bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reactivity of Zinc Fingers in Oxidizing Environments: Insight from Molecular Models Through Activation Strain Analysis
Authors: Zeppilli Davide , Madabeni Andrea , Nogara Pablo A. , Rocha João B. T. , Orian Laura 
Published: June 2024

AbstractThe reactivity of Zn2+ tetrahedral complexes with H2O2 was investigated in silico, as a first step in their disruption process. The substrates were chosen to represent the cores of three different zinc finger protein motifs, i. e., a Zn2+ ion coordinated to four cysteines (CCCC), to three cysteines and one histidine (CCCH), and to two cysteines and two histidines (CCHH). The cysteine and histidine ligands were further simplified to methyl thiolate and imidazole, respectively. H2O2 was chosen as an oxidizing agent due to its biological role as a metabolic product and species involved in signaling processes. The mechanism of oxidation of a coordinated cysteinate to sulfenate‐κS and the trends for the different substrates were rationalized through activation strain analysis and energy decomposition analysis in the framework of scalar relativistic Density Functional Theory (DFT) calculations at ZORA‐M06/TZ2P ae // ZORA‐BLYP‐D3(BJ)/TZ2P. CCCC is oxidized most easily, an outcome explained considering both electrostatic and orbital interactions. The isomerization to sulfenate‐κO was attempted to assess whether this step may affect the ligand dissociation; however, it was found to introduce a kinetic barrier without improving the energetics of the dissociation. Lastly, ligand exchange with free thiolates and selenolates was investigated as a trigger for ligand dissociation, possibly leading to metal ejection; molecular docking simulations also support this hypothesis.
Asymmetric Rh Diene Catalysis under Confinement: Isoxazole Ring‐Contraction in Mesoporous Solids
Authors: Marshall Max , Dilruba Zarfishan , Beurer Ann‐Katrin , Bieck Kira , Emmerling Sebastian , Markus Felix , Vogler Charlotte , Ziegler Felix , Fuhrer Marina , Liu Sherri S. Y. , Kousik Shravan R. , Frey Wolfgang , Traa Yvonne , Bruckner Johanna R. , Plietker Bernd , Buchmeiser Michael R. , Ludwigs Sabine , Naumann Stefan , Atanasova Petia , Lotsch Bettina V. , Zens Anna , Laschat Sabine 
Published: June 2024

AbstractCovalent immobilization of chiral dienes in mesoporous solids for asymmetric heterogeneous catalysis is highly attractive. In order to study confinement effects in bimolecular vs monomolecular reactions, a series of pseudo‐C2‐symmetrical tetrahydropentalenes was synthesized and immobilized via click reaction on different mesoporous solids (silica, carbon, covalent organic frameworks) and compared with homogeneous conditions. Two types of Rh‐catalyzed reactions were studied: (a) bimolecular nucleophilic 1,2‐additions of phenylboroxine to N‐tosylimine and (b) monomolecular isomerization of isoxazole to 2H‐azirne. Polar support materials performed better than non‐polar ones. Under confinement, bimolecular reactions showed decreased yields, whereas yields in monomolecular reactions were only little affected. Regarding enantioselectivity the opposite trend was observed, i. e. effective enantiocontrol for bimolecular reactions but only little control for monomolecular reactions was found.
An environmental scan of food and drink advertising on public transport around Adelaide schools
Authors: Coro Daniel G. , Schirmer Kristy , van Rhoda Mollie , McQueen Bronte , Morris Christine 
Published: June 2024

AbstractIssue AddressedChildren and adolescents are particularly receptive to cues from food and drink advertising. Several policies recommend restricting unhealthy or discretionary (‘junk’) food advertising on government infrastructure such as public transport. Prior research in New South Wales (NSW) and Western Australia (WA) reveals a high proportion of discretionary food advertising outdoors and on public transport. The aim of this study was to identify the landscape of food and drink advertising on public transport assets around Adelaide schools.MethodsAn environmental scan of food and drink advertising on public transport assets within 500 m of 65 Adelaide schools was conducted. The Council of Australian Governments Health Council's interim guide was used to categorise advertisements as ‘suitable’ or ‘unsuitable’ for promotion.ResultsAlmost four in every five food and drink advertisements on public‐transport assets observed around Adelaide schools included discretionary food or drink, and therefore were categorised as unsuitable for promotion. Advertisements on bus exteriors were more likely to promote discretionary foods, compared with bus shelters.ConclusionsThis proportion of ‘unhealthy’ food advertising was comparable to previous research conducted in WA and NSW.So What?In light of historic state/territory actions such as the ACT preventing discretionary food advertising on public transport, these findings should prompt a review and discussion of the suitability of food and drink promotion on government‐owned South Australian transport and their associated assets.
Robots at work? Pitfalls of industry‐level data
Authors: Bekhtiar Karim , Bittschi Benjamin , Sellner Richard 
Published: June 2024

