bluuebunny/crossref_metadata_2025 huggingface dataset:
Mean Field Theory of Self‐Organizing Memristive Connectomes
Authors: Caravelli Francesco , Milano Gianluca , Ricciardi Carlo , Kuncic Zdenka
Published: June 2023

Biological neuronal networks are characterized by nonlinear interactions and complex connectivity. Given the growing impetus to build neuromorphic computers, understanding physical devices that exhibit structures and functionalities similar to biological neural networks is an important step toward this goal. Self‐organizing circuits of nanodevices are at the forefront of the research in neuromorphic computing, as their behavior mimics synaptic plasticity features of biological neuronal circuits. However, an effective theory to describe their behavior is lacking. This study provides for the first time an effective mean field theory for the emergent voltage‐induced polymorphism of circuits of a nanowire connectome, showing that the behavior of these circuits can be explained by a low‐dimensional dynamical equation. The equation can be derived from the microscopic dynamics of a single memristive junction in analytical form. The effective model is tested on experiments of nanowire networks and show that it fits both the potentiation and depression of these synapse‐mimicking circuits. It is shown that this theory applies beyond the case of nanowire networks by formulating a general mean‐field theory of conductance transitions in self‐organizing memristive connectomes.
A Pro‐Fluorescent Ubiquitin‐Based Probe to Monitor Cysteine‐Based E3 Ligase Activity
Authors: Pérez Berrocal David A. , Vishwanatha Thimmalapura M. , Horn‐Ghetko Daniel , Botsch J. Josephine , Hehl Laura A. , Kostrhon Sebastian , Misra Mohit , Ðikić Ivan , Geurink Paul P. , van Dam Hans , Schulman Brenda A. , Mulder Monique P. C.
Published: June 2023

Protein post‐translational modification with ubiquitin (Ub) is a versatile signal regulating almost all aspects of cell biology, and an increasing range of diseases is associated with impaired Ub modification. In this light, the Ub system offers an attractive, yet underexplored route to the development of novel targeted treatments. A promising strategy for small molecule intervention is posed by the final components of the enzymatic ubiquitination cascade, E3 ligases, as they determine the specificity of the protein ubiquitination pathway. Here, we present UbSRhodol, an autoimmolative Ub‐based probe, which upon E3 processing liberates the pro‐fluorescent dye, amenable to profile the E3 transthiolation activity for recombinant and in cell‐extract E3 ligases. UbSRhodol enabled detection of changes in transthiolation efficacy evoked by enzyme key point mutations or conformational changes, and offers an excellent assay reagent amenable to a high‐throughput screening setup allowing the identification of small molecules modulating E3 activity.
Catalytic Chemistry Derived Artificial Solid Electrolyte Interphase for Stable Lithium Metal Anodes Working at 20 mA cm−2 and 20 mAh cm−2
Authors: Cheng Yifeng , Wang Zhijie , Chen Jinbiao , Chen Yuanmao , Ke Xi , Wu Duojie , Zhang Qing , Zhu Yuanmin , Yang Xuming , Gu Meng , Guo Zaiping , Shi Zhicong
Published: June 2023

A stable solid electrolyte interphase (SEI) layer is crucial for lithium metal anode (LMA) to survive in long‐term cycling. However, chaotic structures and chemical inhomogeneity of natural SEI make LMA suffering from exasperating dendrite growth and severe electrode pulverization, which hinder the practical application of LMAs. Here, we design a catalyst‐derived artificial SEI layer with an ordered polyamide‐lithium hydroxide (PA‐LiOH) bi‐phase structure to modulate ion transport and enable dendrite‐free Li deposition. The PA‐LiOH layer can substantially suppress the volume changes of LMA during Li plating/stripping cycles, as well as alleviate the parasitic reactions between LMA and electrolyte. The optimized LMAs demonstrate excellent stability in Li plating/stripping cycles for over 1000 hours at an ultra‐high current density of 20 mA cm−2 in Li||Li symmetric cells. A high coulombic efficiency up to 99.2 % in Li half cells in additive‐free electrolytes is achieved even after 500 cycles at a current density of 1 mA cm−2 with a capacity of 1 mAh cm−2.
Cesium Methylammonium Lead Iodide (CsxMA1−xPbI3) Nanocrystals with Wide Range Cation Composition Tuning and Enhanced Thermal Stability of the Perovskite Phase
Authors: Zhang Yangning , Aly Omar F. , De Gorostiza Anastacia , Shuga Aldeen Thana , Segapeli Allison J. , Korgel Brian A.
Published: June 2023

Cesium methylammonium lead iodide (CsxMA1−xPbI3) nanocrystals were obtained with a wide range of A‐site Cs‐MA compositions by post‐synthetic, room temperature cation exchange between CsPbI3 nanocrystals and MAPbI3 nanocrystals. The alloyed CsxMA1−xPbI3 nanocrystals retain their photoactive perovskite phase with incorporated Cs content, x, as high as 0.74 and the expected composition‐tunable photoluminescence (PL). Excess methylammonium oleate from the reaction mixture in the MAPbI3 nanocrystal dispersions was necessary to obtain fast Cs‐MA cation exchange. The phase transformation and degradation kinetics of films of CsxMA1−xPbI3 nanocrystals were measured and modeled using an Avrami expression. The transformation kinetics were significantly slower than those of the parent CsPbI3 and MAPbI3 nanocrystals, with Avrami rate constants, k, at least an order of magnitude smaller. These results affirm that A‐site cation alloying is a promising strategy for stabilizing iodide‐based perovskites.
Revealing Capacity Degradation of Ge Anodes in Lithium‐Ion Batteries Triggered by Interfacial LiH
Authors: Chen Guodong , Sun Jinran , Li Jiedong , Du Xiaofan , Xu Gaojie , Dong Shanmu , Cui Guanglei
Published: June 2023

