bluuebunny/crossref_metadata_2025 huggingface dataset:
Evidence of symmetry breaking in a Gd2di-nuclear molecular polymer
Authors: Ekanayaka Thilini , Jiang Tao , Delahaye Emilie , Perez Olivier , Sutter Jean-Pascal , Le Duy , N'Diaye Alpha T. , Streubel Robert , Rahman Talat S. , Dowben Peter A.
Published: January 2023

A chiral 3D coordination compound, [Gd2(L)2(ox)2(H2O)2], arranged around a dinuclear Gd unit has been characterized by X-ray photoemission and X-ray absorption measurements in the context of density functional theory studies.
Divalent closo-monocarborane solvates for solid-state ionic conductors
Authors: Berger Amanda , Ibrahim Ainee , Buckley Craig E. , Paskevicius Mark
Published: January 2023

Solid-state solvated divalent metal closo-monocarba-dodecaborane salts (M[CB11H12]2 where M = Mg, Ca or Zn) have been prepared and characterized.
An artificial neural network model to predict structure-based protein–protein free energy of binding from Rosetta-calculated properties
Authors: Ferraz Matheus V. F. , Neto José C. S. , Lins Roberto D. , Teixeira Erico S.
Published: January 2023

An artificial neural network protocol to compute protein–protein free energy of binding.
Three non-bonding interaction topologies of the thiazole–formaldehyde complex observed by rotational spectroscopy
Authors: Li Wenqin , Xu Yugao , Jin Yan , Li Xiaolong , Caminati Walther , Feng Gang
Published: January 2023

The competition of n → π* interactions and hydrogen bonds in determining the binding topologies of thiazole and formaldehyde was unveiled by rotational spectroscopy and computations.
Transfer learning for chemically accurate interatomic neural network potentials
Authors: Zaverkin Viktor , Holzmüller David , Bonfirraro Luca , Kästner Johannes
Published: January 2023

We study the capability of transfer learning for efficiently generating chemically accurate interatomic neural network potentials.
Ions, electrons, coincidences and dynamics
Authors: Feifel Raimund , Hochlaf Majdi , Price Stephen
Published: January 2023

This themed collection includes a collection of articles on ions, electrons, coincidences and dynamics: Festschrift for John H. D. Eland.
A sustainable iron-catalyzed aerobic oxidative C–C and C–O bond cleavage of a lignin model to phenol and methyl benzoate
Authors: Guo Shaoyuan , Tong Xinli , Meng Lingwu , Yang Guobao
Published: January 2023

A sustainable and heterogeneous iron-mediated oxidative cleavage of lignin to phenol and methyl benzoate is achieved in the presence of molecular oxygen.
Investigating the mechanism of Ni-mediated trifluoromethylthiolation of aryl halides using AgSCF3
Authors: Chiu Weiling , Nadeau Ben E. , Patrick Brian O. , Love Jennifer A.
Published: January 2023

The mechanism of the Ni-catalysed trifluoromethylthiolation of aryl chlorides using AgSCF3 is studied herein.
Multifunctional and asymmetrically superwettable Janus membrane for all-day freshwater harvesting
Authors: Song Minjie , Zhu Zhigao , Qi Junwen , Zhou Yujun , Li Jiansheng
Published: January 2023

An asymmetrically superwettable Janus membrane utilizes natural resources without CO2 emission for all-day freshwater harvesting.
Structural correlations of nitrogenase active sites using nuclear resonance vibrational spectroscopy and QM/MM calculations
Authors: Van Stappen Casey , Benediktsson Bardi , Rana Atanu , Chumakov Aleksandr , Yoda Yoshitaka , Bessas Dimitrios , Decamps Laure , Bjornsson Ragnar , DeBeer Serena
Published: January 2023

57Fe NRVS and QM/MM are paired to identify key spectral components corresponding to the catalytic cofactors of the three nitrogenases.
An integrated microfluidic chip for studying the effects of neurotransmitters on neurospheroids
Authors: Mao Subin , Fonder Catherine , Rubby Md Fazlay , Phillips Gregory J. , Sakaguchi Donald S. , Que Long
Published: January 2023

To improve our understanding of how the central nervous system functions, we report the development of an integrated chip for studying the effects of the neurotransmitters on adult rat hippocampal progenitor cell neurospheroids.
Special structural and dynamical interplay of cyano-based novel deep eutectic solvents
Authors: Fan Chen , Shan Yuwei , Yin Yaqi , Cao Xueli
Published: January 2023

The nanostructure of the designed cyano-based deep eutectic solvents was elucidated by experimental characterization, quantum mechanical calculations, and molecular dynamics simulations.
Synthesis of the ABC ring system of kadlongilactones
Authors: Li Liang , Li Pengfei , Li Tianhao , Zhang Mingxiao , Liu Wenjie , Li Jing , Wang Liang , Chen Yue
Published: January 2023

The ABC ring system of kadlongilactones was constructedviadouble vicinal difunctionalization, iodolactonization and ring-closing metathesis.
A facile one-pot strategy for the preparation of porous polymeric microspheres via UV irradiation-induced polymerization in emulsions
Authors: Tao Junjie , Wu Kaiyun , Chen Yaxin , Li Wei , Gu Yao , Liu Ren , Luo Jing
Published: January 2023

