bluuebunny/crossref_metadata_2025_split huggingface dataset:
CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling
Authors: Deng Bowen , Zhong Peichen , Jun KyuJung , Riebesell Janosh , Han Kevin , Bartel Christopher J. , Ceder Gerbrand 
Published: September 2023

AbstractLarge-scale simulations with complex electron interactions remain one of the greatest challenges for atomistic modelling. Although classical force fields often fail to describe the coupling between electronic states and ionic rearrangements, the more accurate ab initio molecular dynamics suffers from computational complexity that prevents long-time and large-scale simulations, which are essential to study technologically relevant phenomena. Here we present the Crystal Hamiltonian Graph Neural Network (CHGNet), a graph neural network-based machine-learning interatomic potential (MLIP) that models the universal potential energy surface. CHGNet is pretrained on the energies, forces, stresses and magnetic moments from the Materials Project Trajectory Dataset, which consists of over 10 years of density functional theory calculations of more than 1.5 million inorganic structures. The explicit inclusion of magnetic moments enables CHGNet to learn and accurately represent the orbital occupancy of electrons, enhancing its capability to describe both atomic and electronic degrees of freedom. We demonstrate several applications of CHGNet in solid-state materials, including charge-informed molecular dynamics in LixMnO2, the finite temperature phase diagram for LixFePO4 and Li diffusion in garnet conductors. We highlight the significance of charge information for capturing appropriate chemistry and provide insights into ionic systems with additional electronic degrees of freedom that cannot be observed by previous MLIPs.
EU-27 ecological footprint was primarily driven by food consumption and exceeded regional biocapacity from 2004 to 2014
Authors: Galli Alessandro , Antonelli Marta , Wambersie Leopold , Bach-Faig Anna , Bartolini Fabio , Caro Dario , Iha Katsunori , Lin David , Mancini Maria Serena , Sonnino Roberta , Vanham Davy , Wackernagel Mathis 
Published: September 2023

AbstractThe European Union (EU) plans to decarbonize the region by 2050. As highlighted by the Green Deal and Farm to Fork Strategy, food systems are essential for this transition. Here we investigate the resource dependence and carbon emissions of the EU-27’s food systems from 2004 to 2014 via an ecological footprint (EF)-extended multi-regional input–output approach, accounting for demand and supply (including trade), and considering multiple externalities. Food contributes towards almost a third of the region’s EF, and appropriates over half of its biocapacity. Average reliance on biocapacity within national borders decreased, while reliance on intra-EU biocapacity increased; yet a quarter of the biocapacity for food consumption originates from non-EU countries. Despite a reduction in both total EF and food EF over the study period, EU-27 residents demand more from nature than the region’s ecosystems can regenerate—highlighting the need for new or strengthened food and trade policies to enable a transformation to sustainable EU food systems.
Developing a gradient titanium dioxide/amorphous tantalum nitride electron transporting layer for efficient and stable perovskite solar cells
Authors: Gou Yue , Wang Haoyan , Li Yutao , Zhao Chenyu , Fan Lin , Wei Maobin , Liu Huilian , Yang Jinghai , Wang Fengyou , Yang Lili 
Published: September 2023

A gradient TiO2/a-TaNx electron transport layer was developed for perovskite solar cells. Insights into the relation between the surface elements, charge transfer dynamics, and crystallization of the perovskite have been elucidated in detail.
High maternal adiposity during pregnancy programs an imbalance in the lipidome and predisposes to diet-induced hepatosteatosis in the offspring
Authors: Scheidl Taylor B. , Wager Jessica L. , Baker Larissa G. , Brightwell Amy L. , Melan Katrina M. , Larion Sebastian , Sarr Ousseynou , Regnault Timothy RH. , Urbanski Stefan J. , Thompson Jennifer A. 
Published: September 2023

