bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Living Topochemical Ring‐Opening Polymerization of Achiral Amino Acid N‐Carboxy‐Anhydrides in Single Crystals
Authors: Rohmer Matthias , Ebbinghaus Stefan G. , Busse Karsten , Radicke Julian , Kressler Jörg , Binder Wolfgang H. 
Published: September 2023

AbstractA living topochemical ring‐opening polymerization (ROP) of achiral amino‐acid N‐carboxyanhydrides (NCAs) is reported. Single crystals of the NCAs of α‐aminoisobutyric acid (Aib) and 1‐aminocyclohexanecarboxylic acid (ACHC) were grown, allowing a ring‐opening polymerization macroscopically induced by amines. The single crystals could be polymerized at temperatures from 25–50 °C after physically contacting the amine‐based initiator with the crystals. Topochemical polymerization of the crystals was proven by MALDI‐ToF MS and XRD, generating polymers with chain lengths of up to 40 units and a complete affixation of the initiating amine at the polymer's head. Due to the proper alignment of the reacting groups in the crystal, longer polymer chains with improved purities can be reached, as chain‐transfer is reduced as compared to solution polymerization. Simple purification of the polymers can be achieved by separation of the unreacted NCA via dispersion in acetonitrile. Overall, this method enables the preparation of polymers with higher chain length and purities at mild conditions, finally demonstrating a crystal‐based ring opening polymerization.
Does community attitude matter? The effects of local community environmental orientation on firms' environmental practices
Authors: Cai Shaohan , Wang Zhining , Yang Zhilin 
Published: September 2023

AbstractFrom the perspective of institutional theory, prior studies mostly focus on the effects of regulatory and normative forces on firms' environmental practices. We argue that, as a cultural‐cognitive force, local community environmental orientation is another key factor determining firms' environmental practices and performance. With data collected from multiple respondents in 372 Chinese firms, this study demonstrates that such orientation affects two other types of institutional forces facing companies, namely, local legislation and community stakeholders' pressures. These two types of forces complement each other and jointly affect firms' environmental actions, such as green investment and environmental operations, which subsequently affect firms' social reputation. However, local environmental orientation does not directly affect firms' environmental actions. These findings suggest that institutional forces interact with each other to shape firms' environmental actions.
Solvent Effects on the Chemo‐ and Site‐Selectivity of Transition Metal‐Catalyzed Nitrene Transfer Reactions: Alternatives to Chlorinated Solvents**
Authors: Ward Robert M. , Hu Yun , Tu Noah P. , Schomaker Jennifer M. 
Published: September 2023

AbstractTransition metal‐catalyzed, non‐enzymatic nitrene transfer (NT) reactions to selectively transform C−H and C=C bonds to new C−N bonds are a powerful strategy to streamline the preparation of valuable amine building blocks. However, many catalysts for these reactions use environmentally unfriendly solvents that include dichloromethane, chloroform, 1,2‐dichloroethane and benzene. We developed a high‐throughput experimentation (HTE) protocol for heterogeneous NT reaction mixtures to enable rapid screening of a broad range of solvents for this chemistry. Coupled with the American Chemical Society Pharmaceutical Roundtable (ACSPR) solvent tool, we identified several attractive replacements for chlorinated solvents. Selected catalysts for NT were compared and contrasted using our HTE protocol, including silver supported by N‐dentate ligands, dinuclear Rh complexes and Fe/Mn phthalocyanine catalysts.
Signal detection theory applied to giant pandas: Do pandas go out of their way to make sure their scent marks are found?
Authors: Wang Yue , Swaisgood Ronald R. , Wei Wei , Zhou Hong , Yuan Feiyun , Hong Mingsheng , Han Han , Zhang Zejun 
Published: September 2023