In this study, a facile one-pot strategy was developed to prepare porous polymeric microspheres via photopolymerization, where organic solvents functioned as porogens.
Construction of a S and Fe co-regulated metal Ni electrocatalyst for efficient alkaline overall water splitting
Authors: Zang Zehao , Guo Qianjin , Li Xiang , Cheng Yahui , Li Lanlan , Yu Xiaofei , Lu Zunming , Yang Xiaojing , Zhang Xinghua , Liu Hui
Published: January 2023

Clarification of the catalytic mechanism of a S and Fe co-regulated Ni metal catalyst for alkaline overall water splitting.
Simulation of polymeric mixed ionic and electronic conductors with a combined classical and quantum mechanical model
Authors: Landi Alessandro , Reisjalali Maryam , Elliott Joshua D. , Matta Micaela , Carbone Paola , Troisi Alessandro
Published: January 2023

We present a model enabling the simulation of doped polymers in the vicinity of water and ions taking into account large electronic rearrangements coupled with slow dynamics.
A simple method for fabricating drugs containing acis-o-diol structure into guanosine-based supramolecular hydrogels for drug delivery
Authors: Xia Xin , Song Shaojuan , Wen Yinghui , Qi Jiajia , Cao Lideng , Liu Xian , Zhou Ronghui , Zhao Hang
Published: January 2023

The process of transforming drugs with a cis-o-diol structure into a guanosine-based supramolecular hydrogel as a drug release dosage form through dynamic borate ester bonds.
Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species
Authors: Sharp-Bucknall Lachlan , Sceney Marcus , White Keith F. , Dutton Jason L.
Published: January 2023

Targeted isolation of two previously inaccessible I(iii) halotriflates. The chloride analoge is a powerful electrophilic chlorinating reagent that can be generated in a catalytic manner to enhance Cl2 reactivity.
Coupling of plasmonic hot spots with shurikens for superchiral SERS-based enantiomer recognition
Authors: Guselnikova Olga , Elashnikov Roman , Svorcik Vaclav , Kartau Martin , Gilroy Cameron , Gadegaard Nikolaj , Kadodwala Malcolm , Karimullah Affar S. , Lyutakov Oleksiy
Published: January 2023

We suggest surface-enhanced Raman spectroscopy sensor based on chiral shurikens coupled with an array of Ag clusters, which can generate near-chiral plasmonic field using linearly polarized light to enantioselective enhance organic molecules.
BH3 mimetics and TKI combined therapy for Chronic Myeloid Leukemia
Authors: Brumatti Gabriela , Kaloni Deeksha , Castro Fabíola Attié , Amarante-Mendes Gustavo P.
Published: January 2023

Chronic myeloid leukemia (CML) was considered for a long time one of the most hostile leukemia that was incurable for most of the patients, predominantly due to the extreme resistance to chemotherapy. Part of the resistance to cell death (apoptosis) is the result of increased levels of anti-apoptotic and decreased levels of pro-apoptotic member of the BCL-2 family induced by the BCR-ABL1 oncoprotein. BCR-ABL1 is a constitutively active tyrosine kinase responsible for initiating multiple and oncogenic signaling pathways. With the development of specific BCR-ABL1 tyrosine kinase inhibitors (TKIs) CML became a much more tractable disease. Nevertheless, TKIs do not cure CML patients and a substantial number of them develop intolerance or become resistant to the treatment. Therefore, novel anti-cancer strategies must be developed to treat CML patients independently or in combination with TKIs. Here, we will discuss the mechanisms of BCR-ABL1-dependent and -independent resistance to TKIs and the use of BH3-mimetics as a potential tool to fight CML.
Quantifying Pharyngeal Residue Across the Adult Life Span: Normative Values by Age, Gender, and Swallow Task
Authors: Garand Kendrea L. (Focht) , Grissett Addison , Corbett Mary Mason , Molfenter Sonja , Herzberg Erica G. , Kim Han Joe , Choi Dahye
Published: January 2023

Purpose:

We quantified pharyngeal residue using pixel-based methods in a normative data set, while examining influences of age, gender, and swallow task.

Method:

One hundred ninety-five healthy participants underwent a videofluoroscopic swallow study following the Modified Barium Swallow Impairment Profile (MBSImP) protocol. ImageJ was used to compute Normalized Residue Ratio Scale and the Analysis of Swallowing Physiology: Events, Kinematics and Timing (ASPEKT) pharyngeal residue measures. Reliability was established. Descriptive statistics were performed for all residue measures. Inferential statistics were performed using ASPEKT total scores (i.e., %C2–4
2
). Logistic regression models explored predictors of residue versus no residue. Generalized linear mixed models explored predictors of nonzero residue. Spearman rho explored relationships between ASPEKT total residue scores and MBSImP Component 16 (Pharyngeal Residue) scores.

Results:

Majority of swallows (1,165/1,528; 76.2%) had residue scores of zero. Residue presence (%C2–4
2
> 0) was influenced by age (more in older [
F
= 9.908,
p
= .002]), gender (more in males [
F
= 18.70,
p
< .001]), viscosity (more in pudding, nectar, and honey [
F
= 25.30,
p
< .001]), and volume (more for cup sip [
F
= 37.430,
p
< .001]). When residue was present (363/1,528 = 23.8%), amounts were low (
M
= 1% of C2–4
2
,
SD
= 2.4), and only increasing age was associated with increased residue (
F
= 9.008,
p
= .007) when controlling for gender and swallow task. Increasing residue was incremental (0.01% of C2–4
2
per year). As ASPEKT total residue values increased, MBSImP Component 16 scores also increased.

