bluuebunny/crossref_metadata_2025_split huggingface dataset:
Crystal structure of Arabidopsis DWARF14‐LIKE2 (DLK2) reveals a distinct substrate binding pocket architecture
Authors: Bürger Marco , Honda Kaori , Kondoh Yasumitsu , Hong Sharon , Watanabe Nobumoto , Osada Hiroyuki , Chory Joanne 
Published: September 2022

AbstractIn Arabidopsis thaliana, the Sigma factor B regulator RsbQ‐like family of α/β hydrolases contains the strigolactone (SL) receptor DWARF14 (AtD14), the karrikin receptor KARRIKIN INSENSITIVE2 (AtKAI2), and DWARF14‐LIKE2 (AtDLK2), a protein of unknown function. Despite very similar protein folds, AtD14 and AtKAI2 differ in size and architecture of their ligand binding pockets, influencing their substrate specificity. We present the 1.5 Å crystal structure of AtDLK2, revealing the smallest ligand binding pocket in the protein family, bordered by two unique glycine residues. We identified a gatekeeper residue in the protein's lid domain and present a pyrrolo‐quinoline‐dione compound that inhibits AtDLK2's enzymatic activity.
Aromaticity study of singlet‐ and triplet‐state corannulene dianion and dication
Authors: Aleksić Jovana , Stojanović Milovan , Baranac‐Stojanović Marija 
Published: September 2022

AbstractAromaticity rules in the ground singlet state and the first excited triplet state are exactly opposite, as shown by Baird. Thus, (4n + 2)π electron annulenes are antiaromatic and 4nπ annulenes are aromatic in their triplet state. In this work, we employ quantum‐mechanical calculations at the density functional theory (DFT) level to examine (anti)aromaticity of singlet and triplet corannulene dianion and dication in their bowl‐shaped ground‐state structure and planar transition‐state structure. We find that singlet dianion contains aromatic hub and antiaromatic rim, whereas singlet dication is an antiaromatic system. This agrees with previous calculations of current density induced by perpendicular magnetic field. For triplet dianion, we find that it can be described as having aromatic rim and nonaromatic hub. Triplet dication was found to be nonaromatic, though in planar transition‐state structure, locally and semiglobally antiaromatic naphthalene subunit and aromatic central ring can be discerned.
Knowledge domain and emerging trends in brachytherapy: A scientometric analysis
Authors: Ghazbani Arash , Abdolahi Mohammad , Mansourzadeh Mohammad Javad , BasirianJahromi Reza , Behzadipour Sina , Mohseni Azad Anali , Talebzadeh Bardia , Khosravi Abdolrasoul , Hamidi Ali 
Published: September 2022

AbstractObjectiveAssessing the current scientific situation helps to recognize the gaps and strengths of brachytherapy research projects. This research project was conducted to assess the knowledge domain and emerging trends in brachytherapy through a scientometric perspective.MethodsFor the present research, the Web of Science database was considered as the data source. Integrated data was transferred to Bibliometrix R Package V3.1. In this study, the scientometric approach was performed by CiteSpace 5.8.R3 to draw the trends and signify issues in the research area. Eventually, scientometric indicators were evaluated at the level of authors, documents, journals, organizations, and countries.ResultsA total of 31,362 documents from 64,740 Independent researchers were retrieved. The United States, Germany, and Canada were the most active countries in brachytherapy‐related research projects. In the present study, Luc Beaulieu, Christine Kirisits, and Ronald Nath were identified as the most influential authors. Eventually, keywords clusters were constructed by using the method of co‐citation analysis. In this case, the main clusters were cervical cancer and prostate cancer.ConclusionAssessing the scientific trends in brachytherapy indicated that new insights have been gained into this cancer treatment technique. In this case, development of computer applications and artificial intelligence alongside deep learning utilization provides new horizons for oncology and radiotherapy researchers.
Systematic comparison of 1D and 2D hydrodynamic models for the assessment of hydropeaking alterations
Authors: Bürgler Matthias , Vetsch David F. , Boes Robert M. , Vanzo Davide 
Published: September 2022