AbstractInter‐animal communication allows signals released by an animal to be perceived by others. Scent‐marking is the primary mode of such communication in giant pandas (Ailuropoda melanoleuca). Signal detection theory propounds that animals choose the substrate and location of their scent marks so that the signals released are transmitted more widely and last longer. We believe that pandas trade‐off scent‐marking because they are an energetically marginal species and it is costly to generate and mark chemical signals. Existing studies only indicate where pandas mark more frequently, but their selection preferences remain unknown. This study investigates whether the marking behavior of pandas is consistent with signal detection theory. Feces count, reflecting habitat use intensity, was combined with mark count to determine the selection preference for marking. The results showed that pandas preferred to mark ridges with animal trails and that most marked tree species were locally dominant. In addition, marked plots and species were selected for lower energy consumption and a higher chance of being detected. Over 90% of the marks used were the longest‐surviving anogenital gland secretion marks, and over 80% of the marks were oriented toward animal trails. Our research demonstrates that pandas go out of their way to make sure their marks are found. This study not only sheds light on the mechanisms of scent‐marking by pandas but also guides us toward more precise conservation of the panda habitat.
Assessing the economy using faster indicators
Authors: Kapetanios George , Papailias Fotis 
Published: September 2023

AbstractThis paper constructs a coincident indicator for the United Kingdom employing—for the first time—a novel set of “faster” indicators recently published by the Office for National Statistics. Most of these variables were first released during the COVID‐19 pandemic with the aim of facilitating economics and social research by more timely indicators. The empirical evidence suggests that a coincident indicator based on a novel weekly dataset successfully captures the economic conditions in real time. We further use this indicator in an out‐of‐sample macroeconomic nowcasting exercise targeting monthly economic growth, prices and retail sales.
Energy and the Environment: Keystone Cops (and Robbers)—Canadian Imports Threatened
Authors: Lesser Jonathan A. 
Published: September 2023

AbstractThe Keystone XL pipeline is the environmentalists' (and President Obama's) latest bête noire, a project regarded as so destructive and, well, evil, that it might as well be Dr. Strangelove's doomsday device. Of course, if it is not built, the earth is still doomed, but at least it will not be the result of Keystone; some other calamitous project will take its place.
Impacts of snow surface aerodynamic resistance on snow water equivalent simulations in forested regions
Authors: Tang Xiaoyang , Tang Deshan , Wang Zhaocheng , Cederstrom Charles J. , Vivoni Enrique R. 
Published: September 2023

AbstractThe aerodynamic resistance at the snow surface (ras) has an influence on the snowpack energy balance. However, there are no widely accepted approaches for parameterizing ras in forested regions. In this study, we derived ras under the influence of forest vegetation for five cases that depend on the canopy height and structure. Three parameterization schemes for ras were then integrated into a distributed hydrologic model: (1) the aerodynamic resistance above the canopy, ignoring the canopy structure effects on ras, (2) the full aerodynamic resistance formulation for the different canopy height cases, and (3) a simplified formulation that only represented the lower trunk layer. Model simulations were conducted at six snow telemetry (SNOTEL) sites in the Verde River Watershed, Arizona, and evaluated with respect to snow water equivalent (SWE) product from the SNOTEL sites and a gridded product. Results revealed the importance of accurately parameterizing vegetation canopy structure when calculating ras in forested regions. Cases where ras included the vertical structure effects showed improved simulations of SWE across all sites. Finally, ras is mostly determined by trunk layer aerodynamic resistance such that the simplified formulation is sufficient for representing forest canopy effects on ras.
Counseling, informed consent, and debriefing for cesarean section in sub‐Saharan Africa: A scoping review
Authors: Faysal Sumeya , Penn‐Kekana Loveday , Day Louise‐Tina , Tripathi Vandana , Khan Farhad , Stafford Renae , Levin Karen , Campbell Oona , Filippi Veronique 
Published: September 2023