Conclusions:

Pharyngeal residue amounts were very low in healthy adults. Residue presence can be influenced by age, gender, and swallow task. However, when present, the amount of pharyngeal residue was only associated with increasing age.

Supplemental Material:

https://doi.org/10.23641/asha.21957221
Frequency‐to‐spectrum mapping GAN for semisupervised hyperspectral anomaly detection
Authors: Wang Degang , Gao Lianru , Qu Ying , Sun Xu , Liao Wenzhi
Published: January 2023

Most unsupervised or semisupervised hyperspectral anomaly detection (HAD) methods train background reconstruction models in the original spectral domain. However, due to the noise and spatial resolution limitations, there may be a lack of discrimination between backgrounds and anomalies. This makes it easy for the autoencoder to capture the low‐level features shared between the two, thereby increasing the difficulty of separating anomalies from the backgrounds, which runs counter to the purpose of HAD. To this end, the authors map the original spectrums to the fractional Fourier domain (FrFD) and reformulate it as a mapping task in which restoration errors are employed to distinguish background and anomaly. This study proposes a novel frequency‐to‐spectrum mapping generative adversarial network for HAD. Specifically, the depth separable features of backgrounds and anomalies are enhanced in the FrFD. Due to the semisupervised approach, FTSGAN needs to learn the embedded features of the backgrounds, thus mapping and restoring them from the FrFD to the original spectral domain. This strategy effectively prevents the model from focussing on the numerical equivalence of input and output, and restricts the ability of FTSGAN to restore anomalies. The comparison and analysis of the experiments verify that the proposed method is competitive.
Energy‐efficient covert communication with adaptive assist nodes group
Authors: Wan Zehan , Huang Ying , Lei Jing , Lai Ke , Huang Luying
Published: January 2023

In this paper, a joint detection strategy of Willie based on two phases observation is proposed and an energy‐efficient covert communication scheme with an adaptive assist nodes group (AANG) based on uniform jamming power (UJP) strategy is proposed to against the joint‐phase detection of Willie, which achieves covert communication with lower energy cost and higher average covert rate (ACR). The probability of detection error (PDE) at Willie with joint‐phase detection and ACR are derived. Furthermore, the optimal power allocation of legitimate transmitters is resolved to maximize ACR. Numerical results demonstrate the benefit of the proposed scheme over the covert rate and consumed jamming power.
Attitude stabilization of spacecraft simulator based on modified constrained feedback linearization model predictive control
Authors: Khodaverdian Maria , Malekzadeh Maryam
Published: January 2023

This paper aims to discuss the approach of constrained modified feedback linearization model predictive control for the spacecraft simulator. By utilizing the high accuracy and constrained properties of model predictive control (MPC), an optimum MPC is designed for the spacecraft feedback linearized system. The composite controller has the ability to control both the attitude and angular velocity of the reaction wheels (i.e. steering the angular momentum to zero at the end of the maneuver). The simulation and experimental results demonstrate that the proposed hybrid controller has an insignificant calculative cost and facilitates the spacecraft to perform regulation maneuver with sufficient precision in the presence of external torques and actuator saturations.
Temperature inversions in France – Part A: time variations
Authors: Joly Daniel , Richard Yves
Published: January 2023

Temperature inversions in mainland France are computed using a network of 859 sampling sites spread as evenly as possible across the country. Each site comprises a high station located within 30 km of the low station with which it is paired. We use the daily minimum (tn) and maximum (tx) temperatures from Météo-France weather stations over 10 years (2008–2017). The time variations of three inversion characteristics (frequency, intensity, and duration) are explored. The primary result is the high frequency of inversions. On average, for the 859 sites, tn-inversions occur on 63% of days and tx-inversions on 22.6%. Inversion intensity is usually weak, the mode being 2°C for tn and 1°C for tx. However, high intensities may be reached (maximum 23.6°C for tn and 22.6°C for tx). The longest sequence of isolated tn-inversions (the inversion is destroyed in the daytime but recurs over several days) ran for more than four months (126 days). Such inversions occur most frequently from August to October. The longest sequence of isolated tx-inversions (the inversion is destroyed overnight) ran for 38 days. Such inversions are most common from November to February. The longest persistent inversion (night and day) lasted 88 days. Persistent inversions occur most frequently from November to January. The results as a whole reveal a number of original points: the existence of a large number of tx-inversion sequences, the seasonal pattern very clearly differentiating tn- and tx-inversions, and the significance of atmospheric conditions.
Temperature inversions in France – Part B: Spatial variations
Authors: Joly Daniel , Richard Yves
Published: January 2023

Our database comprises daily minimum and maximum temperatures observed over 10 years at 859 pairs of meteorological stations throughout France. Each pairing associates a low and a high station. The influence of six predictors on the intensity, frequency, and duration of temperature inversions is measured by linear regressions. Five predictors are drawn from a 250 m-resolution DTM: elevation, depth of the valley where the low stations are located, magnitude of positive relief (ridge, hills), gradient of the slope of the hill or mountainside, and altitudinal amplitude between the high and the low station. The sixth descriptor used is the distance to the nearest sea. Topography exerts a major influence over the formation of thermal inversions. Three of the descriptors account for more than 80% of the variance of the inversion characters: distance to the sea, valley depth, and altitudinal amplitude. Elevation explains only 24% of that variance. The spatial distribution of the three characteristics of the inversions highlights several categorizations that fit into several nested scales. The 859 sites can be arranged into three classes relating to mountains, coastal areas, and plateaus. However, their distribution over the area under consideration is unclear and fails to indicate sharply delimited groupings.
Le climat dans les films catastrophe, dystopiques et post-apocalyptiques
Authors: Planchon Olivier , Pohl Benjamin , Pouzet Pierre , Lallement Brice , Jacob-Rousseau Nicolas
Published: January 2023

