bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chiral recognition mechanism of cellobiohydrolase Cel7A for ligands based on the β‐blocker propranolol: The effect of explicit water molecules on binding and selectivities
Authors: Fagerström Alexandra , Liljefors Tommy , Sandgren Mats , Isaksson Roland , Ståhlberg Jerry , Berg Ulf 
Published: May 2023

AbstractProteins are useful chiral selectors. In order to understand the recognition mechanism and chiral discrimination, the binding of the (R)‐ and (S)‐enantiomers of a series of designed amino alcohol inhibitors based on propranolol to cellobiohydrolase Cel7A (Trichoderma reesei) has been studied more closely. X‐ray crystal structures were determined of the protein complex with the (R)‐ and (S)‐enantiomers of the strongest binding propranolol analogue. The combination of the structural data, thermodynamic data from capillary electrophoresis and microcalorimetry experiments and computational modelling give a clearer insight into the origin of the enantioselectivity and its opposite thermodynamic signature. The new crystal structures were used in computational molecular flexible dockings of the propranolol analogues using the program Glide. The results indicated that several water molecules in the active site were essential for the docking of the (R)‐enantiomers but not for the (S)‐enantiomers. The results are discussed in relation to the enantiomeric discrimination of the enzyme. Both dissociation constants (Kd values) and thermodynamical data are included to show the effects of the structural modifications in the ligand on enthalpy and entropy in relation to the enantioselectivity.
Reflexive disclosure in qualitative research publications in school psychology (2006–2021)
Authors: Sabnis Sujay V. , Wolgemuth Jennifer R. 
Published: May 2023

AbstractQualitative researchers in school psychology are asked to reflect on how their identities, goals, and backgrounds influence their research studies, and to disclose these influences in their manuscripts. Given that reflexivity is a process and not an event, it can be challenging to decide what and how much about oneself, or selves, to disclose in a qualitative research manuscript. We, therefore, wanted to understand how school psychology researchers have communicated reflexivity in their published journal articles. We analyzed all qualitative articles published in seven school psychology journals between 2006 and 2021, focusing on the authors' written descriptions meeting the criteria of reflexive disclosure. We found an increase in the inclusion of reflexive disclosure over the years. We also found five types of disclosure researchers used to communicate reflexivity. We end with some critiques of the existing disclosure practices and make recommendations for strengthening reflexivity.
Autonomy support, personality, and mindset in predicting academic performance among early adolescents: The mediating role of self‐determined motivation
Authors: Mammadov Sakhavat , Tozoglu Dogan 
Published: May 2023

AbstractThere is a growing interest on the role of noncognitive factors such as personality traits and implicit beliefs in accounting for individual differences in academic performance. Autonomy support from primary socializing agents too is an important tool for enhancing student motivation and other learning outcomes. In this study, we tested a model hypothesizing that the broad personality traits of conscientiousness and openness, growth mindset, and perceived teacher and parent autonomy support would be distal predictors of academic performance, with self‐determined motivation proximally accounting for performance outcomes. Middle school students (N = 234) completed an online Qualtrics survey. Students' year‐end grade point averages for all subjects were used as an indicator of their academic performance. We found that conscientiousness had direct and indirect effects (through autonomous motivation) on academic performance. Openness, growth mindset, and parent autonomy support were indirectly associated with academic performance through their effects on autonomous motivation. The effect of teacher autonomy support on academic performance was mediated by both controlled motivation and autonomous motivation.
Effective charge of PNIPAM microgels determined by conductivity measurements
Authors: Campos‐Ramírez Adriana , Lozano‐Martínez Antelmo , Ledesma‐Motolinía Mónica , Rojas‐Ochoa Luis Fernando , Haro‐Pérez Catalina 
Published: May 2023