Abstract
Background: Exposure to high maternal adiposity in utero is a significant risk factor for the later-life development of metabolic syndrome (MetS), including non-alcoholic fatty liver disease (NAFLD). We have previously shown that high pre-pregnancy adiposity programs adipose tissue dysfunction in the offspring, leading to spillover of fatty acids into the circulation, a key pathogenic event in obesity-associated MetS. Herein, we hypothesized that programming of adipose tissue dysfunction in offspring born to overweight dams increases the risk for developing NAFLD. Results: Females heterozygous for leptin receptor deficiency (Hetdb) were used as a model of high pre-pregnancy adiposity. Female wild-type (Wt) offspring born to Hetdb pregnancies gained significantly more body fat following high-fat/fructose diet (HFFD) compared with Wt offspring born to Wt dams. HFFD increased circulating free fatty acids (FFA) in male offspring of control dams, while FFA levels were similar in HFFD-fed offspring from Wt dams and CD or HFFD-fed Wt offspring from Hetdb dams. Despite female-specific protection from diet-induced FFA spillover, both male and female offspring from Hetdb dams were more susceptible to diet-induced hepatosteatosis. Lipidomic analysis revealed that CD-offspring of overweight dams had decreased hepatic polyunsaturated FA (PUFA) levels compared with control offspring. Changes to saturated FA (SFA) and the de novo lipogenic (DNL) index were diet driven; however, there was a significant effect of the intrauterine environment on FA elongation and Δ9 desaturase activity. Conclusion: High maternal adiposity during pregnancy programs a susceptibility to diet-induced hepatosteatosis.
Children With Developmental Language Disorder Have Lower Quality of Life Than Children With Typical Development and Children With Cochlear Implants
Authors: Haukedal Christiane Lingås , Wie Ona Bø , Schauber Stefan K. , von Koss Torkildsen Janne 
Published: September 2023

Purpose:
The purpose of this study was to examine quality of life (QOL) and its relation to language skills in children with developmental language disorder (DLD). This was examined by comparing QOL to a control group of children with typical development (TD), as well as children with cochlear implants (CIs), who potentially struggle with language for language, although for a different reason than children with DLD.

Method:

Two groups of children, a group with TD (
n
= 29) and a group of children with CIs (
n
= 29), were matched to the DLD group (
n
= 29) on chronological age, gender, nonverbal IQ, and parental educational level through a propensity matching procedure. A third group consisting of children with CIs was also matched to the DLD group but additionally matched on language abilities. QOL scores were compared across groups, and the association between language skills and QOL was examined in the DLD group.

Result:
The DLD group was reported by parents to have statistically significantly poorer QOL scores than peers with TD or CIs. When controlling for language skills, either statistically or through an additional CI group matched on language abilities, there were no statistically significant differences in QOL scores across groups. In the DLD group, language skills explained 16% of the variation in QOL.

Conclusion:
DLD is associated with the children's overall QOL, and the degree of reduced QOL relates to the severity of the language impairment.
Key point detection method for fish size measurement based on deep learning
Authors: Yu Yaozhen , Zhang Hao , Yuan Fei 
Published: September 2023

AbstractAccurate fish size measurement in breeding areas is crucial for the fishing industry. Unlike acoustic methods with high equipment cost and low measurement accuracy, current image‐based methods offer a promising alternative. However, these image‐based methods still face challenges in selecting measurement points. To address this issue and achieve precise measurements of individual fish, this paper introduces an automatic fish size measurement method based on key point detection. We established a Fish‐Keypoints dataset and utilized deep learning techniques for the detection of fish and their key points. Using a binocular camera system, we reconstruct a three‐dimensional coordinate system to measure key points at the fish's head and tail, facilitating fish length calculation. The detection model achieves an accuracy of 85.1% in key point detection. The proposed method is tested in both land and underwater environments, demonstrating a relative measurement error of approximately 7% for fish in pools. This confirms the proposed method's ability to accurately detect measurement points, offering superior accuracy compared to other methods.
The very compact dust disk in the Red Rectangle
Authors: Bujarrabal V. , Alcolea J. , Castro-Carrizo A. , Kluska J. , Sánchez Contreras C. , Van Winckel H. 
Published: September 2023