Depuis le début des années 2000, le « climato-pessimisme » est devenu un objet cinématographique de plus en plus prisé par les spectateurs, traduisant certaines angoisses de la société actuelle. Ainsi, les films catastrophe, dystopiques et post-apocalyptiques ne sont pas que de simples divertissements et manifestations de certains effets de mode, ils sont aussi le reflet des avancées scientifiques de leur temps. Dans cet article, 55 films ont été sélectionnés en fonction des différentes représentations du climat et des conditions météorologiques qu’ils proposent. Le climat est présenté et perçu très différemment d’un film à un autre. Bien que le changement climatique soit souvent devenu un contexte privilégié dans les scénarios des films récents, il n’est pas forcément mis en avant par rapport à d’autres menaces de grande ampleur auxquelles l’humanité pourrait faire face. Des conditions météo-climatiques hostiles confèrent en effet une ambiance adéquate qui s’ajoute aux multiples tourments subis par les protagonistes. L’analyse des phénomènes météo-climatiques fait ressortir certaines tentatives de se référer à des travaux et résultats scientifiques reconnus, si possible en lien avec des phénomènes aux impacts aussi spectaculaires que catastrophiques, et permet ainsi d’adresser des messages d’alerte et de mise en garde aux spectateurs. De nombreux films montrent aussi une certaine propension à plonger la Terre dans l’aridité. Au-delà de la pertinence scientifique plus ou moins valide d’une possible aridification selon le scénario concerné, l’esthétique des environnements désertiques (villes ensablées, tempêtes de poussière) est sans doute un effet délibérément recherché dans cette catégorie de films.
Integrated thermo-poro-mechanical characterization for CO2 Sequestration at deep aquifer conditions
Authors: Govindarajan Sudarshan , Aldin Munir , Thombare Akshay , Abdulbaki Omar , Gokaraju Deepak , Mitra Abhijit , Patterson Robert
Published: January 2023

Modelling and forecasting of injected CO2 plume behaviour is an essential step in the baseline, monitoring, and verification [BMV] process in the CO2 sequestration lifecycle. The goal of reduction of uncertainty through forecasting models, can be better realized by accounting for the thermo-poro-mechanical nature of the deep subsurface reservoir systems. The current study focusses on developing and refining a laboratory workflow which will help in generating representative static and dynamic datasets at ambient and deep aquifer conditions. The workflow involves characterizing the poroelastic Biot coefficient and mechanical properties at ambient, high temperatures and at reservoir representative stress conditions. This information will be combined with the dataset from a CO2 flood experiment which replicates the displacement of brine by super critical CO2 at ambient and high temperatures and at reservoir representative stresses. Resistivity and acoustic signals will be monitored throughout the flood experiment. Existing analytical models for fluid substitution such as the Biot-Gassmann-Brie populated with representative data will be evaluated for finding the best description of the experimental observations. The integrated results of the workflow are meant to help develop better informed static and dynamic models improving the confidence in the BMV process of CCUS.
A Bayesian optimization approach to the extraction of intrinsic physical parameters from T2 relaxation responses
Authors: Li Rupeng , Shikhov Igor , Arns Christoph H.
Published: January 2023

NMR transverse relaxation responses in porous media provide a sensitive probe of the micro-structure yet are influenced by a set of factors which are not easily detangled. Low-field T2 transverse relaxation measurements can be carried out quickly and are frequently used to derive pore size distributions and determine derivate parameters like movable fluid volumes or permeability. Here we present an inverse solution workflow extracting related intrinsic physical parameters of the system by tightly fitting experiment and numerical simulation(s). We propose a Bayesian optimization approach that determines five T2 related properties associated with two values of temperature simultaneously. This concurrent optimization (CO-OPT) utilizes Gaussian process regression to determine the intrinsic physical parameters leading to a match to experiment with a minimal number of function evaluations. A multi-modal search strategy is employed to identify non-unique solution sets of the problem. The workflow is demonstrated on Bentheimer sandstone, identifying five intrinsic physical parameters simultaneously, namely the surface relaxivity of quartz and the effective diffusion and relaxation times of the clay regions at 20∘ C and 60∘ C, providing the temperature-dependent quartz surface relaxivity and effective clay parameters. Given the generality of the method, it can easily be adapted to transverse relaxation experiments, or dynamic conditions where e.g., a change in wettability is monitored by intrinsic NMR parameters.
Water-Gas Imbibition Relative Permeability: Literature Review, Direct versus Indirect Methods and Experimental Recommendations
Authors: Pairoys Fabrice , Caubit Cyril
Published: January 2023