AbstractNumerical hydrodynamic models enable the simulation of hydraulic conditions under various scenarios and are thus suitable tools for hydropeaking related assessments. However, the choice of the necessary model complexity and the consequences of modelling choices are not trivial and only few guidelines exist. In this study, we systematically evaluate numerical one‐dimensional (1D) and two‐dimensional (2D) hydrodynamic models with varying spatial resolution regarding their suitability as input for hydropeaking‐sensitive, ecologically relevant hydraulic parameters (ERHPs), and their computational efficiency. The considered ERHPs include the vertical dewatering velocity, the wetted area variation between base and peak flow and the bed shear stress as a proxy for macroinvertebrate drift. Furthermore, we quantified the habitat suitability of brown trout for different life stages. The evaluation is conducted for three channel planforms with morphological characteristics representative for regulated Alpine Rivers, ranging from alternating bars to a braiding river morphology. For the prediction of habitat suitability and bed shear stress, a 1D model appears to be always insufficient, and a highly resolved 2D model is suggested. Reducing the spatial resolution of 2D models leads to computational efficiency similar to 1D, while providing more accurate results. Thus, our results suggest, that while a highly resolved 1D model is sufficient for accurate predictions of the dewatering velocity and wetted area in the less complex alternating bar morphology, a 2D model is recommended for more complex wandering or braiding morphologies. This study can serve as guideline for researchers and practitioners in the selection and setup of hydrodynamic models for hydropeaking.
The influence of renewable energy and economic freedom aspects on ecological sustainability in the G7 countries
Authors: Alola Andrew Adewale , Doganalp Nihat , Obekpa Hephzibah Onyeje 
Published: September 2022

AbstractWith the exemption of Canada, the G‐7 countries have largely flourished at the detriment of their ecological sustainability bearing in mind that these countries' have remained ecologically deficit for several decades. Given the potential effect of environmental degradation associated with the trend of ecological deficit of these countries, this study attempts to understand the contribution of renewable energy dimensions through the measure of renewable energy efficiency and renewable energy use alongside evaluating the role of the four main aspects of economic freedom. By using empirical tools, the findings revealed that renewable energy aspects contribute to environmental sustainability among the countries through a significant mitigation of their ecological footprint. Importantly, the aspects of economic freedom, that is, government size, legal system and property rights, freedom to trade internationally, and regulation hampers environmental sustainability by increasing the countries ecological footprint. The elasticity of impact of this dimension of economic freedom is in the range of 0.19–0.21 at 1% statistically significant level. However, population of these countries does not show a detrimental effect, rather the finding revealed that population improves environmental quality by a statistically significant degree. Given these revelations, there are deducible policy take home from this study.
Design, Synthesis, and Biological Study of Novel Farnesoid X Receptor Agonist for the Treatment of Cholestatic Liver Disease
Authors: Wang Han , Sun Yating , Li Hewei , Yang Shengli , Yi Wen 
Published: September 2022

AbstractFarnesoid X receptor (FXR) plays an important role in regulating bile acid homeostasis, which is considered as an innovative target for cholestasis. In this study, we have hybrid FXR agonists LY2562175 with GW4064, and we introduced the urea linker to avoid the potentially toxic scaffold stilbene in GW4064. These efforts provided FXR partial agonist 1 (EC50=282 nM, efficacy=70 %), which binds very tightly to the pocket of FXR by forming an ionic bond with Arg331, the residue is vital to the activity of FXR. Indeed, compound 1 exhibited little cytotoxicity in the MTT assay. Moreover, compound 1 revealed a comparative protective effect against ANIT‐induced cholestasis to that of obeticholic acid, the most advanced FXR agonist in this field. Further studies exhibited that partial agonist 1 exerts multiple synergetic mechanisms on bile acid homeostasis in vivo: 1) Decreasing hepatic uptake and increasing efflux of bile acids by regulating the gene expression of Ntcp, Bsep, and Mrp2. 2) Reducing hepatic bile acid synthesis by inhibiting the expressions of Cyp7a1 and Cyp8b1. 3) Increasing hepatic bile acid metabolism by promoting gene expression of Sult2a1. In conclusion, these results suggested that compound 1 is a promising FXR partial agonist suitable for further study.
Divergent Crystallographic Architecture for Silver‐Flavin Complexes Induced via pH Variation
Authors: Vinod Mouli M. S. S. , Kumar Mishra Ashutosh 
Published: September 2022