AbstractUnderstanding the effective charge of colloidal particles is crucial to control the stability and performance of a colloidal system. In particular, the electrostatic interaction potential between the particles determines the stability and thermodynamic properties of electrostatically charged colloidal dispersions. In the case of thermosensitive microgels, which are solvent and ions permeable particles, it is expected that the microgel's size and the number of ions within it are affected by temperature changes. This temperature‐dependent microgel‐solvent ion interchange regulates the microgel net charge and, consequently, the interaction potential. Here, a straightforward experimental method based on conductivity measurements is presented to determine the temperature dependence of the effective net charge of poly‐N‐isopropylacrylamide, PNIPAM, microgels under different salinity conditions. Our results show that the net charge of the microgel decreases with increasing temperature. Specifically, microgels reduce their net charge by around 40%, when the temperature is changed from 25 to 40 °C. This scenario could be explained by the entrance of counterions into the microgel after its collapse to partially neutralize the increase of the electrostatic repulsion due to the closer proximity among the charged groups present in the polymer particle.
One‐year clinical experience on the use of Nintedanib in systemic sclerosis
Authors: Magnani Luca , Spinella Amelia , Testoni Sofia , Lumetti Federica , Scelfo Chiara , Dardani Lucia , Bajocchi Gianluigi , Clini Enrico , Salvarani Carlo , Giuggioli Dilia 
Published: May 2023

AbstractWe reviewed 11 patients with systemic sclerosis‐related ILD who were referred to our Scleroderma Unit from January 2020 to January 2021 and started Nintedanib. Non‐specific interstitial pneumonia (NSIP) was prevalent (45%), usual interstitial pneumonia (UIP) and UIP/NSIP pattern were both 27%. Only one patient had a history of smoking. Eight patients were on mycophenolate mofetil (MMF), eight were treated with corticosteroids (mean dose 5 mg/day of Prednisone or equivalent), and three were on Rituximab. The mean modified British Council Medical Questionnaire (mmRC) decreased from 3 to 2.5. Two patients had to reduce their daily dose to 200 mg/day for severe diarrhoea. Nintedanib was generally well tolerated.
An Uncommon Solvent‐Controlled Photochromic Tetraphenylethylene‐Based Co‐crystal
Authors: Dai Renjun , Fan Zhiwen , Chen Shimin , Li Yunbin , Liu Chulong , Xiang Shengchang , Zhang Zhangjing 
Published: May 2023

AbstractA co‐crystal FJU‐182 with a closed cage structure with photochromic phenomenon was formed using a tetraphenylene derivatives 4,4′,4′′,4′′′‐(anthracene‐9,10‐diylidenebis(methanediyl‐ylidene))tetrabenzoic acid self‐assembled with 1,3‐di(4‐pyridyl)propane in a solvent. It was also found that isomorphic crystals grown from different solvents exhibited different fluorescence. The electron paramagnetic resonance and X‐ray photoelectron spectroscopy data showed that the photochromic mechanism of crystal FJU‐182 was due to photoinduced electron transfer, while the different color change of crystals grown from different solvents was attributed to the size of solvent molecules. The I−V curves of the crystals FJU‐182 before and after illumination were also tested, and it was found that the conductivity of the crystals before the color change would be 3–8 times higher than the conductivity of the crystals after the color development. FJU‐182 provides a new case for electrochemical devices with photoelectric response.
Quasicrystals in QCD
Authors: Qiu Zebin , Nitta Muneto 
Published: May 2023

Abstract
We study the ground state of the low energy dense QCD with the assumption of chiral condensates of quarks. Under an external magnetic field, mesons could form soliton lattices via the chiral anomaly. For such scenarios, we present a unified description of pions and η meson with a U(2) field in the framework of the chiral perturbation theory. Our result shows the ground state is a mixture of the magnetized domain walls formed by neutral pion π0 and η meson when they coexist. The winding number of the ground state would alter according to the strength of the magnetic field. When the magnetic field is strong or the chemical potential is large, the proportion of the mixture is determined by the decay constants and the contributions to the anomalous action of π0 and η meson. The resulting configuration is either a mixed soliton lattice or a quasicrystal which could be dubbed a “chiral soliton quasicrystal”.
Thermal production of cold “hot dark matter” around eV
Authors: Yin Wen 
Published: May 2023