Aims. We aim to study the dust distribution in the central regions of the Keplerian disk of the Red Rectangle, the prototype of binary post-AGB stars with rotating circumbinary disks, and to compare it with the distribution of relevant molecular gas tracers.
Methods. We present new high-resolution (20 milliarcseconds, mas) ALMA observations of continuum and line emissions at 0.9 mm. The maps have been analyzed by means of a simple model of dust and free–free emission that is able to reproduce the continuum data.
Results. (i) We find that most of the dust emission in the Red Rectangle is concentrated in the inner disk regions, with a typical size of 250 AU in diameter and 50 AU in width. (ii) The settlement of dust grains onto inner equatorial regions is remarkable when compared with the relatively widespread gas distribution. (iii) This region is basically coincident with the warm PDR (photo-dominated region) where CI, CII, and certain molecules such as HCN are presumably formed, as well as probably PAHs (polycyclic aromatic hydrocarbons, whose emission is very strong in this source). (iv) We confirm the large size of the grains, with a typical radius ∼150 μm. The opacity of dust at 0.9 mm is deduced to be relatively large, ∼0.5. (v) We also confirm the existence of a very compact HII region in the center, for which we measure an extent of 10–15 mas (∼10 AU) and a total flux of 7–8 mJy at 0.9 mm.
Clinical Evaluation of a Microporous Hollow-fiber Membrane Oxygenator with Large Gas Transfer Capability
Authors: Massimino Ronald J. , Stearns Gary T. , Gough Jeffrey D. , Martin John , Karlson Karl E. 
Published: September 2023

A capillary tube membrane oxygenator composed of microporous hollow fibers has been evaluated in 400 cases of cardiac surgery. The available membrane area in this device is 5.4 M2. The priming volume of the oxygenator and an integral heat exchanger is 700 ml. The perfusions were conducted with moderate hypothermia and hemodilution. Arterial pO2 was controlled by appropriate adjustment of the FiO2. The pCO2 was controlled by changing the gas flow. The duration of perfusion was up to 476 minutes at blood flow rates of 2.0 to 6.7 L/min. Oxygen transfer was as high as 352 ml/min. The mean arterial pO2 was 281 mm Hg and the pCO2 38 mm Hg. Platelet count did not change significantly during perfusion.
This device has proven to provide good gas exchange for nearly eight hours in this series. Two units developed small leaks of blood into the gas phase of the device. These leaks did not affect gas exchange. This oxygenator-heat exchanger unit has proven to be simple to prime, easy to operate, provide adequate gas exchange for all adults and safe for cardiac surgery.
Prevention of Platelet Adhesion to Extracorporeal Surfaces
Authors: Gurjar Yogesh , Bowman James M. 
Published: September 2023

Both exsanguination and thrombogenic complications pose threats to the life processes of post-operative patients who have undergone cardiopulmonary bypass. Platelet extraction by extracorporeal tubing contributes significantly to these risks.
This study demonstrates platelet adhesion to polyvinyl chloride and silicone rubber. Experiments were carried out by preparing extracorporeal circuits for three dogs. Polyvinyl chloride and silicone rubber were chosen because of their widespread use in open heart surgery. Subsequent spectrophotometric analysis revealed protein adsorption in albuminized and nonalbuminized circuits. Pre-bypass recirculation of an albuminized prime for at least thirty minutes effectively reduces platelet adhesion to tubing surfaces during bypass.
A Computer Simulation of Cardiopulmonary Bypass: Version Two
Authors: Riley Jeffrey B. , Winn Brad A. , Hurdle Michael B. 
Published: September 2023

The second and more complete version of a computer simulation of CPB is presented. Version Two simulates oxygen transfer, carbon dioxide transfer, and heat transfer.
BASIC computer statements were created to mimic the clinical function of the hollow fiber membrane oxygenator. The oxygenator function curves were created from over 400 clinical oxygenation and carbon dioxide measurements from four institutions. Heat transfer and normal physiological relationships were simultated in computer statements written from well-documented sources. The educational computer program reproduces each step of the heat, oxygen, and carbon dioxide transfer, as well as acid/base and vasomotor status change. The input parameters for the simulation are blood flow, Fi02, FiC02, gas sweep rate, mean arterial pressure, hematocrit, and water temperature and are introduced into the computer with control rheostats.
Version Two simulates pathophysiologic events and the effect of an individual control parameter. The simulation provides a cost effective means of providing vital information for medical, allied health, and industrial training and product design.
ECC Sources of Gaseous Microemboli
Authors: Demierre D. , Maass D. , Garcia E. , Turina M. 
Published: September 2023