AbstractBackgroundCounseling as part of the informed consent process is a prerequisite for cesarean section (CS). Postnatal debriefing allows women to explore their CS with their healthcare providers (HCPs).ObjectivesTo describe the practices and experiences of counseling and debriefing, the barriers and facilitators to informed consent for CS; and to document the effectiveness of the interventions used to improve informed consent found in the peer‐reviewed literature.Search StrategyThe databases searched were PubMed, EMBASE, PsycINFO, Africa‐wide information, African Index Medicus, IMSEAR and LILACS.Selection CriteriaEnglish‐language papers focusing on consent for CS, published between 2011 and 2022, and assessed to be of medium to high quality were included.Data Collection and AnalysisA narrative synthesis was conducted using Beauchamp and Childress's elements of informed consent as a framework.Main ResultsAmong the 21 included studies reporting on consent for CS, 12 papers reported on counseling for CS, while only one reported on debriefing. Barriers were identified at the service, woman, provider, and societal levels. Facilitators all operated at the provider level and interventions operated at the service or provider levels.ConclusionsThere is a paucity of research on informed consent, counseling, and debriefing for CS in sub‐Saharan Africa.
Frontier of toxicology studies in zebrafish model
Authors: Shao Xinting , Xiao Dandan , Yang Zhaoyi , Jiang Lulu , Li Yong , Wang Ye , Ding Yuling 
Published: September 2023

AbstractBased on the 87 original publications only from quartiles 1 and 2 of Journal Citation Report (JCR) collected by the major academic databases (Science Direct, Web of Science, PubMed, and Wiley) in 2022, the frontier of toxicology studies in zebrafish model is summarized. Herewith, a total of six aspects is covered such as developmental, neurological, cardiovascular, hepatic, reproductive, and immunizing toxicities. The tested samples involve chemicals, drugs, new environmental pollutants, nanomaterials, and its derivatives, along with those related mechanisms. This report may provide a frontier focus benefit to researchers engaging in a zebrafish model for environment, medicine, food, and other fields.
Immunological Characterization of Chronic Nonbacterial Osteomyelitis (CNO) in Adults: A Cross‐Sectional Exploratory Study
Authors: Leerling Anne T. , Andeweg Elisabeth H. , Faber Juliette , Streefland Trea C.M. , Dekkers Olaf M. , Appelman‐Dijkstra Natasha M. , Winter Elizabeth M. 
Published: September 2023

AbstractChronic nonbacterial osteomyelitis (CNO) is a rare disease spectrum affecting children and adults. Adult CNO may occur as isolated bone inflammation, or with a broad range of extraskeletal features. CNO pathophysiology, including the key drivers of inflammation, remains largely unknown. For pediatric CNO, a role for pro‐inflammatory cytokine dysregulation has been proposed, but studies in adults are scarce. We therefore provide immunological characterization of adult CNO. Cross‐sectional study in our referral center including adult CNO patients (n = 172) and healthy controls (n = 65). Inflammation parameters and systemic inflammatory based scores(SIBS, including neutrophil/lymphocyte ratio [NLR] and systemic immune inflammation index [SII]) were compared between groups. Cytokine expression was explored with electrochemiluminescent immunoassays in 33 patients, eight healthy controls and 21 osteoporosis patients. Routine inflammation markers were higher in patients than in controls, but generally remained within reference range. Systemic inflammation was more pronounced in patients with additional vertebral involvement as compared to those osteitis in the anterior chest wall alone, in patients with comorbid pustulosis palmoplantaris or psoriasis, and in patients with strongly rather than moderately increased lesional uptake on nuclear imaging. SII was elevated in CNO patients too, but NLR was not. Cytokine expression was generally nondifferential between patients and both control groups, and patients displayed low absolute concentrations of pro‐inflammatory cytokines. In this adult CNO cohort, systemic inflammation was generally subtle, but more pronounced in patients with vertebral lesions, associated skin disease, and strongly increased uptake on nuclear imaging. SII was increased in patients compared to healthy controls. Contrasting pediatric studies, we found no increased expression of the pro‐inflammatory cytokines that have been proposed to drive the inflammatory cascade, like interleukin‐6, ‐8, and ‐17 (IL‐6, IL‐8, and IL‐17), and tumor necrosis α (TNF‐α). Further studies are needed to evaluate the use of SII in diagnosis and monitoring of CNO, and elucidate the role of cytokine dysregulation in adult disease. © 2023 The Authors.JBMR Pluspublished by Wiley Periodicals LLC. on behalf of American Society for Bone and Mineral Research.
Response of the mechanical and chiral character of ethane to ultra‐fast laser pulses
Authors: Mi Xiao Peng , Lu Hui , Xu Tianlv , Früchtl Herbert , van Mourik Tanja , Paterson Martin J. , Kirk Steven R. , Jenkins Samantha 
Published: September 2023

