bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthetic Strategies to Control C–N Atropisomerism in Acyclic Amines and Amides
Authors: Armstrong Roly J. , Campbell Aaron D. G. 
Published: February 2023

AbstractAtropisomeric molecules are a privileged class of stereogenic material that have important applications in catalysis, materials science and medicines. To date, the majority of work has been focused upon biaryl and heterobiaryl scaffolds involving restricted rotation between a pair of cyclic fragments, but C–N atropisomeric molecules based upon amines and amides, where the nitrogen atom is not part of a ring system, are rapidly emerging as an important class of stereogenic molecules. This is the focus of this Short Review, which begins by discussing the factors which influence the configurational stability of such molecules and provides a historical background to their synthesis. This is followed by a detailed discussion of state-of-the-art catalytic asymmetric strategies that are now available to access C–Nacyclic atropisomers including carboxamides, sulfonamides, sulfinamides, phosphamides and diarylamines. A variety of different synthetic approaches are discussed, including kinetic resolution/desymmetrization, amination, C–H functionalization, N-functionalization, and annulation.1	Introduction2	Atropisomerism in Acyclic Amines and Amides3	Synthesis Directed by a Chiral Auxiliary4	Atropselective Synthesis4.1	Kinetic Resolution and Desymmetrization4.2	Electrophilic Amination4.3	C–H Functionalization4.4	N-Functionalization4.5	Annulation5	Conclusions and Outlook
Human-Centered Design of a Clinical Decision Support for Anemia Screening in Children with Inflammatory Bowel Disease
Authors: Miller Steven D. , Murphy Zachary , Gray Joshua H. , Marsteller Jill , Oliva-Hemker Maria , Maslen Andrew , Lehmann Harold P. , Nagy Paul , Hutfless Susan , Gurses Ayse P. 
Published: February 2023

AbstractBackground Inflammatory bowel disease (IBD) commonly leads to iron deficiency anemia (IDA). Rates of screening and treatment of IDA are often low. A clinical decision support system (CDSS) embedded in an electronic health record could improve adherence to evidence-based care. Rates of CDSS adoption are often low due to poor usability and fit with work processes. One solution is to use human-centered design (HCD), which designs CDSS based on identified user needs and context of use and evaluates prototypes for usefulness and usability.Objectives this study aimed to use HCD to design a CDSS tool called the IBD Anemia Diagnosis Tool, IADx.Methods Interviews with IBD practitioners informed creation of a process map of anemia care that was used by an interdisciplinary team that used HCD principles to create a prototype CDSS. The prototype was iteratively tested with “Think Aloud” usability evaluation with clinicians as well as semi-structured interviews, a survey, and observations. Feedback was coded and informed redesign.Results Process mapping showed that IADx should function at in-person encounters and asynchronous laboratory review. Clinicians desired full automation of clinical information acquisition such as laboratory trends and analysis such as calculation of iron deficit, less automation of clinical decision selection such as laboratory ordering, and no automation of action implementation such as signing medication orders. Providers preferred an interruptive alert over a noninterruptive reminder.Conclusion Providers preferred an interruptive alert, perhaps due to the low likelihood of noticing a noninterruptive advisory. High levels of desire for automation of information acquisition and analysis with less automation of decision selection and action may be generalizable to other CDSSs designed for chronic disease management. This underlines the ways in which CDSSs have the potential to augment rather than replace provider cognitive work.
Incidence of Venous Thromboembolism Based on Caprini Score in Deep Inferior Epigastric Perforator Flap Breast Reconstruction
Authors: Wu Shannon S. , Raymer Charles , Schafer Rachel , Culbert August , Bernard Steven , Djohan Risal , Schwarz Graham , Bishop Sarah N. , Gurunian Raffi 
Published: February 2023