We have tried to locate sources of gaseous microemboli during the ECC using a newly developed ultrasonic detector. The detector was calibrated with filters of known pore size and the recorder setting was kept constant at all times. We studied, at the oxygenator, the effect of low and high fill volume, refilling with or without air into the cardiotomy line, mechanical disturbance, rewarming and high p02. Arterial line filters were examined for their capacity to retain microemboli.
All bubble oxygenators tested released microemboli, especially at low fill volume when operated at high blood flows. Any mechanical interference (shock) either to the oxygenator or the filter will cause massive release of microemboli. This was also seen during fast rewarming of the blood, fast refilling of the oxygenator and high p02. Slow rewarming of the blood as well as slow refilling of the oxygenator, even with air in the cardiotomy line, did not cause any excessive microemboli. All filters tested retained microemboli to a great extent. Membrane oxygenators demonstrated no measurable microbubble formation at normal flows or with mechanical interference (shock) to the unit.
Microemboli detection during ECC has helped to trace various sources of gaseous microemboli which could be avoided using better perfusion techniques. Arterial line filters do reduce the amount and the size of gaseous microemboli during ECC.
Isolated Total Lung Perfusion Technique for Chemotherapy
Authors: Schavey Kim M. , Johnston Michael R. , Stanbrook Hilary S. 
Published: September 2023

A perfusion technique was developed in the laboratory to isolate the pulmonary vasculature from the systemic circulation to administer chemotherapy selectively to the lungs.
Dogs weighing between 20 to 30 kilograms were placed on total cardiopulmonary bypass via cannulation of the femoral artery and inferior and superior vena cava. The aorta was cross clamped and the heart arrested with crystalloid cardioplegia to minimize collateral blood flow into the pulmonary circuit. The pulmonary artery and the left atrium were then cannulated for isolated pulmonary perfusion. Cisplatin was added to the pulmonary circuit and the lungs perfused for fifty minutes at normothermia. Following termination of pulmonary perfusion, the pulmonary vasculature was flushed with Dextran, the cross clamp removed and the lungs returned to systemic circulation. Cardiopulmonary bypass was terminated and the dogs recovered.
Random biopsies demonstrated uniform drug uptake throughout the lung tissue. Simultaneous sampling of systemic drug levels showed no crossover from the pulmonic to the systemic circuit thus indicating a truly isolated perfusion technique. Systemic crossover to the pulmonary circuit from the noncoronary collateral blood flow was minimized by controlling the perfusion parameters of both circuits. Hemopoietic depression from the cytotoxic drug and lung damage from the perfusion technique were both minimal.
A technique for isolated in-situ total lung perfusion for the treatment of lung cancers has been developed which allows delivery of high drug concentrations to the tumor, thus enhancing the possibility of reaching cytotoxic levels within the tumor, while avoiding systemic toxicity.
A Comparison of a Heparin Coated and a Non-Coated ECC Arterial Line Blood Filter
Authors: Justison G.A. , Lewis H.D. , Hamilton D.G. , McCloskey D.B. , Riley J.B. , Hurdle M.B. 
Published: September 2023

Two groups of five heparin coated (American Bentley AF 1040C) and non-coated (Gish Biomedical, Inc. AFS 40) ECC arterial line filters were compared In Vitro for pressure drop, debubbling time, air separating ability and clinically for blood handling ability.
After CO2 flush and following Directions for Use, the debubbling time for the AF 1040C was 178 ± 11 sec. (1 S.D.) and 183 ± 29 sec. for the AFS 40. The preparation times were not significantly different and were confirmed by doppler. The AFS 40 exhibited a resistance to blood flow approximately 68% of the AF 1040C resistance. In the 11-40 micron range, the AFS 40 performed as a significantly better bubble trap during crystalloid recirculation after debubbling. With blood prime, the AFS 40 appeared to be a better bubble trap. However, both filters pass equal numbers of 80 micron bubbles when challenged with a 200 ml·min−1 stream of air at 5·L·min−1 blood flow. Platelet loss, hemolysis index, and white cell counts showed no significant difference in the clinical comparison.
Other studies have suggested that heparin coating facilitates filter preparation and have demonstrated clinical equivalency with non-coated filters. The AFS 40 and the AF 1040C appear to be clinically equivalent. The AFS 40 is a better bubble trap under normal ECC blood flow conditions.
A Double-Lumen Cannula for Cardioplegia Delivery and/or Air Aspiration from the Aorta during Cardiopulmonary Bypass
Authors: Berryessa Richard , Tyndal Charles M. , Tornabene Susan , Harken Alden 
Published: September 2023