AbstractHerein we report solid state analysis of the silver‐flavin complexes grown under different chemical environments‐neutral (complex 1), acidic (complex 2) and basic (complex 3) mediums. While preferred and frequently reported primary coordination is observed in all three cases; involvement of rare secondary coordination in 2 and deprotonated carboxyl functionality of the modified flavin in 3 for silver ion coordination results in discrete, zig‐zag and ribbon‐like architecture. Crystallographically unique silver ions, anion‐pi/lone pair‐pi interactions and the argentophilic interactions are some of the unique features observed for silver‐flavin complexes. Notably, such extended geometry involving flavin moiety is scarcely reported and these results expand the unexplored coordination horizon of the flavin entities.
1,2‐Bis(diphenylphosphino)ethane (dppe)/NBS: An Unprecedented Combination for Deoxygenation of Sulfoxides Under Mild Conditions
Authors: Joshi Asha , Iqbal Zafar , De Saroj Ranjan 
Published: September 2022

AbstractA novel, efficient and metal‐free strategy for the deoxygenation of sulfoxides to sulfides has been disclosed under mild conditions using dppe/NBS reagent system. Among several developed methods using phosphine based ligands, very few are convenient as most of them are confined to harsh reaction conditions, inseparable side products, moderate yields, and the use of costly and toxic reagents. The developed dppe/NBS promoted deoxygenation strategy tolerates a wide range of functional groups to afford good yields of desired sulfides.
Encapsulation of Dual‐Passivated Perovskite Quantum Dots for Bio‐Imaging
Authors: Song Wentao , Wang Dandan , Tian Jianwu , Qi Guobin , Wu Min , Liu Shitai , Wang Tongtong , Wang Bing , Yao Yingfang , Zou Zhigang , Liu Bin 
Published: September 2022

AbstractDue to their marvelous electrical and optical properties, perovskite nanocrystals have reached remarkable landmarks in solar cells, light‐emitting diodes, and photodetectors. However, the intrinsic instability of ionic perovskites, which would undergo an undesirable phase transition and decompose rapidly in ambient humidity, limits their long‐term practical deployment. To address this challenge, halogenated trimethoxysilane as the passivation additive is chosen, which utilizes simultaneous halide and silica passivation to enhance the stability of perovskite nanoparticles via a dual‐passivation mechanism. The processable nanoparticles show high photoluminescence quantum yield, tunable fluorescence wavelength, and excellent resistance against air and water, highlighting great potential as green to deep‐red bio‐labels after further phospholipid encapsulation. This work demonstrates that the dual‐passivation mechanism could be used to maintain the long‐term stability of ionic crystals, which sheds light on the opportunity of halide perovskite nanoparticles for usage in a humid environment.
Cryptanalysis and improvement of REAS‐TMIS: Resource‐efficient authentication scheme for telecare medical information system
Authors: Kumar C Madan , Amin Ruhul , Brindha M 
Published: September 2022

AbstractRecently, Tanveer et al. proposed a resource‐efficient authentication scheme for telecare medical information systems employing the authenticated key exchange. Tanveer et al. vehemently claimed that the protocol is safe against smart card stolen attacks, password guessing attacks, anonymity and untraceability, replay attacks, man‐in‐the‐middle attacks, impersonation attacks, and so forth. We have scrutinized the Tanveer et al. protocol. Based on his attack model, we have analyzed that this protocol is not secured against session key disclosure attacks, privileged insider attacks, and medical server impersonation attacks. We have also discussed improvement mechanisms to protect the mentioned security threats.
Isolation and Characterization of Cellulose Nanocrystals from Waste Cotton Fibers Using Sulfuric Acid Hydrolysis
Authors: Soleimani Soraya , Heydari Amir , Fattahi Moslem 
Published: September 2022

AbstractCellulose nanocrystals (CNCs) are one of the most useful materials that have recently been used in various fields. There are many natural resources on earth from which CNC can be extracted in a variety of methods. This study focuses on the extraction of CNCs from waste cotton fibers (WCFs) by sulfuric acid hydrolysis. Physicochemical characterization of the synthesized CNCs was examined by different techniques. The results revealed good performance and properties for synthesized CNCs. Fourier transform infrared spectroscopy (FTIR) analysis demonstrated the successful synthesis of CNCs by acid hydrolysis without the formation of byproducts or further degradation. X‐ray diffraction (XRD) analysis showed that the crystallinity index increased from 79.87 to 88.37% during the conversion of WCFs to CNCs. The rod‐like morphology structure of CNC was confirmed using microscopic techniques. The AFM results for CNCs showed a length and diameter of 170 ± 60 nm and 25 ± 10 nm, respectively. Also, DLS measurements showed high stability of CNCs in aqueous solution. Moreover, due to the presence of 0.74 weight% of sulfur in the CNC backbone, CNCs showed lower thermal stability at 170–348 °C compared to WCFs.
Personalbezogene Befugnisse von Schulleiterinnen und Schulleitern
Authors: Schewe Claudia Manuela , Thiel Felicitas 
Published: September 2022