The Germanium (Ge), as a fast‐charging and high specific capacity (1568 mAh g−1) alloy anode, is greatly hampered in practical application by poor cyclability. To date, the understanding of cycling performance degradation remains elusive. This study illustrates that, contrary to conventional beliefs, most of the Ge material in failed anodes still retains good integrity and does not undergo severe pulverization. It is revealed that capacity degradation is clearly correlated to the interfacial evolution of lithium hydride (LiH). Tetralithium germanium hydride (Li4Ge2H), as a new species derived from LiH, is identified as the culprit of Ge anode degradation, which is the dominant crystalized component in an ever‐growing and ever‐insulating interphase. The significantly increased thickness of the solid electrolyte interface (SEI) is accompanied by the accumulation of insulating Li4Ge2H upon cycling, which severely retards the charge transport process and ultimately triggers the anode failure. We believe that the comprehensive understanding of the failure mechanism presented in this study is of great significance to promoting the design and development of alloy anode for the next generation of lithium‐ion batteries.
Mechanistische Charakterisierung der Bakteriellen Sesterviriden‐Synthase aus Kitasatospora viridis
Authors: Xu Houchao , Schnakenburg Gregor , Goldfuss Bernd , Dickschat Jeroen S.
Published: June 2023

Ein Gen, das für ein Terpensynthase‐Homolog aus Kitasatospora viridis kodiert, wurde kloniert und in Escherichia coli exprimiert. Das gereinigte rekombinante Protein besaß Aktivität als Sesterterpensynthase und wandelte Geranylfarnesyldiphosphat (GFPP) mit einer Ausbeute von 19 % effizient in den Sesterterpen‐Kohlenwasserstoff Sesterviriden A um. Enzymatische Synthese im großen Maßstab ermöglichten auch die Isolierung von zwei Nebenprodukten, die mit sehr geringen Ausbeuten von ca. 0.1 % erhalten wurden. Mehrere Derivate von Sesterviriden A wurden durch chemische Umwandlungen erhalten, wodurch die NMR‐basierten Strukturzuordnungen gesichert wurden. Die absolute Konfiguration von Sesterviriden A wurde durch chemische Korrelation unter Verwendung stereoselektiv deuterierter Vorläufer und durch Röntgenkristallographie mit anomaler Dispersion bestimmt. Der Cyclisierungsmechanismus von GFPP zu Sesterviriden A wurde detailliert durch Isotopenmarkierungsexperimente und DFT‐Berechnungen untersucht.
Nanoparticle‐Decorated Biomimetic Extracellular Matrix for Cell Nanoencapsulation and Regulation
Authors: Lee Kyungsene , Davis Brandon , Wang Xuelin , Mirg Shubham , Wen Connie , Abune Lidya , Peterson Benjamin E. , Han Li , Chen Haoyang , Wang Hongjun , Szczesny Spencer E. , Lei Yuguo , Kothapalli Sri‐Rajasekhar , Wang Yong
Published: June 2023

Cell encapsulation has been studied for various applications ranging from cell transplantation to biological production. However, current encapsulation technologies focus on cell protection rather than cell regulation that is essential to most if not all cell‐based applications. Here we report a method for cell nanoencapsulation and regulation using an ultrathin biomimetic extracellular matrix as a cell nanocapsule to carry nanoparticles (CN2). This method allows high‐capacity nanoparticle retention at the vicinity of cell surfaces. The encapsulated cells maintain high viability and normal metabolism. When gold nanoparticles (AuNPs) are used as a model to decorate the nanocapsule, light irradiation transiently increases the temperature, leading to the activation of the heat shock protein 70 (HSP70) promoter and the regulation of reporter gene expression. As the biomimetic nanocapsule can be decorated with any or multiple NPs, CN2 is a promising platform for advancing cell‐based applications.
Anwendungen der C−H‐Aktivierung im präparativen Maßstab in der medizinischen Chemie
Authors: de Jesus Rita , Hiesinger Kerstin , van Gemmeren Manuel
Published: June 2023

Die C−H‐Aktivierung ist eine attraktive Methode zur Steigerung der molekularen Komplexität, ohne Vorfunktionalisierung des Substrats. Im Gegensatz zu den etablierten Kreuzkupplungsmethoden ist die C−H‐Aktivierung in großem Maßstab weniger erforscht und ihre Anwendung bei der Herstellung von Arzneimitteln ist mit erheblichen Hürden verbunden. Die inhärenten Vorteile, wie kürzere Synthesewege und einfachere Ausgangsmaterialien, motivieren Medizinal‐ und Prozesschemiker jedoch dazu, diese Herausforderungen zu überwinden und C−H‐Aktivierungsschritte für die Synthese pharmazeutisch relevanter Verbindungen zu nutzen. In diesem Aufsatz werden wir Beispiele von Arzneimitteln/Wirkstoffkandidaten behandeln, bei denen die C−H‐Aktivierung in einem präparativen Synthesemaßstab (zwischen 355 mg und 130 kg) durchgeführt wurden. Die Optimierungsprozesse werden beschrieben und jedes Beispiel wird im Hinblick auf seine Vor‐ und Nachteile untersucht, um dem Leser ein umfassendes Verständnis der Herausforderungen und des Potenzials von C−H‐Aktivierungsmethoden für die Herstellung von Arzneimitteln zu vermitteln.
Pure and Metal‐confining Carbon Nanotubes through Electrochemical Reduction of Carbon Dioxide in Ca‐based Molten Salts
Authors: Cao Jin , Jing Shuangxi , Wang Hongwei , Xu Wangyue , Zhang Mingen , Xiao Juanxiu , Peng Yuhao , Ning Xiaohui , Wang Zhangjie , Xiao Wei
Published: June 2023