SummaryIn their seminal paper, Graetz and Michaels (2018) find that robots increase productivity, lower output prices, and adversely affect the share of low‐skilled labor. We demonstrate that these effects are partly driven by the sample composition and argue that focusing on manufacturing industries yields more credible results regarding the overall economic effects of robotization. The results show that focusing on robotizing industries leads to a sizable drop of the productivity effects, halving the effect size for labor productivity. Pronounced consequences from the sample choice occur for wage effects that are reversed from significantly positive into significantly negative. Controlling for demographic workforce characteristics proves to be essential for the significant labor productivity effects and leads to the reversal for wages.
Utilization of palm oil and palm oil effluent as a carbon source for the production of polyhydroxybutyrate co‐polyhydroxyhexanoate P(HB‐co‐HHx) a biopolymer in bacillus sp
Authors: Katagi Vrunda N , Arekal Roopashri N , Divyashree M Somashekara 
Published: June 2024

AbstractBACKGROUNDBiodegradable polymers are gaining a reputation as demand is increasing globally. Amongst these Polyhydroxyalkanoates (PHA) are attracting market attention as a consequence of their properties similar to those of conventional plastics. PHA is a natural polyester that is stored as an intracellular carbon (C) energy reserve of bacteria. This biopolymer can be extracted and used in place of petrochemical plastic. Medium chain‐length (mcl) PHA, specifically poly hydroxybutyrate‐co‐hydroxyhexanoate P (HB‐co‐HHx) copolymer produced by Bacillus, has gained practical attention owing to its superior physicochemical properties compared to the commonly synthesized PHB homopolymer. Co‐polymer production is dependent on C sources provided in the growth medium. In the present study we have employed palm oil and palm oil effluent as C source.RESULTSIn the current study, it was observed that a significant amount of PHA and biomass was produced when the effluent was prepared at a concentration of 100% instead of water for preparing the growth medium. The production of biomass and PHA showed a range of 4.8–8and 1.5–4 g L−1, respectively. This means that the PHA yield obtained using the effluent was 50–80% of the control, whereas the control yielded only 40–50%.CONCLUSIONPalm industry waste can be used as a substrate in bioprocessing industries. Proton nuclear magnetic resonance analysis of PHA obtained herein indicates that it consists of the mcl polymer P (HB‐co‐HHx). © 2024 The Author(s). Journal of Chemical Technology and Biotechnology published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry (SCI).
Analysis of tropical nights in Spain (1970–2023): Minimum temperatures as an indicator of climate change
Authors: Correa Jordan , Dorta Pedro , López‐Díez Abel , Díaz‐Pacheco Jaime 
Published: June 2024

AbstractIn the current context of climate change, the increase in minimum temperatures recorded in recent decades has received special scientific attention due to its importance for the proper night's sleep and health of the population, among other considerations. One of the main indicators usually considered refers to the frequency of tropical nights (≥20°C), which have begun to become widespread in regions hitherto excluded from this type of event. This paper analyses tropical nights in Spain between 1970 and 2023, addressing their mean annual occurrence, their intensity, their monthly distribution and the average number of consecutive tropical nights recorded, as well as their relationship with relative humidity. The results, based on the analysis of 75 homogenized series located in 44 different provinces, allow us to differentiate seven large areas based on the minimum temperature in which there has been an increase in the frequency and intensity of tropical nights, which progressively extend the season in which they can appear. Similarly, a generalized increase in the maximum number of consecutive nights thermally above 20°C was identified, in addition to the presence of high relative humidity in coastal areas during these episodes.
The antisickling agent, 5‐hydroxymethyl‐2‐furfural: Other potential pharmacological applications
Authors: Pagare Piyusha P. , McGinn Mina , Ghatge Mohini S. , Shekhar Vibha , Alhashimi Rana T. , Daniel Pierce B. , Abdulmalik Osheiza , Zhang Yan , Safo Martin K. 
Published: June 2024