AbstractA pair of simulated left and right circularly polarized ultra‐fast laser pulses of duration 20 femtoseconds that induce a mixture of excited states are applied to ethane. The response of the electron dynamics is investigated within the next generation quantum theory of atoms in molecules (NG‐QTAIM) using third‐generation eigenvector‐trajectories which are introduced in this work. This enables an analysis of the mechanical and chiral properties of the electron dynamics of ethane without needing to subject the C‐C bond to external torsions as was the case for second‐generation eigenvector‐trajectories. The mechanical properties, in particular, the bond‐flexing and bond‐torsion were found to increase depending on the plane of the applied laser pulses. The bond‐flexing and bond‐torsion, depending on the plane of polarization, increases or decreases after the laser pulses are switched off. This is explainable in terms of directionally‐dependent effects of the long‐lasting superpositions of excited states. The chiral properties correspond to the ethane molecule being classified as formally achiral consistent with previous NG‐QTAIM investigations. Future planned investigations using ultra‐fast circularly polarized lasers are briefly discussed.
Benchmarking boron cluster calculations: Establishing reliable geometrical and energetic references for Bn (n = 1–4)
Authors: Liu Lina , Wei Zhihong , Chen Qiang , Shen Chaoren , Shen Tonghao , Tian Xinxin , Li Si‐Dian 
Published: September 2023

AbstractUsing full configuration interaction (FCI) and multi‐reference configuration interaction methods (MRCI), reliable geometrical and energetic references for Bn (n = 1–4) clusters were established. The accuracy of the computed results was confirmed by comparison with available experimental data. Benchmark calculations indicated that B97D3, B97D, VSXC, HCTH407, BP86 and CCSD(T) methods provided reasonable results for structural parameters, with mean absolute error (MAEs) within 0.020 Å. Among the tested density functional theory (DFT) methods, the VSXC functional showed the best performance in predicting the relative energies of B1B4 with a MAE of 12.8 kJ mol−1. Besides, B1B95, B971, TPSS, B3LYP, and BLYP functionals exhibited reasonable performance with MAE values of less than 15.0 kJ mol−1. T1 diagnostic values between 0.035 and 0.109 at the CCSD(T) level revealed strong correlations in B2B4 clusters, highlighting the need for caution in using CCSD(T) as an energy reference for small boron clusters. The methods of CCSDT, CCSDT(Q) and CCSDT[Q], which incorporate three‐electron and four‐electron excitations, effectively improved the accuracy of the energy calculations.
Managing the sexualization of the dentist‐patient relationship by the patient: Innovative teaching through forum‐theatre
Authors: Germa Alice , Vital Sibylle , Gosset Marjolaine 
Published: September 2023

AbstractDental students may be exposed to patients' sexual behavior. We developed a theater‐forum session whose aims were to identify when the patient's behavior crosses the line, to collectively develop cover strategies, and to present the reporting system. The strategies pointed out by the group were to ask a pair to be present, set limits on personal life, share discomfort to the patient and report the situation to the staff. Theater‐forum is a powerful tool for this learning process
Autophagy and vesicular trafficking in human uveal melanoma: A histopathological study
Authors: Taskaeva Iuliia , Shatruk Anastasia , Bgatova Nataliya , Yeremina Alena , Trunov Aleksander , Kononova Natalya , Chernykh Valeriy 
Published: September 2023