When an active aquifer encroaches into a gas bearing reservoir or when an oil rim sweeps gas during late depletion of the gas cap, gas displacement by liquid is important for estimating the gas recovery. In the water displacing gas condition, the viscosity ratio is extremely favorable, resulting in a sharp waterfront in the reservoir matrix: it results that changing the relative permeability Kr shape has negligible effect, while endpoints water relative permeability Krw Max and residual gas saturation Sgr are much more important to understand gas flow performance for estimation of gas recovery with active aquifer or productivity decline after water breakthrough. Three main methods are used to determine water/gas relative permeability curves: imbibition unsteady-state, imbibition steady-state or indirect approaches such as co-current spontaneous imbibition if transient data are available. One of the other popular indirect methods is called Brooks-Corey approach: by measuring the drainage Pc curve using centrifuge or porous plate methods, it is possible to calculate a pore size distribution index c. This coefficient is used in a Brooks-Corey model to determine the drainage Kr curve. It is also required to measure and determine the relationship between the residual gas saturation Sgr and the initial gas saturation Sgi relationship. Finally, it is accepted that there is no hysteresis on the water relative permeability Krw curve, as water is always the wetting phase in the gas/water couple. As non-wetting phase, gas exhibits strong hysteresis between drainage and imbibition curves: it is therefore necessary to apply a correction on the drainage Krg curve to build the imbibition one using correcting models. The aim of this paper is to compare gas/water relative permeability of clastic rocks using direct waterflooding information and indirect approach using Brooks-Corey model. It is shown that using the indirect approach leads to results like those experimentally obtained. Also, additional numerical simulations are proposed to discuss the relevance of measuring the entire water-gas imbibition relative permeability curve using the steady-state approach.
Modification of the SDR equation for permeability prediction
Authors: Weller Andreas , Zhang Zeyu
Published: January 2023

We evaluate the potential of permeability prediction of the original and modified versions of the Schlumberger-Doll Research (SDR) equation that is applied to data of nuclear magnetic resonance (NMR) relaxometry. Different definitions of characteristic relaxation time are considered. In a further modification, pore radius replaces the characteristic relaxation time in the original SDR equation. Only a good estimate of the surface relaxivity enables a reliable transformation from the relaxation time distribution (RTD) into the pore radius distribution (PRD). A recently published approach considers the specific surface area per unit pore volume (Spor) and the weighted harmonic mean (T2hm) of the RTD for the determination of an individual value of surface relaxivity for each sample. The evaluation is performed for three sample sets originating from different sandstone formations. The good predictive quality of the original SDR equation is confirmed. However, the prefactors have to be adjusted by calibrating with core data. We demonstrate that the use of average pore radii instead of average relaxation times enables a better permeability prediction. The weighted harmonic mean of the PRD, which proves to be a reliable proxy for the effective hydraulic radius, provides a high quality permeability prediction.
Towards Multiscale Digital Rocks: Application of a Sub-Resolution Production Model to a multiscale Sandstone
Authors: Salazar-Tio Rafael , Fager Andrew , Sun Guangyuan , Crouse Bernd , Xu Rui , Wendt Brett , Lewis Adam
Published: January 2023

Many digital rock methodologies use a direct simulation approach, where only resolved pores are accounted for. This approach limits the types of rocks that can be analyzed, excluding some types of carbonates, unconventionals, and complex sandstones from the digital rock analysis. This is due to the challenge for single scale imaging to capture the full range of relevant pore sizes present in multiscale rocks. In this paper, a physical model is presented, within the context of an established direct simulation approach, to predict the production of hydrocarbons including the contribution of sub-resolution pores. The direct simulation component of the model employs a multiphase lattice Boltzmann method to simulate multiphase fluid flow displacement in resolved pores. In the production model, the amount of hydrocarbons present in the sub-resolution pores is identified and a physical description of the production behavior is provided. This allows a relative permeability curve to be predicted for rocks where mobile hydrocarbons are present in pores smaller than the image resolution. This simplified model for the oil movement in the unresolved pore space is based on a physical interpretation of different regions marked by simulation resolution limits in a USBM wettability test curve. The proposed methodology is applied to high-resolution microCT images of a sandstone that contains pores at multiple scales, some resolved and some not resolved. To allow for benchmarking, experimental routine and special core analysis data was also obtained. Good agreement to experimental results is observed, specifically in absolute and relative permeability. The presented multiscale model has the potential to extend the classes of reservoir rocks eligible for digital rock analysis and paves the way for further advancements in the modelling of multiscale rocks, particularly unconventionals and carbonates.
Schmerzassessment bei Menschen mit Demenz
Authors: Mazurek Christian
Published: January 2023

Der Umgang mit Demenz und Schmerz stellt für viele Pflegende eine Herausforderung dar. Besonders im Langzeitpflegebereich ist die Pflege der Betroffenen belastend und komplex. Hilfreich für alle Beteiligten ist es, wenn Schmerzassessment, aktivierende Pflege und personenorientierte Haltung zusammenwirken.
Akademische Karriere in der Medizin: eine geschlechterbezogene
Analyse zu beruflichen Zielen
Authors: Sorg Heiko , Hauser Jörg , Bagheri Mahsa , Ehlers Jan Peter , Leifeld Irini Helena , Fuchs Paul Christian , Tilkorn Daniel Johannes , Sorg Christian Günter Georg
Published: January 2023

Ziel der Studie Für die Ärztinnen und Ärzte des
klinisch-akademischen Mittelbaus spielen Arbeitsbedingungen sowie die
Einstellung zu Beruf und Karriere eine entscheidende Rolle. Seit Jahren ist in
der Medizin ein ansteigender Frauenanteil zu verzeichnen. Trotz dieser Zunahme
zeigt sich gerade in der akademischen Medizin immer noch eine signifikante
Geschlechtsinkongruenz. Ziel dieser Arbeit ist es ein aktuelles Meinungsbild von
Ärztinnen und Ärzten zu geschlechtsbezogenen Aspekten
für die Karriere zu analysieren.

Methodik Mittels einer Online-Befragung wurde der medizinische Mittelbau
aus universitären und peripheren Krankenhäusern zu
berufsbiographischen sowie karriererelevanten Themen befragt und
anschließend geschlechtsbezogen analysiert.