AbstractFor the last two decades, the aromatic aldehyde 5‐hydroxymethyl‐furfural (5‐HMF) has been the subject of several investigations for its pharmacologic potential. In 2004, the Safo group reported that 5‐HMF has potent antisickling activity by targeting and ameliorating the primary pathophysiology of hypoxia‐induced sickling of erythrocytes (red blood cells [RBC]). Following the encouraging outcome of the preclinical and phase I/II clinical studies of 5‐HMF for the treatment of sickle cell disease (SCD), there have been multiple studies suggesting 5‐HMF has several other biological or pharmacologic activities, including anti‐allergic, antioxidant, anti‐hypoxic, anti‐ischemic, cognitive improvement, anti‐tyrosinase, anti‐proliferation, cytoprotective, and anti‐inflammatory activities. The wide range of its effects makes 5‐HMF a potential candidate for treating a variety of diseases including cognitive disorders, gout, allergic disorders, anemia, hypoxia, cancers, ischemia, hemorrhagic shock, liver fibrosis, and oxidative injury. Several of these therapeutic claims are currently under investigation and, while promising, vary in terms of the strength of their evidence. This review presents the research regarding the therapeutic potential of 5‐HMF in addition to its sources, physicochemical properties, safety, absorption, distribution, metabolism, and excretion (ADME) profiles.
Integration of Metabolomics with Network Pharmacology Deciphers the Anti‐Fatigue Activity Mechanisms of the Extract of Mirabilis himalaica Root
Authors: Li Xiang , Hao Xiaoqing , Zhou Junhui , Zhou Li , Ma Bo , Qiu Zidong , Zhao TangNa , Xu Liang , Liu Juan , Kang Liping 
Published: June 2024

AbstractFatigue, a common symptom in both diseased and healthy individuals, is a biological phenomenon characterized by a sense of extreme physical or mental exhaustion. To explore novel drugs and food sources of anti‐fatigue, the hydroalcoholic extract of the root of Mirabilis himalaica (MH extract) is evaluated as anti‐fatigue agents in this work, and clarifies that the mechanism of MH intervention in fatigue symptoms, and distribution of the anti‐fatigue constituents in the plant of Mirabilis himalaica is examined. The results show that the MH extract have a significantly anti‐fatigue effect via the pharmacological experiment and biochemical indicators. The network pharmacology, metabolomics, molecular docking, and pharmacology are integrated to determine that boeravinone A, B, and E are the pharmacoperones of anti‐fatigue. Moreover, the compounds of boeravinone are present only in the root and not in the leaf and stem of the Mirabilis himalaica, which validates that root of Mirabilis himalaica is historically and officially utilized medicinal parts.
Carbon labeling on meals in a ferry canteen
Authors: Lane Hakan , Pokutnia Oksana , Walker Mark David , Farias Ana Rita , Killingsworth Jayanna 
Published: June 2024

AbstractThe field experiment was conducted to explore in what ways CO2 labeling impacts customers' product selection. The objective of this study is the connection between eco‐labeling and the number of sales (customers' purchasing choices) made regardless of the price determinant. We performed a controlled investigation within 2 weeks, adding a CO2 label to the meals during the second week. The labeling icon showed the lifecycle emissions as a number and had a three‐level, high‐medium‐low graphical signal. The difference in sales between the 2 weeks was analyzed via chi‐squared and student t‐tests. There was a significant shift from meals associated with high CO2 emissions toward meals associated with lower CO2 quantity (chi‐square test, p = 0.001). There was likewise a significant 6% decrease in CO2 equivalent emissions per weight unit of purchased meals. As the shares of plant, meat, and fish‐based meals were similar for Week 1 and 2, the label was not potent enough to convince customers to change their diet styles. The reduction of CO2 emissions was achieved mainly through shifts in the direction of lower‐emitting meat and fish dishes. The obtained results depict that consumers pay attention to labeling while making purchasing choices, which has implications for marketing practice. The study implies that customers tend to select products with a lower environmental impact over others.
Intraoperative Ultrasound for the Management of Oral Tongue Cancer: a Systematic Review and Meta‐Analysis
Authors: Spence Ryland N. , Au Vivienne H. , Zhao Yan , Feng Allen L. , Juliano Amy F. , Goss Deborah , Varvares Mark A. 
Published: June 2024

