their lignins after residence in Benin soils
Authors: Daassi Rodrigue , Kasangana Pierre Betu , Khasa Damase P. , Stevanovic Tatjana 
Published: November 2021

AbstractThermally assisted Hydrolysis and Methylation (THM), and 2D-heteronuclear single quantum coherence nuclear magnetic resonance (2D HSQC NMR) spectroscopy were used to monitor the transformation of ramial chipped wood (RCW) from Gmelina arborea and Sarcocephalus latifolius, together with their organosolv lignins, following soil incubation in Benin (West Africa). Mesh litterbags containing RCW were buried in soils (10 cm depth) and were retrieved after 0, 6, 12 and 18 months of field incubation. Chemical analysis showed that total carbohydrate content decreased, while total lignin content increased as RCW decomposition progressed. Ash and mineral content of RCW increased significantly after 18 months of decomposition in soil. Significant N-enrichment of the RCW was determined following 18 months incubation in soils, reaching 2.6 and 1.9 times the initial N-content for G. arborea and S. latifolius. Results of THM showed that the S + G sum, corresponding to lignins, increased with RCW residence time in the soils, in contrast to the response of compounds derived from carbohydrates, the sum of which decreased. Remarkably, lignin interunit linkages, most notably β-O-4′ aryl ethers, β-β′ resinol, β-5′ phenylcoumaran and p-PCA p-coumarate, survived after 18 months in the soil, despite their gradual decrease over the duration of the experiment.
Nutritional status and prey energy density govern reproductive success in a small cetacean
Authors: IJsseldijk Lonneke L. , Hessing Sanne , Mairo Amy , ten Doeschate Mariel T. I. , Treep Jelle , van den Broek Jan , Keijl Guido O. , Siebert Ursula , Heesterbeek Hans , Gröne Andrea , Leopold Mardik F. 
Published: November 2021

AbstractA variety of mammals suppress reproduction when they experience poor physical condition or environmental harshness. In many marine mammal species, reproductive impairment has been correlated to polychlorinated biphenyls (PCBs), the most frequently measured chemical pollutants, while the relative importance of other factors remains understudied. We investigate whether reproductively active females abandon investment in their foetus when conditions are poor, exemplified using an extensively studied cetacean species; the harbour porpoise (Phocoena phocoena). Data on disease, fat and muscle mass and diet obtained from necropsies in The Netherlands were used as proxies of health and nutritional status and related to pregnancy and foetal growth. This was combined with published life history parameters for 16 other areas to correlate to parameters reflecting environmental condition: mean energy density of prey constituting diets (MEDD), cumulative human impact and PCB contamination. Maternal nutritional status had significant effects on foetal size and females in poor health had lower probabilities of being pregnant and generally did not sustain pregnancy throughout gestation. Pregnancy rates across the Northern Hemisphere were best explained by MEDD. We demonstrate the importance of having undisturbed access to prey with high energy densities in determining reproductive success and ultimately population size for small cetaceans.
Removal of eDNA from fabrics using a novel laundry DNase revealed using high-resolution imaging
Authors: Yau Hamish C. L. , Malekpour Adam K. , Momin Nazarmohammad G. , Morales-García Ana L. , Willats William G. T. , Lant Neil J. , Jones Catherine Y. 
Published: November 2021

AbstractWashed textiles can remain malodorous and dingy due to the recalcitrance of soils. Recent work has found that ‘invisible’ soils such as microbial extracellular DNA (eDNA) play a key role in the adhesion of extracellular polymeric substances that form matrixes contributing to these undesirable characteristics. Here we report the application of an immunostaining method to illustrate the cleaning mechanism of a nuclease (DNase I) acting upon eDNA. Extending previous work that established a key role for eDNA in anchoring these soil matrixes, this work provides new insights into the presence and effective removal of eDNA deposited on fabrics using high-resolution in-situ imaging. Using a monoclonal antibody specific to Z-DNA, we showed that when fabrics are washed with DNase I, the incidence of microbial eDNA is reduced. As well as a quantitative reduction in microbial eDNA, the deep cleaning benefits of this enzyme are shown using confocal microscopy and imaging analysis of T-shirt fibers. To the best of our knowledge, this is the first time the use of a molecular probe has been leveraged for fabric and homecare-related R&D to visualize eDNA and evaluate its removal from textiles by a new-to-laundry DNase enzyme. The approaches described in the current work also have scope for re-application to identify further cleaning technology.
Gamma diversity and under-sampling together generate patterns in beta-diversity
Authors: Marathe Aniruddha , Priyadarsanan Dharma Rajan , Krishnaswamy Jagdish , Shanker Kartik 
Published: November 2021