Ergebnisse Ärztinnen streben im Vergleich zu ihren
männlichen Kollegen niedrigere berufliche Karriereziele an und verfolgen
hierbei überwiegend die Qualifikation bis zur Oberärztin.
Ärzte hingegen haben zum höheren Anteil leitende Positionen zum
Ziel. Frauen planen Familie und Kindererziehung früher in ihre Karrieren
ein. Männer haben im gleichen Zeitabschnitt eher die berufliche Karriere
im Blick. Obwohl nur knapp 47% der Befragten eine akademische Karriere
als erstrebenswert erachten, schätzen 65% den Erwerb eines
akademischen Titels weiter hoch ein. Bei der Auswertung einer gleichberechtigten
Behandlung durch Vorgesetzte fühlen sich Ärztinnen im Vergleich
zu Ärzten in ihrer beruflichen Karriere eher benachteiligt. So bewerten
Ärzte den Umgang ihrer jeweiligen Vorgesetzten als geprägt von
der Qualität der Arbeit (44% für beide vorgesetzten
Geschlechter) bzw. abhängig von der Sympathie (weibliche Vorgesetzte
30%; männlicher Vorgesetzter 24%). Ärztinnen
sehen jedoch in 37% bei männlichen Vorgesetzten eine Bevorzugung
männlicher Kollegen.

Schlussfolgerung Trotz eines seit Jahrzehnten deutlich
größeren Frauenanteils in der Medizin besteht auch aktuell
weiter eine Geschlechtsinkongruenz zugunsten von Männern in
Leitungspositionen. Die beruflichen, wie privaten Ziele von Frauen und
Männern unterschieden sich je nach Altersdekade deutlich. Die
akademische Karriere per se verliert zunehmend an Bedeutung, wobei der Erwerb
akademischer Titel weiterhin erstrebenswert zu sein scheint. Zur Verbesserung
der Zukunftsfähigkeit der akademischen Medizin sind daher erhebliche
strukturelle Veränderungen erforderlich, die projektfähige
Karrierepfade (z. B. Tenure Track, Assistenzprofessur, Young Medical
Professionals-Modell) für den akademischen Mittelbau
ermöglichen.
Correlation between Forearm Bone Mineral Density Measured by Dual Energy X-ray Absorptiometry and Hounsfield Units Value Measured by CT in Lumbar Spine
Authors: Chen Qian , Wei Peng , Pu Hong Yu , Huang Kun
Published: January 2023

Background Our aim was to determine if the dual-energy X-ray absorptiometry (DXA)-measured forearm bone mineral density (BMD) correlates with the Hounsfield unit (HU) values obtained from computed tomography (CT).

Methods A retrospective analysis of 164 patients with degenerative diseases of the lumbar spine was performed. DXA was used to measure the BMD and T-scores of each patient’s forearm. Lumbar CT was used to measure the CT HU values in three axial images of the L1–L4 vertebral bodies, and the average was calculated. According to the preoperative DXA T-score, they were divided into a normal group, an osteopenia group, and an osteoporosis group. Pearson’s correlation coefficient was used to analyze the correlations of CT HU values in L1–L4 with BMD and T-scores in the corresponding vertebral body. The receiver operating characteristic curve (ROC) was used to determine the CT HU thresholds between osteoporosis and non-osteoporosis groups.

Results Forearm BMD was moderately correlated with L1–L4 CT HU values (0.4 < R2 < 0.6), and the correlation coefficients (R2) were 0.552, 0.578, 0.582, and 0.577, respectively (all p < 0.001). Forearm T-scores were moderately correlated with L1–L4 CT HU values (0.4 < R2 < 0.6), and the correlation coefficients (R2) were 0.595, 0.609, 0.605, and 0.605, respectively (all p < 0.001). The thresholds of L1–L4 between the osteoporosis group (t ≤ -2.5) and the non-osteoporosis group (t > −2.5) were 110.0 HU (sensitivity 74% and specificity 76%), 112.5 HU (sensitivity 67% and 83% specificity), 92.4 HU (81% sensitivity and 70% specificity), and 98.7 HU (74% sensitivity and 78% specificity), respectively.

Conclusions Based on the moderate positive correlation between forearm DXA-measured BMD and HU values, forearm DXA provides a theoretical basis for evaluating lumbar vertebral bone mass. Preoperative forearm DXA may be useful in the formulation of surgical plans and the prevention of postoperative complications in patients with lumbar degenerative diseases.
Occupational radiation dose from gastrointestinal endoscopy procedures with special emphasis on eye lens doses in endoscopic retrograde cholangiopancreatography
Authors: Kaasalainen Touko , Pekkarinen Antti , Kylänpää Leena , Rainio Mia , Tenca Andrea , Jokelainen Kalle , Barner-Rasmussen Nina , Puustinen Lauri , Udd Marianne , Lindström Outi
Published: January 2023

Background and study aims Endoscopic retrograde cholangiopancreatography (ERCP) procedures may result in remarkable radiation doses to patients and staff. The aim of this prospective study was to determine occupational exposures in gastrointestinal endoscopy procedures, with a special emphasis on eye lens dose in ERCP.