ZusammenfassungPersonalentwicklung als schulische Führungsaufgabe ist an die Übertragung von Dienstvorgesetztenbefugnissen gebunden, die grundsätzlich der Schulaufsicht als der dienstvorgesetzten Stelle obliegen. Eine Übertragung von Dienstvorgesetztenfunktionen auf Schulleiterinnen und Schulleiter wurde Anfang der 2000er Jahre in unterschiedlichen Modellversuchen erprobt und teilweise in den Regelbetrieb übernommen.An Beispielen wird ein Spektrum unterschiedlicher für Personalentwicklung relevanter Dienstvorgesetztenfunktionen beschrieben, die in den letzten Jahren auf Schulleiterinnen und Schulleiter übertragen wurden.
Reflected entropy and entanglement negativity for holographic moving mirrors
Authors: Basak Jaydeep Kumar , Basu Debarshi , Malvimat Vinay , Parihar Himanshu , Sengupta Gautam 
Published: September 2022

Abstract
We investigate the time evolution of reflected entropy and entanglement negativity for mixed state configurations involving two adjacent and disjoint intervals in the radiation flux of moving mirrors by utilizing the AdS/BCFT duality. These measures are computed for the required mixed state configurations by using the respective replica techniques in the large central charge limit of the BCFT1+1. We demonstrate that the results obtained exactly agree with the corresponding holographic computations in the dual bulk AdS3 geometry with an end of the world brane. In this context, the analogues of the Page curves for these measures are obtained for the required configurations in the radiation flux of kink and escaping mirrors which mimic the Hawking radiation from evaporating and eternal black holes respectively.
Die Reform des Betreuungsrechts
Authors: Henking Tanja 
Published: September 2022

ZusammenfassungDie Betreuungsrechtsreform ist beschlossen! Zum 01.01.2023 tritt sie in Kraft. Das Betreuungsrecht wird in seiner inhaltlichen Ausrichtung nicht völlig neu aufgestellt. Das Spannungsverhältnis zwischen dem Schutz der Person vor einer nicht eigenverantwortlichen Entscheidung und der Selbstbestimmung der Person wird konsequent weitergedacht und die Selbstbestimmung der betroffenen Person gestärkt. Unterstützende Entscheidungsfindung, die Befolgung von Wünschen und die Aufgabe des Begriffs „Wohl“ als Maßstab für das Betreuerhandeln sind einige Beispiele hierfür. Das neue Recht zieht auch Grenzen bei der Befolgung von Wünschen. Nämlich dann, wenn mit ihnen die Gefahr einer erheblichen Schädigung der Person oder ihres Vermögens einhergeht. Der Beitrag stellt zunächst wesentliche Ziele der Reform dar. Hiervon ausgehend werden Schwerpunkte gesetzt, die für die psychiatrische Praxis relevant erscheinen: die Streichung des Worts „Wohl“, die Regelung der Vorsorgevollmacht, Maßnahmen zur stärkeren Beachtung und zur besseren Umsetzung des im Betreuungsrecht zentralen Grundsatzes der Erforderlichkeit. Kritisch wird Stellung bezogen zum neu eingefügten Ehegattenvertretungsrecht. Im Ergebnis bleibt festzustellen, dass im Bereich der Gesundheitssorge und erst recht im Bereich der Zwangsmaßnahmen für die Praxis recht wenig bedeutsame Änderungen eintreten werden. Ob sich das begrüßenswerte Anliegen des Gesetzgebers verwirklicht, Betreuungen durch eine verbesserte Information und Beratung zu sozialen Rechten und Ansprüchen zu vermeiden, wird die Praxis erst noch zeigen müssen. Gleiches gilt sicherlich auch für eine Stärkung der Entscheidungsunterstützung, eine Idee, die ebenfalls zu begrüßen ist, für die die Praxis aber noch nach einem Goldstandard sucht.
An age-related decline in the cholinergic synaptic response may cause the firing pattern in the jaw-closing motor neurons, which resembles the aversive taste response in the feeding behavior of old Aplysia kurodai
Authors: Nagahama Tatsumi , Muramatsu Motohiro , Nagahama Setsuko 
Published: September 2022