AbstractBeta diversity represents how species in the regional pool segregate among local communities and hence forms a link between local and regional species diversities. Therefore, the magnitude of beta diversity and its variation across geographic gradients can provide insights into mechanisms of community assembly. Along with limits on local or regional level diversities, effects of local abundance that lead to under-sampling of the regional species pool are important determinants of estimated beta diversity. We explore the effects of regional species pools, abundance distributions, and local abundance to show that patterns in beta diversity as well as the mean of species abundance distribution have distinct outcomes, depending on limits on species pools and under-sampling. We highlight the effect of under-sampling in some established relationships between gamma diversity and beta diversity using graphical methods. We then use empirical data on ant communities across an elevational gradient in the Eastern Himalayas to demonstrate a shift from effect of reduction in species pool to under-sampling at mid-elevations. Our results show that multiple processes with contrasting effects simultaneously affect patterns in beta diversity across geographic gradients.
Ca2+ imbalance caused by ERdj5 deletion affects mitochondrial fragmentation
Authors: Yamashita Riyuji , Fujii Shohei , Ushioda Ryo , Nagata Kazuhiro 
Published: November 2021

AbstractThe endoplasmic reticulum (ER) is the organelle responsible for the folding of secretory/membrane proteins and acts as a dynamic calcium ion (Ca2+) store involved in various cellular signalling pathways. Previously, we reported that the ER-resident disulfide reductase ERdj5 is involved in the ER-associated degradation (ERAD) of misfolded proteins in the ER and the activation of SERCA2b, a Ca2+ pump on the ER membrane. These results highlighted the importance of the regulation of redox activity in both Ca2+ and protein homeostasis in the ER. Here, we show that the deletion of ERdj5 causes an imbalance in intracellular Ca2+ homeostasis, the activation of Drp1, a cytosolic GTPase involved in mitochondrial fission, and finally the aberrant fragmentation of mitochondria, which affects cell viability as well as phenotype with features of cellular senescence. Thus, ERdj5-mediated regulation of intracellular Ca2+ is essential for the maintenance of mitochondrial homeostasis involved in cellular senescence.
Does Phonological Complexity Provide a Good Index of Language Disorder in Children With Cochlear Implants?
Authors: David Céline , Tuller Laurice , Schweitzer Elisabeth , Lescanne Emmanuel , Bonnet-Brilhault Frédérique , Gomot Marie , Ferré Sandrine 
Published: November 2021

PurposePhonological complexity is known to be a good index of developmental language disorder (DLD) in normal-hearing children, who have major difficulties on some complex structures. Some deaf children with cochlear implants (CIs) present a profile that evokes DLD, with persistent linguistic difficulties despite good audiological and environmental conditions. However, teasing apart what is related to auditory deficit or to language disorder remains complex.MethodWe compared the performance of three groups of school-age children, 33 children with CI, 22 with DLD, and 24 with typical development, on a nonword repetition (NWR) task based on phonological complexity. Children with CI were studied regarding their linguistic profile, categorized in four subgroups ranging from excellent to very poor performance. Influence of syllable length and phonological structures on the results of all the children were explored.ResultsThe NWR task correctly distinguished children with DLD from typically developing children, and also children with CI with the poorest linguistic performance from other children with CI. However, most complex phonological structures did not reliably identify children with CI displaying a profile similar to that of children with DLD because these structures were difficult for all of the children with CI. The simplest phonological structures were better at detecting persistent language difficulties in children with CI, as they were challenging only for the children with the poorest language outcomes.ConclusionsThe most complex phonological structures are not good indices of language disorder in children with CI. Phonological complexity represents a gradient of difficulty that affects normal-hearing and deaf children differently.
An eco‐driving approach for ride comfort improvement
Authors: Mata‐Carballeira Ó. , del Campo I. , Asua E. 
Published: November 2021