To be successfully implemented, an efficient conversion, affordable operation and high values of CO2‐derived products by electrochemical conversion of CO2 are yet to be addressed. Inspired by the natural CaO‐CaCO3 cycle, we herein introduce CaO into electrolysis of SnO2 in affordable molten CaCl2‐NaCl to establish an in situ capture and conversion of CO2. In situ capture of anodic CO2 from graphite anode by the added CaO generates CaCO3. The consequent co‐electrolysis of SnO2 and CaCO3 confines Sn in carbon nanotube (Sn@CNT) in cathode and increases current efficiency of O2 evolution in graphite anode to 71.9 %. The intermediated CaC2 is verified as the nuclei to direct a self‐template generation of CNT, ensuring a CO2‐CNT current efficiency and energy efficiency of 85.1 % and 44.8 %, respectively. The Sn@CNT integrates confined responses of Sn cores to external electrochemical or thermal stimuli with robust CNT sheaths, resulting in excellent Li storage performance and intriguing application as nanothermometer. The versatility of the molten salt electrolysis of CO2 in Ca‐based molten salts for template‐free generation of advanced carbon materials is evidenced by the successful generation of pure CNT, Zn@CNT and Fe@CNT.
Mechanistic Characterisation of the Bacterial Sesterviridene Synthase from Kitasatospora viridis
Authors: Xu Houchao , Schnakenburg Gregor , Goldfuss Bernd , Dickschat Jeroen S.
Published: June 2023

A gene coding for a terpene synthase homolog from Kitasatospora viridis was cloned and expressed in Escherichia coli. The purified recombinant protein possessed sesterterpene synthase activity and efficiently converted geranylfarnesyl diphosphate (GFPP) with 19 % yield into the sesterterpene hydrocarbon sesterviridene A. Large scale enzymatic conversions also allowed for the isolation of two side products that are generated with very low yields of ca. 0.1 %. Several derivatives of sesterviridene A were obtained by chemical transformations, securing the NMR‐based structural assignments. The absolute configuration of sesterviridene A was determined by chemical correlation using stereoselectively deuterated precursors and by anomalous dispersion X‐ray crystallography. The cyclisation mechanism from GFPP to sesterviridene A was extensively studied through isotopic labelling experiments and DFT calculations.
Taguchi optimized sliding wear behavior and hardness of novelGrewia optiva/Basalt fiber reinforced hybrid polyester composites
Authors: Bijlwan Pramod Prabhakar , Prasad Lalta , Sharma Anshul , Kumar Sanjeev
Published: June 2023

This research paper investigated the hardness and tribological performance of novelGrewia optiva/Basalt fiber reinforced hybrid polymer composites. Two different configuration of hybrid composite that is, woven and chopped fiber reinforced composite are considered for the study. The chopped fiber configuration of the composite is further divided into two types based on fiber length and wt%. The fiber lengths studied are 6 and 12 mm while the wt% studied are 0, 6, and 12 wt%. Woven fiber reinforced composite is divided into five configurations based on wt% ofG. optivafiber with 0, 3, 6, 9, and 12 wt%. In all configurations, maximum fiber content of 12 wt% is maintained. B6/GO6 composite exhibits minimum specific wear rate and maximum hardness among all the compositions. Wear experimental results are analyzed by Taguchi optimization technique and based on the five levels and four control factors (sliding velocity, fiber loading, sliding distance, and normal load) L25partial orthogonal array was suggested for the woven fiber reinforced composites. Fiber content is the main control parameter for hardness testing and L9orthogonal array was suggested according to four control factors and three levels.
A tool to understand emission mechanisms of blazars through their high‐energy gamma‐ray emission
Authors: Osorio Mabel , Rangel Erick , Sacahui José Rodrigo , González María Magdalena
Published: June 2023

The blazar SED is characterized by two energy components. Evidence suggests that the low‐energy component is generated by the synchrotron mechanism, but for the high‐energy component, the mechanism is still uncertain. Two main models have been proposed to explain this emission. According to the leptonic model, a correlation between the emission of both SED components would be expected, while the hadronic model would explain the highest gamma ray and neutrino emission. The particle acceleration processes inside the relativistic jets of AGNs remain another open question. This article presents a summary of some studies that leverage high‐energy gamma‐ray emissions to enhance our understanding of the particle acceleration and emission mechanisms of blazars.
The impact of ‘bursary tourism’ or the desire for a ‘fulfilling, challenging, and emotionally rewarding career’? Career entry motivations and perceptions of preservice teachers from England
Authors: George Sindu , Thornby John
Published: June 2023