AbstractObjectiveTo evaluate for correlation between intraoperative ultrasound (IOUS)‐measured tumor thickness (TT) (uTT) and histopathological TT (hTT), and to compare IOUS‐assisted resection with conventional resection in patients with oral tongue cancers.Data SourcesOvid MEDLINE (1946‐2023), Embase.com (1947‐2023), and Web of Science (All Databases 1900‐2023).Review MethodsInclusion criteria were the use of IOUS for the management of oral tongue cancer. Studies that did not report quantitative data were excluded. Additionally, studies that were not contributory to meta‐analysis, or a narrative analysis of pooled results were excluded. Selection was carried out by 2 reviewers. A total of 2417 studies were initially identified, with 12 ultimately being included in this review, and 7 included in the meta‐analysis. Data were extracted by 2 investigators and were pooled using a random‐effects model.ResultsOur meta‐analysis reveals a pooled correlation coefficient of 0.92 (95% confidence interval: 0.80‐0.96) for studies comparing uTT to hTT. Studies comparing IOUS‐assisted resection to conventional resection found IOUS‐assisted resection yielded wider nearest margins in all studies reporting this outcome.ConclusionIOUS reliably measures TT, similarly to that of histopathology measurement. IOUS‐assisted resection, which allows the surgeon to view the deep extent of tumor invasion, may increase closest radial margin distance compared to conventional resection. IOUS‐assisted resection may represent a more reliable approach to achieving clear margins than conventional resection.
Implementation science and psycho‐oncology: Advancing the translation of evidence into practice
Authors: Rankin Nicole M. , Jacobsen Paul B. 
Published: June 2024

AbstractObjectivesThis Special issue of Psycho‐Oncology highlights examples of the application of implementation science to research in psycho‐oncology. The aim is to demonstrate the different ways that implementation science is being used to generate evidence that can more readily translate evidence into changes in clinical practice. We hope this issue fosters greater interest in using the tools of implementation science to improve the lives of people affected by cancer.MethodsThe papers in the issue were selected from among those that responded to a call for submissions on the application of implementation science frameworks and methods to issues in psycho‐oncology. The focus included but was not limited to research on: understanding barriers and facilitators of intervention/practice adoption; assessing implementation outcomes, evaluating implementation strategies, and improving behavioural and/or clinical outcomes.ResultsThe 11 papers in this issue were grouped for presentation purposes into four common topics: barriers and facilitators to implementation; feasibility as a key implementation outcome; the design, selection and adaptation of implementation strategies; and building the foundation for psycho‐oncology research translation via systematic reviews that focus on implementation strategy design.ConclusionThese papers demonstrate the breadth of current applications of implementation science to research in psycho‐oncology. Alongside the studies featured in this issue, including cost‐effectiveness analyses, tests of nationally‐focused strategies and proactive planning for adaptation, we look forward to other innovations that will promote further growth of both disciplines to improve the integration of psycho‐oncology interventions across healthcare systems.
Lipidated DNA Nanostructures Target and Rupture Bacterial Membranes
Authors: Bennett Isabel D. , Burns Jonathan R. , Ryadnov Maxim G. , Howorka Stefan , Pyne Alice L. B. 
Published: June 2024