AbstractNew challenges on transport systems are emerging due to the advances that the current paradigm is experiencing. The breakthrough of the autonomous car brings concerns about ride comfort, while the pollution concerns have arisen in recent years. In the model of automated automobiles, drivers are expected to become passengers, so, they will be more prone to suffer from ride discomfort or motion sickness. Conversely, the eco‐driving implications should not be set aside because of the influence of pollution on climate and people's health. For that reason, a joint assessment of the aforementioned points would have a positive impact. Thus, this work presents a self‐organised map‐based solution to assess ride comfort features of individuals considering their driving style from the viewpoint of eco‐driving. For this purpose, a previously acquired dataset from an instrumented car was used to classify drivers regarding the causes of their lack of ride comfort and eco‐friendliness. Once drivers are classified regarding their driving style, natural‐language‐based recommendations are proposed to increase the engagement with the system. Hence, potential improvements of up to the 57.7% for ride comfort evaluation parameters, as well as up to the 47.1% in greenhouse‐gasses emissions are expected to be reached.
Stabilization of DC–DC buck converter with unknown constant power load via passivity‐based control plus proportion‐integration
Authors: He Wei , Namazi Mohammad Masoud , Koofigar Hamid Reza , Amirian Mohammad Ali , Blaabjerg Frede 
Published: November 2021

AbstractIt is known that constant power load (CPL) may cause a negative impedance, which seriously affects the stability of power system. In this paper, a new control algorithm for DC–DC buck converter feeding unknown CPL is proposed. First, under the assumption of known extracted power load, the standard passivity–based control (PBC) is presented to reshape the system energy and compensate for the negative impedance and a proportion‐integration (PI) action around passive output is added to improve disturbance rejection performance, which forms the PBC plus PI (PBC+PI). Then, a parameter estimation algorithm is developed, based on immersion and invariance (I&I) technique, in order to online estimate the extracted power load. In the next step, the online estimation scheme is adopted to construct an adaptive strategy. Finally, the stability analysis of the cascaded system containing a closed‐loop control system and observer error dynamics is conducted. Simulation and experimental results are demonstrated to validate the performance of the proposed controller.
Radix‐16 CSA‐based low‐latency non‐Montgomery modular multiplier
Authors: Wu Tao 
Published: November 2021

AbstractThe long‐precision modular multiplier is usually performed by Montgomery algorithm with bit shifts, yielding a result in the form of . In fact, with the precomputation of proposed by others, it is able to compute classic modular multiplication rather than Montgomery modular multiplication . In this work, a multi‐bit CSA‐based long‐precision modular multiplier is proposed for hardware implementation. It includes two carry save adders and one RAM access to perform modular multiplications. After every modular multiplication, a division is applied to reduce the result down to . Hardware implementation results show that a 1024‐bit modular multiplication can be completed in 2.39 s on the XC5V FPGA platform, costing 5793 slices, 8 DSPs and 36 BRAMs, which is a promising candidate to compute incontinuous classic modular multiplications.
Arbeits(un)fähigkeit bei psychischen Erkrankungen
Authors: Hillert Andreas , Bauman Tabea , Meule Adrian , Heinrich Ute 
Published: November 2021