Why teachers choose their career has been a popular topic of research in many contexts since the introduction of the FIT‐Choice framework by Watt and Richardson in 2007 to study teacher motivations. Although altruistic motivations have been identified as the common driving factor behind preservice teachers' (PSTs') decision to enter the field, there are other motivational factors—such as teaching being a career that fits well with family commitments, or choosing teacher education as a ‘fallback’ option—that are widely reported in different contexts. The introduction of incentives for student teachers in certain subjects has been subject to media criticism in England as promoting ‘bursary tourism’. This study investigates the career entry motivations and teaching perceptions of PSTs from a university that is one of the key teacher education providers in the country, using the FIT‐Choice framework. The paper discusses the findings (N = 115), including validation of the FIT‐Choice scale, collecting data on 12 motivations and six perceptions, along with preliminary findings. It was identified that intrinsic career values were the highest rated motivation, followed by altruistic values such as the desire to make a social contribution and being a part of shaping the future of children and adolescents. Perceived abilities were also rated higher, while personal utility values and task returns— including monetary rewards—were rated very low. While the participants agreed that the job is professionally and emotionally demanding, it was promising to note that they were highly satisfied with their career choice, implicitly indicating their intention to continue in the teaching profession. Gender differences, along with field of study and training pathway differences in motivations and teaching perceptions are also discussed, with practical implications.
Rissreibung in Biegeschubrissen
Authors: Jauk Vladimir , Rombach Günter A.
Published: June 2023

Zur Bestimmung der Querkrafttragfähigkeit von Stahl‐ und Spannbetonbauteilen ohne Schubbewehrung wurden zahlreiche Rechenmodelle entwickelt. Dabei gehen manche Ansätze davon aus, dass die einwirkende Querkraft im Wesentlichen über die Rissreibung abgetragen wird. Andere sehen die ungerissene Betondruckzone als maßgebenden Tragmechanismus an. Um diese Frage zu klären, wurden zehn Versuche mit Stahlbetonbalken ohne Bügelbewehrung durchgeführt. Hierbei lag der Schwerpunkt bei der genauen Aufzeichnung der Rissentwicklung sowie bei der Messung von Rissöffnung und ‐gleitung. Mithilfe konventioneller und moderner Messmethoden, wie der digitalen Bildkorrelation (DIC), wurde das Tragverhalten umfänglich aufgezeichnet und ausgewertet. Des Weiteren erfolgten eine Begutachtung der Rissoberflächen sowie eine Bestimmung der Rissreibungskräfte. Nach den durchgeführten Untersuchungen scheint die Rissreibung nur einen geringen Anteil der Querkraft aufzunehmen. Die Ergebnisse des Forschungsvorhabens liefern damit einen Beitrag zu einem besseren Verständnis des Querkraftabtrags in Stahlbetonbauteilen ohne Querkraftbewehrung.
Doppelkopfanker als Querkraft‐ und Durchstanzbewehrung – Aktueller Stand und Ausblick
Authors: Fingerloos Frank , Lindorf Alexander , Meyer Lars
Published: June 2023

Als eine sehr effektive Durchstanzbewehrung haben sich seit Jahrzehnten Doppelkopfanker etabliert, da bei diesen für Querkraft‐ und Durchstanzbeanspruchungen optimierten Bewehrungselementen eine besonders hohe Verankerungsleistung mit einer praktikablen Einbaubarkeit kombiniert werden kann. In diesem Beitrag wird ein Überblick über aktuelle Verwendbarkeits‐ und Anwendbarkeitsnachweise für Doppelkopfanker in Deutschland gegeben. Danach werden die aktuell geltenden Bemessungs‐ und Konstruktionsregeln für die Verwendung der Doppelkopfanker als Querkraft‐ sowie als Durchstanzbewehrung zusammengestellt. Abschließend wird auf die nächste Eurocode‐2‐Generation 2023+geblickt, wobei auszugsweise einige wesentliche Neuerungen bei der zukünftigen Einbindung der Doppelkopfanker in die Querkraft‐ und Durchstanzregelungen vorgestellt werden.
A joint control intervention for the acquisition of group exercise sequences
Authors: Baker Natalie , Jackson Marianne L. , Smith Nicole J.
Published: June 2023

Despite the health problems associated with a lack of physical activity, most adults in the U.S. do not meet recommended levels. One barrier often cited is lack of relevant skills, and a small number of studies have suggested that instructional forms of self‐talk may be an important aspect of skill acquisition in physical activity. The process of joint control may provide a conceptually accurate account of this type of intervention and suggest new applications. Five undergraduate students participated in this study and attended a group exercise class created for this purpose. Following baseline sessions, all participants completed joint control training on a novel exercise sequence and then returned to the group exercise setting. All participants showed a noticeable increase in the accuracy of their movements in the post‐training phase and demonstrated continued improvements in the generalization phase. Limitations of covert responses and the contrived setting are discussed.
Health insurance and neighborhood poverty as mediators of racial disparities in advanced disease stage at diagnosis and nonreceipt of surgery for women with breast cancer
Authors: Hines Robert B. , Zhu Xiang , Lee Eunkyung , Eames Bradley , Chmielewska Karolina , Johnson Asal M.
Published: June 2023

Background

In our recent study, advanced disease stage and nonreceipt of surgery were the most important mediators of the racial disparity in breast cancer survival. The purpose of this study was to quantify the racial disparity in these two intermediate outcomes and investigate mediation by the more proximal mediators of insurance status and neighborhood poverty.

Methods

This was a cross‐sectional study of non‐Hispanic Black and non‐Hispanic White women diagnosed with first primary invasive breast cancer in Florida between 2004 and 2015. Log‐binomial regression was used to obtain prevalence ratios (PR) with 95% confidence intervals (CIs). Multiple mediation analysis was used to assess the role of having Medicaid/being uninsured and living in high‐poverty neighborhoods on the race effect.