Abstract
Background Deep inferior epigastric perforator (DIEP) flaps are commonly used for autologous breast reconstruction, but reported rates of venous thromboembolism (VTE) are up to 6.8%. This study aimed to determine the incidence of VTE based on preoperative Caprini score following DIEP breast reconstruction.
Methods This retrospective study included patients who underwent DIEP flaps for breast reconstruction between January 1, 2016 and December 31, 2020 at a tertiary-level, academic institution. Demographics, operative characteristics, and VTE events were recorded. Receiver operating characteristic analysis was performed to determine the area under the curve (AUC) of the Caprini score for VTE. Univariate and multivariate analyses assessed risk factors associated with VTE.
Results This study included 524 patients (mean age 51.2 ± 9.6 years). There were 123 (23.5%) patients with the Caprini score of 0 to 4, 366 (69.8%) with scores 5 to 6, 27 (5.2%) with scores 7 to 8, and 8 (1.5%) patients with scores >8. Postoperative VTE occurred in 11 (2.1%) patients, at a median time of 9 days (range 1–30) after surgery. VTE incidence by the Caprini score was 1.9% for scores 3 to 4, 0.8% for scores 5 to 6, 3.3% for scores 7 to 8, and 13% for scores >8. The Caprini score achieved an AUC of 0.70. A Caprini score >8 was significantly predictive of VTE on multivariable analysis relative to scores 5 to 6 (odds ratio = 43.41, 95% confidence interval = 7.46–252.76, p < 0.001).
Conclusion In patients undergoing DIEP breast reconstruction, VTE incidence was highest (13%) in Caprini scores greater than eight despite chemoprophylaxis. Future studies are needed to assess the role of extended chemoprophylaxis in patients with high Caprini scores.
Risky business: voluntary sex workers as suitable victims of work-related crimes in a legalised prostitution environment
Authors: Molnar Lorena , Aebi Marcelo F. 
Published: February 2023

AbstractMany studies have analysed the violence to which sex workers (SWs) are exposed in countries where prostitution is criminalised, but violence in sex work when it is a legal and freelance activity has seldom been studied. This study is based on non-systematic participant observation and 14 interviews conducted with cisgender and transgender freelance SWs exercising their profession in Switzerland. Findings show that all the participants had been victims of work-related offences and that their victimisation can be interpreted through the updated version of Routine Activities Theory. Few reported the victimisation to the police although in general, they said that they appreciated the Swiss police. Most common perpetrators were customers, passers-by, and colleagues. The places where offences occurred can be defined as risky settings. The police, the SWs themselves and other actors such as social workers are identified as controllers, while the legal framework and NGOs themselves can be labelled as super-controllers. Our study suggests that public policies should not be limited simply to regulating prostitution, but also continuing to ensure SW’s safety by developing evidence-based prevention strategies.
The effects of the aesthetics and composition of hotels’ digital photo images on online booking decisions
Authors: Cuesta-Valiño Pedro , Kazakov Sergey , Gutiérrez-Rodríguez Pablo , Rua Orlando Lima 
Published: February 2023

AbstractPhotographic images help customers perceive product information more accurately and clearly. A customer’s perception of a particular product also influences their decision to purchase it. In the context of a hotel, guests evaluate digital hotel photos online during their booking decision process. While a large body of research has contributed to the understanding of how hotel online digital images shape hotel customer behaviour, little is known about the aesthetics, content, and composition of hotel images and their effects on booking decisions. In addition, previous research has routinely been criticised for having methodological limitations. These studies have routinely used surveys and experiments to explore how hotel pictures affect customer perception of the hotel and his/her booking intentions. Unlike prior studies, this research scopes a determination of the ‘selling’ properties pertinent to the hotel’s digital images placed online on the hotel-themed websites with the application of the latest technologies pursuant to visual data mining, processing and analysis. This study employed Google’s Inception v3 neural network as an AI solution for embedding and classifying hotel photo images with the further application of logistic regression and fuzzy cognitive mapping method. The results of the present study determined the hotel picture properties that may engender positive customer perception of the hotel and sequentially can precipitate hotel booking. The revealed ‘selling’ hotel image properties comprise (a) light and time of the photo shooting, (b) image colour scheme, (c) human presence, and (d) shooting angle. This study suggests a set of practical recommendations to hotel marketers to develop ‘selling’ photo images that generate hotel bookings online. The completed research is one of the first in the nascent literature stream in AI-powered computer vision solutions studies to determine the effects of photo aesthetics on online hotel bookings.
Collision-induced three-body polarizability of helium
Authors: Lang J. , Przybytek M. , Lesiuk M. , Jeziorski B. 
Published: February 2023