ZUSAMMENFASSUNGIn einer Expertenbefragung benannten Ärzte und Psychologen erhebliche Dilemmata hinsichtlich der Feststellung von Arbeitsunfähigkeit angesichts psychiatrischer/psychosomatischer Patienten. Routinedaten einer psychosomatischen Fachklinik zeigen eine signifikante Reduktion z. B. der depressiven Symptomatik von Patienten im Therapieverlauf, ohne dass dies unmittelbar und in jedem Fall mit einer Zunahme der Arbeitsfähigkeit bei Entlassung korreliert. Limitiert wird dieser Befund durch das Fehlen von Daten zum weiteren poststationären Verlauf. Die bezüglich der Feststellung von Arbeitsunfähigkeit intervenierenden Aspekte werden eingehend diskutiert. Von den befragten Experten und Klinikern wird u. a. eingeräumt, dass die Selbsteinschätzung der Patienten erheblichen Einfluss die die letztlich vollzogene Bewertung hat. Ausgehend hiervon werden die offiziellen Richtlinien zum Thema Arbeitsunfähigkeit referiert. Wissenschaftliche Studien zur Reliabilität von Krankschreibungen gibt es nicht, was u. a. die Aussagekraft von Präsentismus-Studien relativiert. Konzepte, die der immensen Tragweite für alle Beteiligten und der entsprechenden Komplexität des Themas angemessen sind, werden skizziert. Adäquate Kenntnisse der Arbeitsbedingungen ihrer Patienten, Wissen hinsichtlich der Ambiguität von Krankschreibungen (pathogene und salutogenetische Aspekten der Arbeit) und eine (Selbst-)Reflexion bezüglich des Themas erscheinen unabdingbar. Zumal angesichts von offenkundigen Arbeitskonflikten und Überlastungskonstellationen der Patienten wäre es angemessen, anstatt längerfristiger Krankschreibungen, Überlastungsanzeigen aus medizinisch/psychotherapeutischen Gründen zu machen und eine systemisch-interdisziplinäre Lösung zum Nutzen aller Beteiligter anzustreben.
Ursachen, Diagnostik und Therapie neurogener Dysphagien
Authors: Kolodziej Jonas , Al Basri Saif , Azizi Mimoun , Rombach Adrian , Kirchhoff Felix , Wright Pia 
Published: November 2021

ZUSAMMENFASSUNGDie neurogene Dysphagie ist eines der häufigsten und lebensbedrohlichsten Symptome neurologischer Störungen wie Hirninfarkte oder neurodegenerative Erkrankungen. Da die durchschnittliche Lebenserwartung stetig steigt, ergibt sich prognostisch ebenfalls ein Anstieg an darunter leidenden Patienten. Entsprechend befasst sich die vorliegende Arbeit mit der Erläuterung und Bewertung der im klinischen Alltag durchgeführten Maßnahmen in Bezug auf Prognose, Diagnostik und Therapie bei neurogener Dysphagie. Es wurde in 2 Literaturdatenbanken (PUBMED; EMBASE) systematisch nach Studien zu Ursachen, Diagnostik und Behandlung von neurogenen Dysphagien gesucht und eine gezielte Auswahl von Studien getroffen, die sich mit Dysphagien in Folge neurologischer Erkrankungen befassten. Einzelfallberichte wurden ausgelassen, klinische Studien jeder sonstigen Art miteingeschlossen. Das Review fasst die Ergebnisse von 24 Studien zusammen. Es zeigte sich, dass mittels flexibler endoskopischer Bewertung des Schluckens (FEES), standardisierter Schluckuntersuchung (SSA), Anamnese und Bildgebung bereits früh eine Prognose zum Ausmaß der Dysphagie möglich war. Zudem zeigte sich die SSA als sinnvolle Maßnahme zur Detektion von Aspirationen, durch eine FEES konnten vermehrt stille Aspirationen erkannt werden und die videofluoroskopische Schluckuntersuchung (VFSS) hatte Vorteile in der Bewertung des Ablaufs der Schluckphasen. Therapeutisch erwiesen sich, je nach Ergebnissen der vorangegangenen Untersuchungen, Schlucktherapie und das Andicken von Flüssigkeiten als effizient, bei bestimmten Krankheitsbildern (Z. n. Hirninfarkt bei gleichzeitig bestehendem Z. n. Dekanülierung) ergab sich bei pharyngealer Elektrostimulation ein positives Bild.
Arzt-Patient-Beziehung
Authors: Valdés-Stauber Juan 
Published: November 2021