Results

There were 101,872 women in the study (87.0% White, 13.0% Black). Black women were 55% more likely to be diagnosed with advanced disease stage at diagnosis (PR, 1.55; 95% CI, 1.50–1.60) and nearly twofold more likely to not receive surgery (PR, 1.97; 95% CI, 1.90–2.04). Insurance status and neighborhood poverty explained 17.6% and 5.3% of the racial disparity in advanced disease stage at diagnosis, respectively; 64.3% remained unexplained. For nonreceipt of surgery, insurance status explained 6.8% while neighborhood poverty explained 3.2%; 52.1% was unexplained.

Conclusions

Insurance status and neighborhood poverty were significant mediators of the racial disparity in advanced disease stage at diagnosis with a smaller impact on nonreceipt of surgery. However, interventions designed to improve breast cancer screening and receipt of high‐quality cancer treatment must address additional barriers for Black women with breast cancer.
Ten principles of counselling: Grounded theory in a mixed methods research project
Authors: Rohr Dirk , Becker‐Neu Josephine
Published: June 2023

This grounded theory (GT) study is part of an extensive mixed methods research project to develop general principles for counselling. Nine hundred counselling protocols were examined. The material is characterised by a quantitative amount of data with a qualitative character. The research is based on the systemic‐constructivist research paradigm. The variety of perspectives is an important aspect of the work. Therefore, it is important that the entire research process with GT takes place in exchange with other research settings in order to minimise the limitations caused by the perspective of the researchers. During the research process, there was an intensive examination of GT in order to adapt it to the research project. By using the GT to analyse the extensive qualitative material, the actions of the counsellors were observed and 10 counselling principles were developed. This article presents the research process and the findings.
Supervision experiences of trans/gender expansive counselors‐in‐training: An interpretative phenomenological analysis
Authors: Degenstein Megan , Tangen Jodi , Danielson Jessica
Published: June 2023

Clinical supervisors should be culturally competent working with transgender or gender expansive (TGE) counselors‐in‐training; however, minimal research exists regarding TGE counselors’ experiences in supervision. This interpretative phenomenological analysis study explored the supervision experiences of five TGE counselors‐in‐training. Findings revealed four super‐ordinate themes and two sub‐themes, and implications are discussed.
Photobioelectrocatalysis of Intact Photosynthetic Bacteria Exposed to Dinitrophenol
Authors: de Moura Torquato Lilian Danielle , Matteucci Rosa Maria , Stufano Paolo , Vona Danilo , Farinola Gianluca M. , Trotta Massimo , Boldrin Zanoni Maria Valnice , Grattieri Matteo
Published: June 2023

Invited for this issue's Front Cover is the international collaborative team with researchers from Università degli Studi di Bari “Aldo Moro” (Italy), São Paulo State University (UNESP, Brasil), and Consiglio Nazionale delle Ricerche (Italy). The cover picture shows purple bacterial cells that hit, or miss, their “target electrode” with photo‐induced electrons depending on the concentration of dinitrophenol at which they are exposed. Under low dinitrophenol concentration, the electrons can reach the target, while under high dinitrophenol concentrations the electrons are diverted away from the electrode. Read the full text of the Research Article at 10.1002/celc.202300013.
A Domino Radical Amidation/Semipinacol Approach to All‐Carbon Quaternary Centers Bearing an Aminomethyl Group
Authors: Dhak Mandeep S. , Arunprasath Dhanarajan , Argent Stephen P. , Cuthbertson James D.
Published: June 2023

A photoredox‐mediated radical amidation ring‐expansion sequence that enables the generation of all‐carbon quaternary centers bearing a protected aminomethyl substituent is described. The methodology can be applied to both styrene and unactivated alkene substrates generating structurally diverse sp3‐rich amine derivatives in a concise manner.
Diffundierter Sauerstoff als dominierender flacher Akzeptor in p‐Typ Kupferiodid‐Dünnfilmen
Authors: Lorenz Michael , Storm Philipp , Gierth Stephan , Selle Susanne , von Wenckstern Holger , Grundmann Marius
Published: June 2023

Die Langzeitstabilität des optisch transparenten p‐Typ‐Halbleiters Kupferiodid ist eine aktuelle Herausforderung, da die elektrische Leitfähigkeit von CuI‐Dünnfilmen empfindlich auf Umgebungseinflüsse reagiert. Deckschichten aus Aluminiumoxid erhöhen die Stabilität beträchtlich. Systematische Untersuchungen von Al2O3/CuI‐Heterostrukturen in Abhängigkeit der N2‐ oder O2‐Partialdrücke bei der Oxid‐Abscheidung zeigen, dass die elektrische Leitfähigkeit der CuI‐Filme durch die Sauerstoff‐Diffusion in Al2O3 und CuI bestimmt wird. Sauerstoff scheint somit als dominierender Akzeptor in CuI zu wirken. Die Diffusion des Umgebungs‐Sauerstoffs in CuI wurde mittels des 18O‐Isotopes verfolgt.
The essential molecular requirements for the transformation of normal cells into established cancer cells, with implications for a novel anti‐cancer agent
Authors: Warenius Hilmar M.
Published: June 2023

Background

Normal adult mammalian cells can respond to oncogenic somatic mutations by committing suicide through a well‐described, energy dependent process termed apoptosis. Cancer cells avoid oncogene promoted apoptosis. Oncogenic somatic mutations are widely acknowledged to be the cause of the relentless unconstrained cell proliferation which characterises cancer. But how does the normal cell with the very first oncogenic mutation survive to proliferate without undergoing apoptosis?