AbstractAnorexia due to aging is recognized as a syndrome of animal feeding behavior. Age-related functional disorders of the brain often cause behavioral changes. We used Aplysia kurodai to study this neural mechanism, following our previous study on food preference behaviors. The age of each wild animal was defined by a previously described method, and a significant age-related decline in food intake was observed. In this study, we explored the effects of aging on a specific inhibitory synaptic response in jaw-closing (JC) motor neurons produced by cholinergic multiaction (MA) neurons, the size of which determines the delay between MA and JC firings and this delay is reduced during aversive taste responses; in our analyses, we found a significant age-related decline in the synaptic response. Thereafter, we further explored whether such functional decline affects the JC firing pattern during the normal feeding response. During the feeding-like rhythmic responses induced by electrical nerve stimulation, the firing of the JC motor neurons advanced toward that of the MA burst, which typically happens during aversive taste responses. These results suggest that the age-related decline in the cholinergic synaptic response may partly cause the JC firing patterns that resemble the aversive taste response in old animals.
Information theoretic and neural computational tools for meta-analysis of cumulative databases in the age of Big Physics experiments
Authors: Murari A. , Lungaroni M. , Spolladore L. , Peluso E. , Rossi R. , Gelfusa M. 
Published: September 2022

AbstractIn the era of Big Data, many scientific disciplines and engineering activities rely on cumulative databases, consisting of many entries derived from different experiments and studies, to investigate complex problems. Their contents can be analysed with much finer granularity than with the usual meta-analytic tools, based on summary statistics such as means and standard deviations. At the same time, not being primary studies, also traditional statistical techniques are not adequate to investigate them. New meta-analysis methods have therefore been adapted to study these cumulative databases and to ensure their validity and consistency. Information theoretic and neural computational tools represent a series of complementary techniques, which can be deployed to identify the most important variables to analyse the problem at hand, to detect whether quantities are missing and to determine the coherence between the entries provided by the individual experiments and studies. The performances of the developed methodologies are verified with a systematic series of tests with synthetic data. An application to thermonuclear fusion proves the capability of the tools to handle real data, in one of the most complex fields of modern physics.
Serum metal ion levels following spinal deformity surgery: a case-control study of 182 individuals
Authors: Fell Daniel , Diarbakerli Elias , Gerdhem Paul 
Published: September 2022

Abstract
Purpose
The aim of this study is to evaluate the levels of chromium (Cr), cobalt (Co), and titanium (Ti) after instrumented fusion for scoliosis.

Methods
Serum samples were collected at median 2.24 (range 0.1–38.8) years after fusion surgery for scoliosis in 91 individuals, of which 71 had been treated with steel implants and 20 with titanium implants. 91 sex and age-matched non-surgically treated individuals with scoliosis were used as controls. Levels of Cr, Co, and Ti were measured.

Results
In the 91 surgically treated individuals median levels of Cr were 0.54 µg/l vs 0 µg/l in the 91 controls, p < 0.001. Corresponding results for Co were 0.29 µg/l vs. 0.24 µg/l, p = 0.19, and for Ti were 0 µg/l vs. 0 µg/l, p < 0.001.
In the individuals with steel implants and their corresponding controls median Cr levels were 0.63 µg/l vs. 0.00 µg/l, p < 0.001 and Co levels 0.27 µg/l vs. 0.23 µg/l, p = 0.36. No Ti was detected.
In the individuals with titanium implants, median Cr levels were 0 µg/l vs. 0 µg/l in their corresponding controls, p = 0.38. Corresponding results for Co was 0.39 µg/l vs. 0.31 µg/l, p = 0.27 and for Ti 4.31 µg/l vs. 0 µg/l, p < 0.001.
In the individuals with steel implants a negative correlation between implant time in situ and levels of Cr was found ($$\rho$$
ρ
= − 0.52, p < 0.001) but not with Co ($$\rho$$
ρ
= − 0.14, p = 0.23). Ti was not detected.
In the individuals with titanium implants, there was no correlation between implant time in situ and levels of Cr ($$\rho$$
ρ
= 0.36, p = 0.12), Co ($$\rho$$
ρ
= − 0.12, p = 0.60) or Ti ($$\rho$$
ρ
= 0.22, p = 0.35).

Conclusion
The use of stainless steel and titanium implants in spinal fusion surgery is associated with elevated metal ion concentrations several years after surgery.