Methods Altogether 604 fluoroscopy-guided procedures, of which 560 were ERCPs belonging to four American Society for Gastrointestinal Endoscopy procedural complexity levels, were performed using two fluoroscopy systems. Personal deep-dose equivalent Hp(10), shallow-dose equivalent Hp(0.07), and eye lens dose equivalent Hp(3) of eight interventionists and Hp(3) for two nurse dosimeters were measured. Thereafter, conversion coefficients from kerma-area product (KAP) for Hp(10), Hp(0.07), and Hp(3) were determined and dose equivalents per procedure to an operator and assisting staff were estimated. Further, mean conversion factors from Hp(10) and Hp(0.07) to Hp(3) were calculated.

Results The median KAP in ERCP was 1.0 Gy·cm2, with mobile c-arm yielding higher doses than a floor-mounted device (P < 0.001). The median Hp(3) per ERCP was estimated to be 0.6 µSv (max. 12.5 µSv) and 0.4 µSv (max. 12.2 µSv) for operators and assisting staff, respectively. The median Hp(10) and Hp(0.07) per procedure ranged from 0.6 to 1.8 µSv. ERCP procedural complexity level (P ≤ 0.002) and interventionist (P < 0.001) affected dose equivalents.

Conclusions Occupational dose limits are unlikely to be exceeded in gastrointestinal endoscopy practice when following radiation-hygienic working methods and focusing on dose optimization. The eye lens dose equivalent Hp(3) may be estimated with sufficient agreement from the Hp(10) and Hp(0.07).
Intravenous paracetamol for persistent pain after endoscopic mucosal resection discriminates patients at risk of adverse events and those who can be safely discharged
Authors: Desomer Lobke , Tate David J. , Pillay Leshni , Awadie Halim , Sidhu Mayenaaz , Ahlenstiel Golo , Bourke Michael J.
Published: January 2023

Introduction The frequency and severity of abdominal pain after endoscopic mucosal resection (EMR) of colonic laterally spreading lesions (LSLs) of ≥ 20 mm is unknown, as are the risk factors to predict its occurrence. We aimed to prospectively characterize pain after colonic EMR , determine the rapidity and frequency of its resolution after analgesia, and estimate the frequency of needing further intervention.

Methods Procedural and lesion data on consecutive patients with LSLs who underwent EMR at a single tertiary referral center were prospectively collected. If pain after colonic EMR, graded using a visual analogue scale (VAS), lasted > 5 minutes, 1 g of paracetamol was administered. Pain lasting > 30 minutes lead to clinical review and upgrade to opiate analgesics. Investigations and interventions for pain were recorded.

Results 67/336 patients (19.9 %, 95 %CI 16.0 %–24.5 %) experienced pain after colonic EMR (median VAS 5, interquartile range 3–7). Multivariable predictors of pain were: lesion size ≥ 40 mm, odds ratio [OR] 2.15 (95 %CI 1.22–3.80); female sex, OR 1.99 (95 %CI 1.14–3.48); and intraprocedural bleeding requiring endoscopic control, OR 1.77 (95 %CI 0.99–3.16). Of 67 patients with pain, 51 (76.1 %, 95 %CI 64.7 %–84.7 %) had resolution of their “mild pain” after paracetamol and were discharged without sequelae. The remaining 16 (23.9 %) required opiate analgesia (fentanyl), after which 11/16 patients (68.8 %; “moderate pain”) could be discharged. The 5/67 patients (7.5 %) with “severe pain” had no resolution despite fentanyl; all settled during hospital admission (median duration 2 days), intravenous analgesia, and antibiotics.

Conclusion Pain after colonic EMR occurs in approximately 20 % of patients and resolves rapidly and completely in the majority with administration of intravenous paracetamol. Pain despite opiates heralds a more serious scenario and further investigation should be considered.
Derivatization of Dihydropyrrolidone-Thiadiazole Heterocyclic Compounds and an Evaluation of their Antibacterial and Anti-Biofilm Activities
Authors: Xuecheng Chen , Yanpeng Xiong , Zhijian Yu , Shiqing Han , Yue Luo , Yalan Peng , Zhong Chen
Published: January 2023

Dihydropyrrolidone-thiadiazole inhibitors targeting YycG histidine kinase have been designed, synthesized and evaluated for their antibacterial, bactericidal, anti-biofilm, cytotoxic and hemolytic activities, and for their ability to promote autophosphorylation. 4-(Benzofuran-2-carbonyl)-1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(2-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one exhibits the best bacteriostatic activity against Gram-positive bacteria such as S. epidermidis SE1457, MSSA SA113, and E. faecalis FB1 (MIC = 3.13–25 μM). Its antibacterial activity against methicillin-sensitive Staphylococcus aureus (MSSA) SA113 is comparable to that of linezolid. Most of the products exhibit good inhibitory effects against the biofilms of the tested strains. Among the products, three show strong inhibitory effects on the biofilm formation of S. epidermidis SE1457, MSSA SA113, and E. faecalis FB1, and their inhibition rates reach more than 90% at 6.25 μM. Cytotoxicity and hemolytic activity tests suggest that all the synthesized compounds have little effect on the growth of mammalian cells (Vero cells) and exhibit no hemolytic activity toward healthy human red blood cells.
Investigating Relations between the NICU Speech Environment and Weight Gain in Infants Born Very Preterm
Authors: Kumar Komal , Marchman Virginia A. , Morales Maya C. , Scala Melissa , Travis Katherine E.
Published: January 2023

Objective Children born preterm, especially those born very preterm (<32 weeks of gestational age [GA]) are at risk for poor growth and adverse neurodevelopmental outcomes. Adverse growth and neurodevelopmental outcomes in preterm children have been attributed, in part, to the aversive sounds and relative speech paucity of the neonatal intensive care unit (NICU). Experimental studies that directly expose preterm infants to speech sounds in the NICU find significant improvements in health factors relevant to neurodevelopment. Few studies have examined whether natural variations in the speech environment of the NICU are related to short-term health outcomes in preterm infants. Such data are important for optimizing the sound environment of the NICU. Our objective was to examine relations between the NICU speech environment and the rate of weight gain during hospitalization.