Abstract
A very simple production mechanism of feebly interacting dark matter (DM) that rarely annihilates is thermal production, which predicts the DM mass around eV. This has been widely known as the hot DM scenario. Despite there are several observational hints from background lights suggesting a DM in this mass range, the hot DM scenario has been considered strongly in tension with the structure formation of our Universe because the free-streaming length of the DM produced from thermal reactions was thought to be too long. In this paper, I show that the previous conclusions are not always true depending on the reaction for bosonic DM because of the Bose-enhanced reaction at very low momentum. By utilizing a simple 1 ↔ 2 decay/inverse decay process to produce DM, I demonstrate that eV range bosonic DM can be thermally produced in a cold manner from a hot plasma through a model-independent analysis applicable to axion, hidden photon, and other bosonic DM candidates. As a result, bosonic DM in the eV mass range may still be unique and theoretically well-motivated. I also discuss some caveats arising from this phenomenon in the freeze-in production of DM, and present a related system that can suppress the hot plasma with thermal reaction.
Bakterielle Zoonosen mit Bedeutung für den öffentlichen Gesundheitsschutz in Deutschland – Vorkommen, Verbreitung und Übertragungswege
Authors: Wilking Hendrik , Beermann Sandra , Boone Ides , Dreesman Johannes , Fingerle Volker , Gethmann Jörn , Lachmann Raskit , Lamparter Marina , Mayer-Scholl Anne , Meinen Anika , Schöl Meike , Suwono Beneditta 
Published: May 2023

ZusammenfassungBakterielle zoonotische Erreger sind häufig Auslöser von Erkrankungen mit teilweise schweren Verläufen. Sie sind wechselseitig zwischen Tieren (sowohl Wild- als auch Haustieren) und Menschen übertragbar. Die Transmissionswege sind sehr variabel, so kann die Übertragung u. a. durch orale Aufnahme über Lebensmittel, respiratorische Aufnahme über Tröpfchen und Aerosole sowie über Vektoren wie Zeckenstiche oder Nagerkontakte stattfinden. In diesem Zusammenhang sind auch das Auftreten und die Verbreitung von antibiotikaresistenten bakteriellen Erregern von zunehmender Bedeutung für den öffentlichen Gesundheitsschutz.Die Ausbreitung zoonotischer Erreger wird aktuell durch zahlreiche Faktoren verstärkt. Dazu gehören die Zunahme des internationalen Warenverkehrs, die Einengung der Lebensräume von Tieren und der dadurch zunehmend engere Kontakt zwischen Menschen und Wildtieren. Aber auch eine veränderte Tierhaltung in der Landwirtschaft und Klimaveränderungen können zur Ausbreitung beitragen. Der öffentliche Gesundheitsschutz und die Erforschung von Zoonosen sind deshalb von besonderer krankheitspräventiver, aber auch gesellschaftlicher, politischer und wirtschaftlicher Bedeutung.Ziel dieses Übersichtsartikels ist es, anhand von Beispielen die Spannbreite von Infektionskrankheiten darzustellen, die durch bakterielle zoonotische Erreger ausgelöst werden. Die unterschiedlichen Transmissionswege, epidemischen Potenziale und epidemiologischen Maßzahlen der beispielhaft gewählten Krankheiten sind Herausforderungen für den öffentlichen Gesundheitsdienst, den Tiergesundheitsdienst und die Lebensmittelüberwachung, deren Aufgabe es ist, die Bevölkerung vor diesen Infektionskrankheiten zu schützen.
New insights into the pre-ignition behavior of methane behind reflected shock waves
Authors: Caravaca-Vilchez J. , Heufer K. A. 
Published: May 2023

AbstractPre-ignition is an undesired combustion event known to restrict kinetic modeling validation. Previous methane oxidation studies reported premature ignition as part of ignition delay time measurements in shock tubes. In this context, the effect on the pre-ignition propensity and auto-ignition behavior of stoichiometric methane mixtures at different dilution levels of $$\hbox {N}_2$$