New findings

The phenomena of malignant transformation by somatic mutation, apoptosis, aneuploidy, aerobic glycolysis and Cdk4 upregulation in carcinogenesis have each been extensively discussed separately in the literature but an overview explaining how they may be linked at the initiation of the cancer process has not previously proposed.

Conclusion

A hypothesis is presented to explain how in addition to the initial oncogenic mutation, the expression of certain key normal genes is, counter‐intuitively, also required for successful malignant transformation from a normal cell to a cancer cell. The hypothesis provides an explanation for how the cyclic amphiphilic peptide HILR‐056, derived from peptides with homology to a hexapeptide in the C‐terminal region of Cdk4, kill cancer cells but not normal cell by necrosis rather than apoptosis.
The stationary AKPZ equation: Logarithmic superdiffusivity
Authors: Cannizzaro Giuseppe , Erhard Dirk , Toninelli Fabio
Published: June 2023

We study the two‐dimensional Anisotropic KPZ equation (AKPZ) formally given by
where ξ is a space‐time white noise and λ is a strictly positive constant. While the classical two‐dimensional KPZ equation, whose nonlinearity is , can be linearised via the Cole‐Hopf transformation, this is not the case for AKPZ. We prove that the stationary solution to AKPZ (whose invariant measure is the Gaussian Free Field (GFF)) is superdiffusive: its diffusion coefficient diverges for large times as up to corrections, in a Tauberian sense. Morally, this says that the correlation length grows with time like . Moreover, we show that if the process is rescaled diffusively (), then it evolves non‐trivially already on time‐scales of order approximately . Both claims hold as soon as the coefficient λ of the nonlinearity is non‐zero. These results are in contrast with the belief, common in the mathematics community, that the AKPZ equation is diffusive at large scales and, under simple diffusive scaling, converges to the two‐dimensional Stochastic Heat Equation (2dSHE) with additive noise (i.e., the case ).
Effect of Choline Amino Acid‐Based Ionic Liquids on Stability and Structure of Hemoglobin
Authors: Devi Tulsiyan Kiran , Rani Prusty Mallika , Biswal Himansu S.
Published: June 2023

Ionic liquids (ILs) can stabilize or destabilize proteins, which motivates us to examine their effect on hemoglobin. The native state of hemoglobin (Hb) is disrupted at different physical conditions such as pressure, temperature, and solvents. Herein, we have monitored the stability of Hb in a nontoxic and biocompatible IL, i. e., choline amino acid‐based Ils (ChAAILs), using various spectroscopic techniques like UV‐Vis and fluorescence spectroscopy, circular dichroism (CD), and isothermal titration calorimetry (ITC) measurements. It was observed that Hb stays neither in its native state nor in its fully denatured state; rather, it achieves an intermediate state in the presence of ChAAILs. The research on the intermediate state of Hb is still unexplored. Research has been pursued to find a suitable ligand or IL that can stabilize the intermediate state of Hb. In that context, ChAAILs are among the best choices. Molecular docking studies unravel the binding of ChAAILs with Hb. The obtained binding energies of the docked complex are −7.2 kcal/mol and −8.7 kcal/mol for binding of Hb with [Chl][Gly] and [Chl][Met], respectively, which was in line with the ITC results. The quantum chemical calculations show that H‐bond plays a significant role for the interaction between Hb and ChAAILs.
Chiral Pyrrolidinium Ionic Liquids with (−)‐Borneol Fragment in the Cation – Synthesis, Physicochemical Properties and Application in Diels‐Alder Reaction
Authors: Gano Marcin , Janus Ewa , Schilf Wojciech
Published: June 2023

A series of chiral pyrrolidinium salts containing (1 S)‐endo‐(−)‐born‐2‐yloxymethyl substituent in the structure of the cation and six different anions: chloride, tetrafluoroborate [BF4]−, hexafluorophosphate [PF6]−, trifluoromethanesulfonate [OTf]−, bis(trifluoromethylsulfonyl)imide [NTf2]−, bis(pentafluoroethylsulfonyl)imide [NPf2]− and perfluorobutanesulfonate [C4FS]− were efficiently prepared and extensively characterized. The enantiomeric purity of them was confirmed by NMR analysis with a chemical shift reagent. All salts were characterized with the specific rotation, the solubility in commonly used solvents, thermal properties, including phase transition temperatures and thermal stability. Salts with [PF6]−, [C4FS]−, [NTf2]− and [NPf2]− anions were classified as chiral ionic liquids (CILs). Moreover, salts with [NTf2]− and [NPf2]− anions were in the liquid state at room temperature and below. Therefore, density and dynamic viscosity, the surface tension and the contact angle on three different surfaces were also measured for them. Additionally, these chiral ionic liquids were tested as solvents in Diels‐Alder reaction.
Formation of Eigen or Zundel Features at Protonated Water Cluster–Aromatic Interfaces
Authors: Prakash Muthuramalingam , Rudharachari Maiyelvaganan K. , Lakshman N. Giri , Mogren Al‐Mogren Muneerah , Hochlaf Majdi
Published: June 2023