Study Design Participants were infants born very preterm (n = 20). The speech environment of each infant was assessed at 32 to 36 weeks of postmenstrual age using an automatic speech-counting device. Average rates of weight gain (g/kg/d) were ascertained over the same period. Calories were derived from charted intake (kcals/kg/d). Linear regressions examined caloric intake and speech counts as predictors of infant weight gain.

Results Infant weight gain was significantly predicted by caloric intake and speech exposure, each uniquely accounting for approximately 27% variance (total R
2 = 60.2%; p < 0.001). Speech counts were uncorrelated with rates of family visitation, time in incubator, or health acuity.

Conclusion While future research should establish causality and direction of effects, enhancing speech exposure in the NICU may be beneficial for physical growth. NICU care plans should consider opportunities to increase speech exposure.

Key Points
Executive Function Assessment in 2-Year-Olds Born Preterm
Authors: Van den Brande Astrid , Bollen Bieke , Boets Bart , Naulaers Gunnar , Ortibus Els
Published: January 2023

Objective Our objective was to investigate the executive function and its relationship with gestational age, sex, maternal education, and neurodevelopmental outcome at 2 years corrected age in children born preterm.

Method Executive function was assessed by means of the Multisearch Multilocation Task (MSML), Reversed Categorization Task (RevCat), and Snack Delay Task (SDT). Infant and maternal characteristics were gathered from the child's record. The developmental outcome was measured by the Bayley Scales and a multidisciplinary risk evaluation for autism.

Results The executive function battery was completed by 97 children. The majority were able to successfully complete the MSML and SDT but failed RevCat. The lower the gestational age and the maternal education, the lower the executive function scores. Better cognition and motor function, as well as low autism risk, were associated with better executive function scores. Executive function was not related to sex.

Interpretation This cohort study provides evidence that it is feasible to assess executive function in 2-year-olds born preterm. Executive function is related to gestational age and maternal education and is positively correlated with behavioral outcome. Therefore, executive functions can be a valuable target for early intervention, resulting in improvements in neurodevelopmental outcomes in children born preterm.
Caudal Block versus Wound Infiltration for Inguinal Procedures in Young Children: A Randomized Clinical Study
Authors: Zundel Sabine , Conz Franziska , Fuchs Jörg , Blumenstock Gunnar , Guerrero-Rodrigues Aida , Grasshoff Christian , Schlisio Barbara
Published: January 2023

Introduction Inguinal procedures in children are frequent and typically performed in an outpatient setting. We aimed to analyze whether there is a difference in postoperative pain scores and setup time (start of anesthesia management to incision time) when comparing caudal block (CB) with local wound infiltration.

Materials and Methods We enrolled pediatric outpatients scheduled for inguinal procedures. Patients were randomized to receive either preincision CBs or end-of-procedure local wound infiltration. Postoperative pain scores until 24 hours postoperatively and setup time were analyzed.

Results Fifty-two patients were included in the study. Thirty patients received a CB, and 22 patients received local infiltration (LI). There was no significant difference in postoperative pain scores. Setup time was significantly higher in the CB group: median 22.5 minutes IQR (16–46 minutes) compared with 17 minutes in the LI group IQR (10–35 minutes), p-value of 0.0026.

Conclusion Both CB and LI result in good postoperative pain control after inguinal procedures in pediatric outpatients. Since LI is less time consuming and has lower risks for complications, we recommend this technique for inguinal procedures in pediatric outpatients. Our findings will need to be confirmed in larger cohorts, but we believe the evidence generated with this study has the potential to positively influence patient care, operating room efficiency, and costs.
Classification of Adverse Events in Adult Surgery
Authors: Kalt Fabian , Mayr Hemma , Gero Daniel
Published: January 2023

Successful surgery combines quality (achievement of a positive outcome) with safety (avoidance of a negative outcome). Outcome assessment serves the purpose of quality improvement in health care by establishing performance indicators and allowing the identification of performance gaps. Novel surgical quality metric tools (benchmark cutoffs and textbook outcomes) provide procedure-specific ideal surgical outcomes in a subgroup of well-defined low-risk patients, with the aim of setting realistic and best achievable goals for surgeons and centers, as well as supporting unbiased comparison of surgical quality between centers and periods of time. Validated classification systems have been deployed to grade adverse events during the surgical journey: (1) the ClassIntra classification for the intraoperative period; (2) the Clavien–Dindo classification for the gravity of single adverse events; and the (3) Comprehensive Complication Index (CCI) for the sum of adverse events over a defined postoperative period. The failure to rescue rate refers to the death of a patient following one or more potentially treatable postoperative adverse event(s) and is a reliable proxy of the institutional safety culture and infrastructure. Complication assessment is undergoing digital transformation to decrease resource-intensity and provide surgeons with real-time pre- or intraoperative decision support. Standardized reporting of complications informs patients on their chances to realize favorable postoperative outcomes and assists surgical centers in the prioritization of quality improvement initiatives, multidisciplinary teamwork, surgical education, and ultimately, in the enhancement of clinical standards.