ZUSAMMENFASSUNG
Hintergrund Medizinisches Handeln erfolgt als sensible zwischenmenschliche Begegnung, in der die technische Leistung in einer für das Gelingen der Behandlung relevanten Arzt-Patient-Beziehung eingebettet ist.
Ziel der Untersuchung Ausarbeitung einer anthropologischen Modellierung der „Arzt-Patient-Beziehung“ bzw. der „therapeutischen Beziehung“.
Methode Es wird zunächst ein Standardmodell der Arzt-Patient-Beziehung vorgeschlagen. Es folgt die Formulierung von anthropologischen Annahmen zur Arzt-Patient-Beziehung. Abschließend wird ein anthropologisches Modell von befähigenden Dimensionen dieser Beziehung ausgearbeitet.
Ergebnisse Es werden 4 Bedeutungen von therapeutischer Beziehung entworfen (als Therapie bahnend, als Wirkfaktor, als in Therapie umgewandelt, als Therapie selbst) sowie 6 Begriffspaare formuliert, zwischen welchen sich die Arzt-Patient-Beziehung dialektisch bewegt. Das ausgearbeitete anthropologische Modell der Arzt-Patient-Beziehung weist formal 3 Momente auf: Zwischen den Merkmalen einer Arzt-Patient-Beziehung und deren in Gang gesetzten allgemeinen therapeutischen Auswirkungen kommen anthropologische Mediatoren zur Entfaltung, die den Kategorien Haltung, Interpersonalität und Kommunikation zuzuordnen sind.
Diskussion Während das Standardmodell der Arzt-Patient-Beziehung von einer grundsätzlichen komplementären Rollenasymmetrie ausgeht, betrachtet die anthropologische Perspektive allgemein wirkende Grundkategorien wie Solidarität, Verständnis und Verständigung. Diese Beziehung ist nicht nur kollaborativ, sondern je nach Grad der Autonomie partnerschaftlich, stets aber Ausdruck des Respekts vor einer zu würdigenden fremden Existenz.
Solitary Dorsal Intramedullary Schwanomma – A Rare Lesion
Authors: Bhople Laxmikant , Kharosekar Hrushikesh , Jain Nimesh , Velho Vernon 
Published: November 2021

AbstractIntramedullary schwanommas are rare, and most cases are reported in cervical region. Less than 20 dorsal intramedullary schwanommas have been reported till date in literature. This is due to their cell of origin, the Schwann cell, which is not normally found within the parenchyma of the brain and spinal cord; therefore it is not surprising that these lesions are rare. We report a rare solitary dorsal intramedullary schwanomma in a young adult patient who presented with paraplegia.
Spectral type of a class of random Jacobi operators
Authors: Fu Zhengqi , Li Xiong 
Published: November 2021

In this paper, we use the generalized Prüfer variables to study the spectral type of a class of random Jacobi operators (Hτ,ωλu)(n)=τnu(n+1)+τn−1u(n−1)+λanωnu(n), in which the decay speed of the parameters an is n−α for some α &gt; 0. We will show that the operator has an absolutely continuous spectrum for α&gt;12, a pure point spectrum for 0&lt;α&lt;12, and a transition from a singular continuous spectrum to a pure point spectrum in α=12.
Prospects of eco-hydrological model for sponge city construction
Authors: Feng Chuhan , Zhang Na , Habiyakare Telesphore , Yan Yuna , Zhang Han 
Published: November 2021

ABSTRACT

Introduction
Understanding complex urban eco-hydrological processes through models is an important approach in sponge city construction. However, the research on this has not kept pace with the urgent need for sustainable development of urban water resources, which makes the current construction efficiencies unsatisfactory.

Outcomes
This review highlights the importance of establishing a multi-scale urban distributed eco-hydrological model by analyzing the connotations of sponge city construction. Hydrological models that can be configured for sponge city construction were selected. Traditional models have limitations in coupling ecological and hydrological processes, multi-scale and landscape-based simulations, refined simulations, and computational efficiency. By contrast, cellular automaton has a discrete data structure in space, time, and states, is capable of bottom-up computing, and provides a new conceptual framework for simulating complex urban eco-hydrological processes.

Discussion and Conclusion
Future model development may focus on the conduction of multi-scale simulation systems, the simulation of coupled urban eco-hydrological processes, the quantification of eco-hydrological responses to land cover composition, spatial configuration and low impact development practices, and improving simulation accuracy.