Interfacial interactions of protonated water clusters adsorbed at aromatic surfaces play an important role in biology, and in atmospheric, chemical and materials sciences. Here, we investigate the interaction of protonated water clusters ((H+H2O)n (where n=1–3)) with benzene (Bz), coronene (Cor) and dodecabenzocoronene (Dbc)). To study the structure, stability and spectral features of these complexes, computations are done using DFT‐PBE0(+D3) and SAPT0 methods. These interactions are probed by AIM electron density topography and non‐covalent interactions index (NCI) analyses. We suggest that the excess proton plays a crucial role in the stability of these model interfaces through strong inductive effects and the formation of Eigen or Zundel features. Also, computations reveal that the extension of the π‐aromatic system and the increase of the number of water molecules in the H‐bounded water network led to a strengthening of the interactions between the corresponding aromatic compound and protonated water molecules, except when a Zundel ion is formed. The present findings may serve to understand in‐depth the role of proton localized at aqueous medium interacting with large aromatic surfaces such as graphene interacting with acidic liquid water. Besides, we give the IR and UV‐Vis spectra of these complexes, which may help for their identification in laboratory.
Can mindfulness‐based interventions improve outcomes in cognitive‐behavioural therapy for chronic insomnia disorder in the general population? Systematic review and meta‐analysis
Authors: de Entrambasaguas Manuel , Díaz‐Silveira Cintia , Burgos‐Julián Francisco A. , Santed Miguel A.
Published: June 2023

Cognitive‐behavioural therapy for insomnia (CBT‐I) is the recommended first‐line therapy for adults with chronic insomnia disorder (ID), which is characterized by hyperarousal. Mindfulness‐based interventions (MBIs) are protocols aimed at stress reduction based on non‐judgmental attention control in the present moment. However, MBIs have been increasingly used without a clear scientific basis. The objective of this analysis was to examine if MBIs could be useful as a component of the CBT‐I therapeutic system through a systematic review and meta‐analysis of randomized controlled trials (RCTs) and non‐randomized studies (NRS) searched in PubMed, PsycINFO, Cochrane and WoS. The Insomnia Severity Index (ISI) was the primary outcome, while the Pittsburgh Sleep Quality Index (PSQI) and a composite sleep variable (CSV) were secondary outcomes. Thirteen articles corresponding to nine studies (three pragmatic RCTs, three explanatory RCTs and three NRS) were included. The omnibus test found that MBIs had a small to medium effect size on ISI nearing signification when comparing active control groups in the pretest–posttest period [Δ = 0.44, p = 0.07], a medium, non‐significant, effect size on PSQI [Δ = 0.52, p = 0.18], and a significant though small effect size on CSV [Δ = 0.05, p < 0.01]. No heterogeneity was found. The analysis could not demonstrate that MBIs, combined with CBT‐I components in some studies, positively affected ID in the general adult population. This was probably due to the lack of pragmatic designs and suitable measuring instruments. Recommendations are made for designing further studies to address these issues.
Salt Confined in MIL‐101(Cr)‐Tailoring the Composite Sorbents for Efficient Atmospheric Water Harvesting
Authors: Solovyeva Marina V. , Krivosheeva Irina V. , Gordeeva Larisa G. , Khudozhitkov Alexander E. , Kolokolov Daniil I. , Stepanov Alexander G. , Ludwig Ralf
Published: June 2023

The adsorption method for atmospheric water harvesting (AWH) is considered as a promising heat‐driven technology for potable water supply in arid regions. This research is focused on novel composite sorbents based on hygroscopic salts loaded in the pores of MIL‐101(Cr) developed for AWH. The composites based on LiCl, LiBr, CaCl2, and Ca(NO3)2 were synthesized and comprehensively studied by SEM, XRD, N2 adsorption, and thermogravimetric methods. We evidence that the CaCl2/MIL‐101(Cr) composite demonstrates a high net water uptake of 0.52–0.59 g_(H2O)/g_(composite) per cycle under conditions of Saudi Arabia and the Sahara desert as the reference regions with extra‐dry climate, which exceeds the appropriate values for other adsorbents. It is shown that water adsorption on the composite cannot be presented as a combination of the adsorption on the components, thus indicating a synergistic effect. A detailed characterization of water coordination, mobility, and hydrogen bonding within the confined CaCl2 hydrates and salt solution using solid‐state 2H NMR spectroscopy has been performed. It is established that pore confinement promotes a prolonged transition to a dynamically melted state of the hydrated salt and a notable decrease of the melting temperature, which facilitates the molecular transport of water and causes the alteration of sorption properties of CaCl2 inside MIL‐101 pores. Finally, the performance of AWH employing CaCl2/MIL‐101(Cr) was evaluated in terms of the fractions of water extracted and collected, and the specific energy consumption, demonstrating its high potential for AWH.
Detection of collision using optimized deep model and mitigation of collision using dolphin ant lion optimizer in wireless sensor network
Authors: Khare Akhil , K Selvakumar , Dugyala Raman
Published: June 2023

Wireless sensor network (WSN) comprises automatic sensors that are dispersed into a huge region. WSN is constructed from huge sensors, which is allocated to a particular task and the majority of task involves reporting and monitoring. However, as the network can be extended to several sensor nodes, there is a high chance of collision. Thus, this paper devises a novel technique for performing both collision detection and mitigation in WSN. Initially, the simulation of WSN is performed, and then the selection of cluster head is done using fractional artificial bee colony (FABC). Here, the network‐based parameter is extracted that involves received signal strength index (RSSI), priority level, delivery rate, and energy consumed. The deep recurrent neural network (DRNN) is adapted for collision detection. Here, the training of DRNN is done using lion crow search optimizer (LCSO). After collision detection, the collision mitigation is performed with a pre‐scheduling algorithm, namely dolphin ant lion optimizer (Dolphin ALO). Here, fitness is considered for collision mitigation that includes energy, sleep index (SI), delivery rate, priority level, E‐waste, and E‐save. The proposed method outperformed with the smallest energy consumption of 0.185, highest throughput of 0.815, highest packet delivery ratio (PDR) of 0.815, and highest collision detection rate of 0.930.
Building use‐inspired species distribution models: Using multiple data types to examine and improve model performance
Authors: Braun Camrin D. , Arostegui Martin C. , Farchadi Nima , Alexander Michael , Afonso Pedro , Allyn Andrew , Bograd Steven J. , Brodie Stephanie , Crear Daniel P. , Culhane Emmett F. , Curtis Tobey H. , Hazen Elliott L. , Kerney Alex , Lezama‐Ochoa Nerea , Mills Katherine E. , Pugh Dylan , Queiroz Nuno , Scott James D. , Skomal Gregory B. , Sims David W. , Thorrold Simon R. , Welch Heather , Young‐Morse Riley , Lewison Rebecca L.
Published: June 2023