N
2

, Ar, He, and $$\hbox {CO}_2$$

CO
2

was studied at 10 bar and 25 bar and temperatures between 1080 K and 1350 K. In addition to conventional sidewall pressure and endwall light emission measurements, a high-speed imaging setup was utilized to visualize the ignition process. Relevant physicochemical parameters to describe and predict the pre-ignition phenomenon were used. The results suggest that dilution levels up to $$80\%$$

80
%

of bath gas are not successful in mitigating early ignition occurrence and its effects at moderate pressures. Replacing $$\hbox {N}_2$$

N
2

by He was found to suppress early ignition at 10 bar, attributed to an enhanced dissipation of temperature inhomogeneities in the test gas section. The present findings demonstrate that $$\hbox {CO}_2$$

CO
2

has potential for pre-ignition heat release mitigation, while Ar was confirmed to promote premature ignition. To the best of our knowledge, we present the first detailed study on pre-ignition mitigation for methane mixtures in shock tubes, where further insights into its ignition non-idealities are given.
Bacterial communities associated with corals out-planted on the Great Barrier Reef are inherently dynamic over space and time
Authors: Strudwick Paige , Seymour Justin , Camp Emma F. , Roper Christine , Edmondson John , Howlett Lorna , Suggett David J. 
Published: May 2023

AbstractCoral propagation and out-planting are becoming commonly adopted as part of reef stewardship strategies aimed at improving reef resilience through enhanced natural recovery and rehabilitation. The coral microbiome has a crucial role in the success of the coral holobiont and can be impacted shortly after out-planting. However, long-term characterisation of the out-plant microbiome in relation to out-plant survival, and how these properties vary across reef sites, is unexplored. Therefore, at three reef sites on Opal Reef, Great Barrier Reef (Mojo, Sandbox and Rayban, 16°12′18″S 145°53′54″E), we examined bacterial communities associated with out-planted Acropora millepora coral and monitored coral survival over 12 months (February 2021–22). Bacterial communities of out-planted corals exhibited significant changes from donor colonies 7 days to 1.5 months after out-planting. Further, bacterial community composition differed for sites Sandbox and Rayban with low overall survival (0–43%) versus Mojo with higher overall survival (47–75%). After initial dissimilarity in bacterial communities of out-plants across sites at 1.5 months, and despite changes within sites over time, out-plants exhibited similar microbial communities across sites at 7 days and 6, 9 and 12 months. We hypothesise these trends reflect how bacterial communities are shaped by rapid changes in local environmental characteristics (e.g. from source to out-planting site), where out-plant bacterial communities ‘conform’ to out-planting site conditions. After initial changes, out-plant bacterial communities may then be under the influence of global environmental conditions—such as annual trends in temperature across seasons. Such outcomes indicate the importance of site selection in shaping initial coral bacterial communities and subsequent out-plant success. Importantly, continued differences in out-plant survival trajectory but similar bacterial communities across sites after 1.5 months indicate that other factors—apart from bacterial community changes—likely govern out-plant success in the longer term. Our research highlights the need to resolve drivers of small-scale site differences alongside higher resolution spatiotemporal monitoring of environmental conditions to distinguish key drivers of (i) microbial change during out-planting and (ii) out-plant survival to subsequently inform out-plant site selection to optimise future restoration efforts.
Comprehension of own and other species’ alarm calls in sooty mangabey vocal development
Authors: León Julián , Thiriau Constance , Crockford Catherine , Zuberbühler Klaus 
Published: May 2023