We present the first-principles determination of the three-body polarizability and the third dielectric virial coefficient of helium. Coupled-cluster and full configuration interaction methods were used to perform electronic structure calculations. The mean absolute relative uncertainty of the trace of the polarizability tensor, resulting from the incompleteness of the orbital basis set, was found to be 4.7%. Additional uncertainty due to the approximate treatment of triple and the neglect of higher excitations was estimated at 5.7%. An analytic function was developed to describe the short-range behavior of the polarizability and its asymptotics in all fragmentation channels. We calculated the third dielectric virial coefficient and its uncertainty using the classical and semiclassical Feynman–Hibbs approaches. The results of our calculations were compared with experimental data and with recent Path-Integral Monte Carlo (PIMC) calculations [Garberoglio et al., J. Chem. Phys. 155, 234103 (2021)] employing the so-called superposition approximation of the three-body polarizability. For temperatures above 200 K, we observed a significant discrepancy between the classical results obtained using superposition approximation and the ab initio computed polarizability. For temperatures from 10 K up to 200 K, the differences between PIMC and semiclassical calculations are several times smaller than the uncertainties of our results. Except at low temperatures, our results agree very well with the available experimental data but have much smaller uncertainties. The data reported in this work eliminate the main accuracy bottleneck in the optical pressure standard [Gaiser et al., Ann. Phys. 534, 2200336 (2022)] and facilitate further progress in the field of quantum metrology.
Deficiency of the minor spliceosome component U4atac snRNA secondarily results in ciliary defects in human and zebrafish
Authors: Khatri Deepak , Putoux Audrey , Cologne Audric , Kaltenbach Sophie , Besson Alicia , Bertiaux Eloïse , Guguin Justine , Fendler Adèle , Dupont Marie A. , Benoit-Pilven Clara , Qebibo Leila , Ahmed-Elie Samira , Audebert-Bellanger Séverine , Blanc Pierre , Rambaud Thomas , Castelle Martin , Cornen Gaëlle , Grotto Sarah , Guët Agnès , Guibaud Laurent , Michot Caroline , Odent Sylvie , Ruaud Lyse , Sacaze Elise , Hamel Virginie , Bordonné Rémy , Leutenegger Anne-Louise , Edery Patrick , Burglen Lydie , Attié-Bitach Tania , Mazoyer Sylvie , Delous Marion 
Published: February 2023

In the human genome, about 750 genes contain one intron excised by the minor spliceosome. This spliceosome comprises its own set of snRNAs, among which U4atac. Its noncoding gene,
RNU4ATAC
, has been found mutated in Taybi-Linder (TALS/microcephalic osteodysplastic primordial dwarfism type 1), Roifman (RFMN), and Lowry-Wood (LWS) syndromes. These rare developmental disorders, whose physiopathological mechanisms remain unsolved, associate ante- and post-natal growth retardation, microcephaly, skeletal dysplasia, intellectual disability, retinal dystrophy, and immunodeficiency. Here, we report bi-allelic
RNU4ATAC
mutations in five patients presenting with traits suggestive of the Joubert syndrome (JBTS), a well-characterized ciliopathy. These patients also present with traits typical of TALS/RFMN/LWS, thus widening the clinical spectrum of
RNU4ATAC
-associated disorders and indicating ciliary dysfunction as a mechanism downstream of minor splicing defects. Intriguingly, all five patients carry the n.16G>A mutation, in the Stem II domain, either at the homozygous or compound heterozygous state. A gene ontology term enrichment analysis on minor intron-containing genes reveals that the cilium assembly process is over-represented, with no less than 86 cilium-related genes containing at least one minor intron, among which there are 23 ciliopathy-related genes. The link between
RNU4ATAC
mutations and ciliopathy traits is supported by alterations of primary cilium function in TALS and JBTS-like patient fibroblasts, as well as by
u4atac
zebrafish model, which exhibits ciliopathy-related phenotypes and ciliary defects. These phenotypes could be rescued by WT but not by pathogenic variants-carrying human U4atac. Altogether, our data indicate that alteration of cilium biogenesis is part of the physiopathological mechanisms of TALS/RFMN/LWS, secondarily to defects of minor intron splicing.
Liver X receptor controls follicular helper T cell differentiation via repression of TCF-1
Authors: Kim Jiyeon , Lee Haeseung , Lee Jeong-Eun , Choi Garam , Chung Hayeon , Kim Daehong , Park Min Jung , Gye Yong Seok , Shin Kwang-Soo , Kang Chang-Yuil , Kwok Seung-Ki , Chung Yeonseok 
Published: February 2023