Species distribution models (SDMs) are becoming an important tool for marine conservation and management. Yet while there is an increasing diversity and volume of marine biodiversity data for training SDMs, little practical guidance is available on how to leverage distinct data types to build robust models. We explored the effect of different data types on the fit, performance and predictive ability of SDMs by comparing models trained with four data types for a heavily exploited pelagic fish, the blue shark (Prionace glauca), in the Northwest Atlantic: two fishery dependent (conventional mark‐recapture tags, fisheries observer records) and two fishery independent (satellite‐linked electronic tags, pop‐up archival tags). We found that all four data types can result in robust models, but differences among spatial predictions highlighted the need to consider ecological realism in model selection and interpretation regardless of data type. Differences among models were primarily attributed to biases in how each data type, and the associated representation of absences, sampled the environment and summarized the resulting species distributions. Outputs from model ensembles and a model trained on all pooled data both proved effective for combining inferences across data types and provided more ecologically realistic predictions than individual models. Our results provide valuable guidance for practitioners developing SDMs. With increasing access to diverse data sources, future work should further develop truly integrative modeling approaches that can explicitly leverage the strengths of individual data types while statistically accounting for limitations, such as sampling biases.
Developing a protocol to address co‐occurring mental health conditions in the treatment of eating disorders
Authors: Wade Tracey D. , Shafran Roz , Cooper Zafra
Published: June 2023

Objective

While co‐occurring mental health conditions are the norm in eating disorders, no testable protocol addresses management of these in psychotherapy.

Method

The literature on managing mental health conditions that co‐occur with eating disorders is outlined and reviewed.

Results

In the absence of clear evidence to inform managing co‐occurring mental health conditions, we advocate for use of an iterative, session‐by‐session measurement to guide practice and research. We identify three data‐driven treatment approaches (focus solely on the eating disorder; multiple sequential interventions either before or after the eating disorder is addressed; integrated interventions), and the indications for their use. Where a co‐occurring mental health condition/s impede effective treatment of the eating disorder, and an integrated intervention is required, we outline a four‐step protocol for three broad intervention approaches (alternate, modular, transdiagnostic). A research program is suggested to test the usefulness of the protocol.

Discussion

Guidelines that provide a starting point to improving outcomes for people with eating disorders that can be evaluated/researched are offered in the current paper. These guidelines require further elaboration with reference to: (1) whether any difference in approach is required where the co‐occurring mental health condition is a comorbid symptom or condition; (2) the place of biological treatments within these guidelines; (3) precise guidelines for selecting among the three broad intervention approaches when adapting care for co‐occurring conditions; (4) optimal approaches to involving consumer input into identifying the most relevant co‐occurring conditions; (5) detailed specification on how to determine which adjuncts to add.

Public significance

Most people with an eating disorder also have another diagnosis or an underlying trait (e.g., perfectionism). Currently no clear guidelines exist to guide treatment in this situation, which often results in a drift away from evidence‐based techniques. This paper outlines data‐driven strategies for treating eating disorders and the accompanying comorbid conditions and a research program that can test the usefulness of the different approaches suggested.
Origin and genetic variability of populations of the invasive plant Rumex alpinus L. in the Giant (Krkonoše) Mountains
Authors: Jungová Michaela , Jurasová Vladimíra Müllerová , Čepková Petra Hlásná , Svobodová Leona Leišová , Svoboda Pavel , Hejcman Michal
Published: June 2023

Monk's rhubarb, Rumex alpinus L. (R. alpinus), is a perennial plant native to the mountains of Central and Southern Europe. Currently, the distribution of R. alpinus has been partly affected by its utilization as a vegetable and a medicinal herb. In the mountains of the Czech Republic, it is considered an invasive plant, probably introduced into the Krkonoše Mountains by colonists from the Alps. This study's main aim was to verify whether R. alpinus was introduced into the Krkonoše Mountains by alpine colonists or whether it was anthropogenically introduced from the Carpathians. Furthermore, the genetic structure of native and introduced populations of R. alpinus was determined. For the evaluation of genetic structure, 417 samples of R. alpinus were collected from the Alps, Carpathians, Balkan, Pyrenees, and Czech Mountains. In total, 12 simple sequence repeat (SSR) markers were applied. The results of AMOVA showed a high 60% variation within populations, 27% variation among groups, and 13% among the population within groups. The overall unbiased gene diversity was high (̂ĥ = 0.55). The higher level of genetic differentiation among populations (FST = 0.35; p < .01) indicated restricted gene flow between populations. Compared to native populations, limited genetic variability was observed in the nonnative populations. It was concluded that local adaptation, low gene exchange, and genetic drift affected the genetic diversity of nonnative R. alpinus. The results support a genetic link between Alpine and Czech genotypes of R. alpinus, while the Carpathians genotypes corresponded to the Balkan genotype.