AbstractPrimates understand the meaning of their own and other species’ alarm calls, but little is known about how they acquire such knowledge. Here, we combined direct behavioural observations with playback experiments to investigate two key processes underlying vocal development: comprehension and usage. Especifically, we studied the development of con- and heterospecific alarm call recognition in free-ranging sooty mangabeys,Cercocebus atys, across three age groups: young juveniles (1–2y), old juveniles (3–4y) and adults (> 5y). We observed that, during natural predator encounters, juveniles alarm called to a significantly wider range of species than adults, with evidence of refinement during the first four years of life. In the experiments, we exposed subjects to leopard, eagle and snake alarm calls given by other group members or sympatric Diana monkeys. We found that young juveniles’ locomotor and vocal responses were least appropriate and that they engaged in more social referencing (look at adults when hearing an alarm call) than older individuals, suggesting that vocal competence is obtained via social learning. In conclusion, our results suggest that alarm call comprehension is socially learned during the juvenile stage, with comprehension preceding appropriate usage but no difference between learning their own or other species’ alarm calls.Significance statementUnder natural conditions, animals do not just interact with members of their own species, but usually operate in a network of associated species. However, ontogenetic research on primate communication frequently ignores this significant element. We studied the development of con- and heterospecific alarm call recognition in wild sooty mangabeys. We found that communicative competence was acquired during the juvenile stages, with alarm call comprehension learning preceding appropriate vocal usage and with no clear difference in learning of con- and heterospecific signals. We also found that, during early stages of life, social referencing, a proactive form of social learning, was key in the acquisition of competent alarm call behaviour. Our results show that primates equally learn to interpret alarm calls from their own and other species during their early stages of life and that this learning process is refined as the animals mature.
A four-oscillator model of seasonally adapted morning and evening activities in Drosophila melanogaster
Authors: Yoshii Taishi , Saito Aika , Yokosako Tatsuya 
Published: May 2023

AbstractThe fruit fly Drosophila melanogaster exhibits two activity peaks, one in the morning and another in the evening. Because the two peaks change phase depending on the photoperiod they are exposed to, they are convenient for studying responses of the circadian clock to seasonal changes. To explain the phase determination of the two peaks, Drosophila researchers have employed the two-oscillator model, in which two oscillators control the two peaks. The two oscillators reside in different subsets of neurons in the brain, which express clock genes, the so-called clock neurons. However, the mechanism underlying the activity of the two peaks is complex and requires a new model for mechanistic exploration. Here, we hypothesize a four-oscillator model that controls the bimodal rhythms. The four oscillators that reside in different clock neurons regulate activity in the morning and evening and sleep during the midday and at night. In this way, bimodal rhythms are formed by interactions among the four oscillators (two activity and two sleep oscillators), which may judiciously explain the flexible waveform of activity rhythms under different photoperiod conditions. Although still hypothetical, this model would provide a new perspective on the seasonal adaptation of the two activity peaks.
EAONO/JOS classification for acquired cholesteatoma: evaluating the impact of the number of affected sites on treatment and outcomes
Authors: Renner B. , Vasconcelos Craveiro A. , Balk M. , Allner M. , Sievert M. , Mueller S. K. , Mantsopoulos K. , Iro H. , Rupp R. , Hornung J. , Gostian A. O. 
Published: May 2023

Abstract
Purpose
The European and Japanese system for cholesteatoma classification proposed an anatomical differentiation in five sites. In stage I disease, one site would be affected and in stage II, two to five. We tested the significance of this differentiation by analyzing the influence of the number of affected sites on residual disease, hearing ability and surgical complexity.

Methods
Cases of acquired cholesteatoma treated at a single tertiary referral center between 2010-01-01 and 2019-07-31 were retrospectively analyzed. Residual disease was determined according to the system. The air–bone gap mean of 0.5, 1, 2, 3 kHz (ABG) and its change with surgery served as hearing outcome. The surgical complexity was estimated regarding the Wullstein’s tympanoplasty classification and the procedure approach (transcanal, canal up/down).

Results
513 ears (431 patients) were followed-up during 21.6 ± 21.5 months. 107 (20.9%) ears had one site affected, 130 (25.3%) two, 157 (30.6%) three, 72 (14.0%) four and 47 (9.2%) five. An increasing number of affected sites resulted in higher residual rates (9.4–21.3%, p = 0.008) and surgical complexity, as well poorer ABG (preoperative 14.1 to 25.3 dB, postoperative 11.3–16.8 dB, p < 0.001). These differences existed between the means of cases of stage I and II, but also when only considering ears with stage II classification.

Conclusion
The data showed statistically significant differences when comparing the averages of ears with two to five affected sites, questioning the pertinence of the differentiation between stages I and II.