Liver X receptor (LXR) is a critical regulator of cholesterol homeostasis that inhibits T cell receptor (TCR)-induced proliferation by altering intracellular sterol metabolism. However, the mechanisms by which LXR regulates helper T cell subset differentiation remain unclear. Here, we demonstrate that LXR is a crucial negative regulator of follicular helper T (Tfh) cells in vivo. Both mixed bone marrow chimera and antigen-specific T cell adoptive cotransfer studies show a specific increase in Tfh cells among LXRβ-deficient CD4
+
T cell population in response to immunization and lymphocytic choriomeningitis mammarenavirus (LCMV) infection. Mechanistically, LXRβ-deficient Tfh cells express augmented levels of T cell factor 1 (TCF-1) but comparable levels of Bcl6, CXCR5, and PD-1 in comparison with those of LXRβ-sufficient Tfh cells. Loss of LXRβ confers inactivation of GSK3β induced by either AKT/Extracellular signal-regulated kinase (ERK) activation or Wnt/β-catenin pathway, leading to elevated TCF-1 expression in CD4
+
T cells. Conversely, ligation of LXR represses TCF-1 expression and Tfh cell differentiation in both murine and human CD4
+
T cells. LXR agonist significantly diminishes Tfh cells and the levels of antigen-specific IgG upon immunization. These findings unveil a cell-intrinsic regulatory function of LXR in Tfh cell differentiation via the GSK3β-TCF1 pathway, which may serve as a promising target for pharmacological intervention in Tfh-mediated diseases.
Enhancing the activity of Pd ensembles on graphene by manipulating coordination environment
Authors: Huang Dahong , Rigby Kali , Chen Weirui , Wu Xuanhao , Niu Junfeng , Stavitski Eli , Kim Jae-Hong 
Published: February 2023

Atomic dispersion of metal catalysts on a substrate accounts for the increased atomic efficiency of single-atom catalysts (SACs) in various catalytic schemes compared to the nanoparticle counterparts. However, lacking neighboring metal sites has been shown to deteriorate the catalytic performance of SACs in a few industrially important reactions, such as dehalogenation, CO oxidation, and hydrogenation. Metal ensemble catalysts (M
n
), an extended concept to SACs, have emerged as a promising alternative to overcome such limitation. Inspired by the fact that the performance of fully isolated SACs can be enhanced by tailoring their coordination environment (CE), we here evaluate whether the CE of M
n
can also be manipulated in order to enhance their catalytic activity. We synthesized a set of Pd ensembles (Pd
n
) on doped graphene supports (Pd
n
/X-graphene where X = O, S, B, and N). We found that introducing S and N onto oxidized graphene modifies the first shell of Pd
n
converting Pd–O to Pd–S and Pd–N, respectively. We further found that the B dopant significantly affected the electronic structure of Pd
n
by serving as an electron donor in the second shell. We examined the performance of Pd
n
/X-graphene toward selective reductive catalysis, such as bromate reduction, brominated organic hydrogenation, and aqueous-phase CO
2
reduction. We observed that Pd
n
/N-graphene exhibited superior performance by lowering the activation energy of the rate-limiting step, i.e., H
2
dissociation into atomic hydrogen. The results collectively suggest controlling the CE of SACs in an ensemble configuration is a viable strategy to optimize and enhance their catalytic performance.
Combined wave emission system based on dual resonance method for airborne transient electromagnetic detection
Authors: Zhang Xinhao , Pang Xiaoyu , Liu Weiyu , Yu Shengbao , Zhang Zhaolin 
Published: February 2023