This paper reports the use of a double-lumen cannula designed to deliver cardioplegic solution, decompress the left heart during ischemic arrest, and aspirate air from the aorta before cardioplegic delivery and after the aortic cross-damp is removed.
The unique feature of this cannula is its doublelumen design which allows air to be aspirated from the aorta prior to, and concurrent with, the beginning of the delivery of cardioplegic solution, to prevent the introduction of air into the coronary arteries.
We will outline the unrecognized sources of this air and why it is advantageous to evacuate it before a subsequent infusion of cardioplegia.
Refinements in Infant/Pediatric Perfusion
Authors: Berryessa Richard , Hydrick Dan , McCormick James , Tyndal Charles M. , Peterson David , Tornabene Mike , Tornabene Susan , Williams William , Pappas George , Campbell David , Clarke David R. 
Published: September 2023

Little has been written in recent years to update the pediatric perfusion literature. This paper is a review of the perfusion techniques we use with 200 children a year in Denver and we believe it is a reflection of the state-of-the-art. We will discuss equipment selection (including a method of streamlining inventory), circuit prime, anticoagulation, temperature control, blood flow, myocardial protection, blood conservation, patient safety, and cost containment.
Deep hypothermia and circulatory arrest are used with most children under 8 Kg. and acid-base status is managed to maintain respiratory alkalosis with the help of on-line monitoring. Pulsatile flow is used on all patients and hollow fiber membrane oxygenators and blood cardioplegia are used on most. The choice of oxygenator size, and subsequent priming volume, is influenced by the decrease in gas exchange efficiency (− 20%) at this altitude and must be understood in that context. All other information is appropriate at any altitude and will be helpful to a team who does few pediatric cases or is starting up a program.
A Technique for the Effective Removal of Air from a Hollow Fiber Membrane Oxygenator Circuit
Authors: Berryessa Richard , Tyndal Charles M. , Tornabene Susan 
Published: September 2023

This paper describes some of the ways unwanted air can be introduced into a cardiopulmonary bypass circuit and a technique which has been shown to significantly decrease the resultant bubble counts. In this study air was introduced into a circuit (Hct. 20%) containing a Hollow Fiber Membrane Oxygenator (HFMO). Conventional techniques of recirculation (3 L/min.) and vigorous agitation/percussion were compared to recirculation with vacuum (gas phase of HFMO) for efficiency in reducing bubble counts measured after three minutes by a microbubble counter.
Conventional methods were ineffective after three minutes while vacuum for 3 minutes significantly (p = .001) reduced bubble counts (bubbles > 100 microns).
The microporous membrane allows efficient air removal with vacuum while recirculation/percussion did little to remove air which, in a blood perfusate, was not visible to the naked eye.
The application of vacuum not only increases safety but convenience when used in the priming and de bubbling of a circuit in routine and emergency case.
Humanitarian logics in the evolution of international society
Authors: Nantermoz Olivia , Turan Aslihan 
Published: September 2023

AbstractThis paper argues that humanitarian logics have been integral to the constitution and historical evolution of international society and its primary institutions. Whilst Watson was chiefly interested in the raison de système which brought states together in the consolidation and preservation of an international society, he did not dedicate as much attention to how humanitarian concerns have historically been embedded in the structure of both statehood and international society. We introduce the concept of raison de l’humanité to capture this fundamental concern for protecting human lives, alleviating human suffering and mobilising compassion and solidarity in politics. We show how this raison de l’humanité has historically complemented and reinforced (rather than undermined) the workings of international society and its raison de système. We illustrate this argument by examining the humanitarian responsibilities historically associated with sovereignty and their contemporary expression in the responsibility to protect (R2P) doctrine. Instead of uncritically celebrating this raison de l’humanité as a universal and morally progressive force in global politics, however, this paper stresses the need to attend to the hierarchies, exclusions and sacrifices produced by appeals to humanity and humanitarian logics. Taking this raison de l’humanité seriously therefore requires tracing how throughout history, appeals to humanity have oscillated between solidarity and violence, inclusion and exclusion, equality and hierarchy. This brings us back, in turn, to Watson’s project of historical documentation of the varying workings of international society.