AbstractChemistry has the power to endow supramolecular nanostructures with new biomedically relevant functions. Here it is reported that DNA nanostructures modified with cholesterol tags disrupt bacterial membranes to cause microbial cell death. The lipidated DNA nanostructures bind more readily to cholesterol‐free bacterial membranes than to cholesterol‐rich, eukaryotic membranes. These highly negatively charged, lipidated DNA nanostructures cause bacterial cell death by rupturing membranes. Strikingly, killing is mediated by clusters of barrel‐shaped nanostructures that adhere to the membrane without the involvement of expected bilayer‐puncturing barrels. These DNA nanomaterials may inspire the development of polymeric or small‐molecule antibacterial agents that mimic the principles of selective binding and rupturing to help combat antimicrobial resistance.
The Schwinger-Keldysh coset construction
Authors: Akyuz Can Onur , Goon Garrett , Penco Riccardo 
Published: June 2024

Abstract
The coset construction is a tool for systematically building low energy effective actions for Nambu-Goldstone modes. This technique is typically used to compute time-ordered correlators appropriate for S-matrix computations for systems in their ground state. In this paper, we extend this technique to the Schwinger-Keldysh formalism, which enables one to calculate a wider variety of correlators and applies also to systems in a mixed state. We focus our attention on internal symmetries and demonstrate that, after identifying the appropriate symmetry breaking pattern, Schwinger-Keldysh effective actions for Nambu-Goldstone modes can be constructed using the standard rules of the coset construction. Particular emphasis is placed on the thermal state and ensuring that correlators satisfy the KMS relation. We also discuss explicitly the power counting scheme underlying our effective actions. We comment on the similarities and differences between our approach and others that have previously appeared in the literature. In particular, our prescription does not require the introduction of additional “diffusive” symmetries and retains the full non-linear structure generated by the coset construction. We conclude with a series of explicit examples, including a computation of the finite-temperature two-point functions of conserved spin currents in non-relativistic paramagnets, antiferromagnets, and ferromagnets. Along the way, we also clarify the discrete symmetries that set antiferromagnets apart from ferromagnets, and point out that the dynamical KMS symmetry must be implemented in different ways in these two systems.
Holographic origin of TCC and the distance conjecture
Authors: Bedroya Alek 
Published: June 2024

Abstract
One of the unique features of quantum gravity is the lack of local observables and the completeness of boundary observables. We show that the existence of boundary observables for particles with masses $$ \underset{t-\infty }{\lim}\frac{m}{H}=\infty $$

lim

t
−
∞

m
H

=
∞
in scalar fieldcosmologies where a(t) ∼ tp is equivalent to TCC, which implies p ≤ 1. Moreover, the mass of weakly-coupled particles must decay like m ≲ t1 − 2p to ensure that they yield non-trivial boundary observables. This condition can be expressed in terms of the scalar field that drives the cosmology as m ≲ exp(−cϕ) where c depends on the scalar potential. The strongest bound we find is achieved for $$ V\sim \exp \left(-2\phi /\sqrt{d-2}\right) $$
V
~
exp

−
2
ϕ
/

d
−
2

where $$ c=1/\sqrt{d-2} $$
c
=
1
/

d
−
2

. These results connect some of the most phenomenologically interesting Swampland conjectures to the most basic version of holography.
Universality in logarithmic temperature corrections to near-extremal rotating black hole thermodynamics in various dimensions
Authors: Maulik Sabyasachi , Pando Zayas Leopoldo A. , Ray Augniva , Zhang Jingchao 
Published: June 2024

Abstract
The low-temperature thermodynamics of near-extremal rotating black holes has recently been revisited to incorporate one-loop contributions that are dominant in this regime. We discuss these quantum corrections to the gravitational path integral for asymptotically Anti de-Sitter black holes in four and five dimensions. In four dimensions we explicitly consider Kerr-AdS4, Kerr-Newman-AdS4 and the rotating black hole in $$ \mathcal{N} $$
N
= 4 gauged supergravity with two scalars and two electric charges turned on. In five dimensions we explicitly address the asymptotically flat Myers-Perry black hole and the Kerr-AdS5 black hole. In every case we find that tensor modes contribute $$ \frac{3}{2}\log {T}_{\textrm{Hawking}} $$

3
2

log

T
Hawking

to the low-temperature thermodynamics. We identify the root cause of this universality in two facts: (i) the universal presence of a SL(2, ℝ) subgroup of isometries in the near-horizon geometry and (ii) a set of cancellations in the Lichnerowicz operator. We show that these two conditions hold for near-extremal black holes in asymptotically flat and asymptotically AdS spacetimes of various dimensions.