Abstract
To improve the detection efficiency of airborne transient electromagnetic method (ATEM) and reduce the times of flight experiments, a dual resonance-based combined wave emission circuit is proposed in this paper, which realizes the combined emission of half-sine wave and triangular wave through the selection of different resonant branches. Based on the operating principle of the proposed emission circuit, the model of second-order resistor-inductor-capacitor equivalent circuit is established. Then, the generation process of the combined wave is analyzed, and the segmentation control method is proposed. Finally, the feasibility and effectiveness of the proposed combined wave emission system are verified by simulation model building and prototype testing, and the results show that the emission current has good quality and high stability. Compared with the traditional emission of single wave current, the combined wave current has the advantages of large magnetic moment of half-sine wave and rich high-frequency components of triangular narrow pulse, which can effectively expand the detection range and improve the measurement efficiency of ATEM.
Transcranial 3D ultrasound localization microscopy using a large element matrix array with a multi-lens diffracting layer: an in vitro study
Authors: Favre Hugues , Pernot Mathieu , Tanter Mickael , Papadacci Clément 
Published: February 2023

Abstract

Objective. Early diagnosis and acute knowledge of cerebral disease require to map the microflows of the whole brain. Recently, ultrasound localization microscopy (ULM) was applied to map and quantify blood microflows in 2D in the brain of adult patients down to the micron scale. Whole brain 3D clinical ULM remains challenging due to the transcranial energy loss which reduces significantly the imaging sensitivity. Approach. Large aperture probes with a large surface can increase both the field of view and sensitivity. However, a large active surface implies thousands of acoustic elements, which limits clinical translation. In a previous simulation study, we developed a new probe concept combining a limited number of elements and a large aperture. It is based on large elements, to increase sensitivity, and a multi-lens diffracting layer to improve the focusing quality. In this study, a 16 elements prototype, driven at 1 MHz frequency, was made and in vitro experiments were performed to validate the imaging capabilities of this new probe concept. Main results. First, pressure fields emitted from a large single transducer element without and with diverging lens were compared. Low directivity was measured for the large element with the diverging lens while maintaining high transmit pressure. The focusing quality of 4 × 3cm matrix arrays of 16 elements without/with lenses were compared. In vitro experiments in a water tank and through a human skull were achieved to localize and track microbubbles in tubes. Significance. ULM was achieved demonstrating the strong potential of multi-lens diffracting layer to enable microcirculation assessment over a large field of view through the bones.
Timing advances of commercial divalent-ion co-doped LYSO:Ce and SiPMs in sub-100 ps time-of-flight positron emission tomography
Authors: Nadig Vanessa , Herweg Katrin , Chou Mitch M C , Lin Jack W C , Chin Edmund , Li Chu-An , Schulz Volkmar , Gundacker Stefan 
Published: February 2023

Abstract

Objective. Together with novel photodetector technologies and emerging electronic front-end designs, scintillator material research is one of the key aspects to obtain ultra-fast timing in time-of-flight positron emission tomography (TOF-PET). In the late 1990s, Cerium-doped lutetium–yttrium oxyorthosilicate (LYSO:Ce) has been established as the state-of-the-art PET scintillator due to its fast decay time, high light yield and high stopping power. It has been shown that co-doping with divalent ions, such as Ca 2+ and Mg 2+, is beneficial for its scintillation characteristics and timing performance. Therefore, this work aims to identify a fast scintillation material to combine it with novel photosensor technologies to push the state of the art in TOF-PET. Approach. This study evaluates commercially available LYSO:Ce,Ca and LYSO:Ce,Mg samples manufactured by Taiwan Applied Crystal Co., LTD regarding their rise and decay times as well as their coincidence time resolution (CTR) with both ultra-fast high-frequency (HF) readout and commercially available readout electronics, i.e. the TOFPET2 ASIC. Main results. The co-doped samples exhibit state-of-the-art rise times of on average 60 ps and effective decay times of on average 35 ns. Using the latest technological improvements made on NUV-MT SiPMs by Fondazione Bruno Kessler and Broadcom Inc., a 3 × 3 × 19 mm3 LYSO:Ce,Ca crystal achieves a CTR of 95 ps (FWHM) with ultra-fast HF readout and 157 ps (FWHM) with the system-applicable TOFPET2 ASIC. Evaluating the timing limits of the scintillation material, we even show a CTR of 56 ps (FWHM) for small 2 × 2 × 3 mm3 pixels. A complete overview of the timing performance obtained with different coatings (Teflon, BaSO4) and different crystal sizes coupled to standard Broadcom AFBR-S4N33C013 SiPMs will be presented and discussed. Significance. This work thoroughly evaluates commercially available co-doped LYSO:Ce crystals and, in combination with novel NUV-MT SiPMs, shows a TOF performance that significantly exceeds the current state of the art.