AbstractUveal melanoma is an ocular tumor with a high risk of developing metastases. The endo‐lysosomal system can affect the melanoma progression by accelerating and facilitating invasion or metastasis. This study aims to conduct comparative analysis of normal choroidal melanocytes and uveal melanoma cells ultrastructure with a focus on intracellular transport system, and to examine the patterns of autophagy‐ and vesicular trafficking‐related proteins expression in a case series of uveal melanomas. Transmission electron microscopy was used to assess the ultrastructure of normal choroidal melanocytes and uveal melanoma cells. The expression levels of autophagy‐ and vesicular trafficking‐related proteins in three histological types of uveal melanoma were analyzed by immunofluorescence staining. Electron microscopy results showed that the autophagic vacuoles were more abundant in normal choroidal melanocytes, than in uveal melanoma cells. The normal choroidal melanocytes were characterized by active intracellular vesicular trafficking; however, the proportion of caveolae was higher in uveal melanoma cells. The spindle type of tumor was characterized by a high expression levels of LC3 beta, while Rab7 and Rab11 proteins expression was significantly up‐regulated in the mixed‐type tumor cells. The results indicate that uveal melanoma cells probably have lower basal levels of autophagy and higher receptor‐mediated endocytic trafficking‐associated with caveolae than normal choroidal melanocytes.Research HighlightsThe autophagic vacuoles are abundant in normal choroidal melanocytes.Uveal melanoma cells are characterized by a high proportion of caveolae.The high expression levels of LC3 beta were revealed in a spindle type of tumor, while Rab7 and Rab11 proteins expression was up‐regulated in the mixed‐type tumor cells.
Risk factors for early and late cholecystitis after covered metal stent placement for distal biliary obstruction
Authors: Ishii Tatsuya , Hayashi Tsuyoshi , Yamazaki Hajime , Nakamura Risa , Iwano Kosuke , Ando Ryo , Toyonaga Haruka , Kin Toshifumi , Takahashi Kuniyuki , Katanuma Akio 
Published: September 2023

AbstractBackgroundCholecystitis is a major adverse event after self‐expandable metallic stent placement for distal biliary obstruction (DBO). Covered self‐expandable metallic stent (CSEMS) is being increasingly used, but few studies have investigated risk factors for cholecystitis limited to CSEMS. The present study aimed to identify risk factors for cholecystitis after CSEMS.MethodsPatients who underwent initial CSEMS placement for DBO between November 2014 and September 2021 were enrolled and followed‐up until death, recurrent biliary obstruction, cholecystitis, or until March 2022. Cholecystitis within 30 days of CSEMS was defined as early cholecystitis and after 30 days as late cholecystitis.ResultsCholecystitis occurred in 51 of 339 patients (15%) after CSEMS. Forty‐one patients (80.4%) had early cholecystitis, and 10 (19.6%) had late cholecystitis. Multivariate logistic regression analysis revealed that the maximum diameter of the common bile duct (CBD) (per 1 mm increase) (odds ratio [OR]: 0.87; 95% confidence interval [CI]: 0.76–1.00; p = .044), gallbladder stones (OR: 3.63; 95% CI: 1.62–8.10; p = .002), and tumor involvement in the cystic duct (CD) (OR: 4.87; 95% CI: 2.16–11.00; p < .001) were significant independent risk factors associated with early cholecystitis. No significant risk factors were identified for late cholecystitis.ConclusionsA smaller CBD diameter, gallbladder stones, and tumor involvement in the CD were identified as risk factors for early cholecystitis development after CSEMS.
P2Y12 receptor residues crucial for thrombosis regulation
Authors: Vidhya M. 
Published: September 2023

AbstractThrombosis, or the formation of blood clots, can lead to serious medical conditions such as stroke, heart attack, and deep vein thrombosis. The purinoreceptor P2Y12 plays a critical role in the thrombotic pathway and is targeted for therapy to prevent clot formation. However, it is essential to balance the regulation of thrombosis to avoid adverse situations. This study focuses on the P2Y12 receptor and aims to discern the protein residue network and differentiate residues based on their intramolecular interactions. The study utilized a statistical analysis to characterize the significant residues involved in ligand interaction, which helps to identify critical residues that are essential for the function of the receptor. A parametric analysis of interactions of residues in the intraprotein interaction was conducted, which revealed significant residue‐based contacts that facilitate protein interactions. By examining the interactions between residues, the mechanisms underlying protein interactions were studied and the importance of specific residues in facilitating these interactions was determined. This research provides important information on P2Y12, and the findings based on the network based significance of interacting residues may contribute to the development of new therapies that target the receptor to prevent clot formation while maintaining a balance in thrombosis regulation to avoid adverse outcomes. Ultimately, this study could lead to improved treatments for thrombotic disorders and better patient outcomes.