bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pharmacokinetic modeling of morphine and its glucuronides: Comparison of nebulization versus intravenous route in healthy volunteers
Authors: Duflot Thomas , Pereira Tony , Tavolacci Marie‐Pierre , Joannidès Robinson , Aubrun Frédéric , Lamoureux Fabien , Lvovschi Virginie Eve 
Published: November 2021

AbstractIntravenous (i.v.) morphine is a safe, robust, and recommended treatment for severe pain using the titration principle. Despite its high efficacy, it is impacted by organizational constraints related to venous access. Nebulized (NEB) morphine may represent an alternative for titration but pharmacokinetic (PK) properties of short nebulization using routine devices need evaluation. Twenty‐seven healthy volunteers were included to receive NEB or i.v. morphine administration using increasing amounts according to Dixon’s reference method. Plasma morphine, morphine‐3‐glucuronide (M3G), and morphine‐6‐glucuronide (M6G) were quantified. PK modeling and simulations were performed using Monolix. Dixon’s method exhibited a significantly higher morphine dose regimen in the NEB group versus the i.v. group (6.2 [5.3–7.1] vs. 3.0 [2.0–4.0] mg, p < 0.001). Morphine, M3G, and M6G dose‐normalized exposure were significantly lower in the NEB group versus the i.v. group: morphine (19 [13–23] vs. 1044 [702–1266] µg min/L, p < 0.001), M3G (245 [162–287] vs. 3752 [2487–5165] µg min/L, p < 0.001) and M6G (28 [21–43] vs. 466 [370–723] µg min/L, p < 0.001). The model that best fitted the data consisted in a transit compartment for morphine absorption, three compartments for morphine distribution followed by multiple transit compartments (8.2 and 57.5‐min transit time for M3G and M6G, respectively) and a first order elimination for M3G and M6G. Morphine bioavailability in the NEB group was 3.5% using the i.v. group as reference. Administration route and sex significantly influenced morphine and metabolite PKs. This work aimed to evaluate the PKs of NEB morphine compared with the i.v. route. Despite a bioavailability to improve, NEB morphine administration using a routine device is suitable to plan morphine titration.
Evidence of protective effects on aquifer recharge from polluted tropical rivers: An analysis of hyporheic meiofauna and sediments
Authors: Freitas Jonathas B. A. , Cabral Jaime J. S. P. , Paiva Anderson L. R. , Veras Tatiane B. , Barcellos Roberto L. , Santos Paulo J. P. , Gomes Júnior Edivaldo L. 
Published: November 2021

AbstractKnowledge about the hyporheic zone is important to understand the pollutant attenuation processes that occur during the aquifer recharge, whether by natural or artificial means, for example, Bank Filtration. In this paper, the structure of the hyporheic meiofauna and the influence of pollution, microphytobenthos and sedimentological parameters (grain size, organic matter and CaCO3 content) were studied at a periurban area of Beberibe River (Northeastern Brazil), the location of a riverbank filtration (RBF) pilot project. PERMANOVA analysis indicated interactions between meiofauna community and the sampling sites, rainfall seasons, and depth. The release of untreated wastewater was the most influential factor for physical and biochemical features of the hyporheic zone, since the sampling sites with higher levels of elements related to eutrophication supported the highest levels of meiofauna abundance, fine sediments, organic matter, and CaCO3 content. It was verified that organic matter from domestic wastewater in tropical streams can promote protective effects that favor the retention and biodegradation of pollutants in the hyporheic zone. The results reveal that, even in eutrophic rivers, there are factors that contribute to the processes of pollutant attenuation in tropical hyporheic environments. The results demonstrate the potential for using RBF in communities without adequate sanitation, especially in developing countries.
Bioorthogonal Disassembly of Tetrazine Bearing Supramolecular Assemblies Inside Living Cells
Authors: Song Jialei , Wu Chengling , Zhao Yan , Yang Min , Yao Qingxin , Gao Yuan 
Published: November 2021

AbstractSupramolecular assemblies are an emerging class of nanomaterials for drug delivery systems (DDS), while their unintended retention in the biological milieu remains largely unsolved. To realize the prompt clearance of supramolecular assemblies, the bioorthogonal reaction to disassemble and clear the supramolecular assemblies within living cells is investigated here. A series of tetrazine‐capped assembly precursors which can self‐assemble into nanofibers and hydrogels upon enzymatic dephosphorylation are designed. Such an enzyme‐instructed supramolecular assembly process can perform intracellularly. The time‐dependent accumulation of assemblies elicits oxidative stress and induces cellular toxicity. Tetrazine‐bearing assemblies react with trans‐cyclooctene derivatives, which lead to the disruption of π–π stacking and induce disassembly. In this way, the intracellular self‐assemblies disassemble and are deprived of potency. This bioorthogonal disassembly strategy leverages the biosafety aspect in developing nanomaterials for DDSs.
Atomically Dispersed, Low‐Coordinate Co–N Sites on Carbon Nanotubes as Inexpensive and Efficient Electrocatalysts for Hydrogen Evolution
Authors: Ding Rui , Chen Yawen , Li Xiaoke , Rui Zhiyan , Hua Kang , Wu Yongkang , Duan Xiao , Wang Xuebin , Li Jia , Liu Jianguo 
Published: November 2021

AbstractHydrogen produced using renewable electricity is considered the key to achieving a low‐carbon energy economy. However, the large‐scale application of electrochemical water splitting for hydrogen evolution currently requires expensive platinum‐based catalysts. Therefore, it is important to develop efficient and stable catalysts based on the rich reserves of transition metals as alternatives. In this study, the authors prepare a carbon‐nanotube material enriched with atomically dispersed CoN sites having uniquely low coordination numbers via the simple mixing, pyrolysis, and leaching of inexpensive precursors. These atomically dispersed low‐coordinate CoN sites provide an overpotential of only 82 mV at 10 mA cm−2 for the hydrogen evolution reaction (HER) under challenging acidic conditions and show excellent durability in accelerated stability tests. Theoretical simulations also confirm that these unique, low‐coordinate CoN2 sites have lower energy barriers in catalyzing the HER than Fe/NiN2 sites and commonly reported CoN3/N4 sites. Therefore, the method provides a new concept for the design of single‐atom catalytic sites with low coordination numbers. It also serves to reduce the cost of hydrogen production in the future owing to the high catalytic activity, low cost, and scalable production process.
Boosting Electrochemical Water Oxidation on NiFe (oxy) Hydroxides by Constructing Schottky Junction toward Water Electrolysis under Industrial Conditions
Authors: Wang Xiaomei , Zong Xu , Liu Bo , Long Guifa , Wang Aoqi , Xu Zhiqiang , Song Rui , Ma Weiguang , Wang Hong , Li Can 
Published: November 2021

AbstractThe practical deployment of promising NiFe‐based oxygen evolution reaction (OER) electrocatalysts is heavily limited due to the constrain in both stability and activity under industrial conditions. Herein, a 3D free‐standing NiFe(oxy)hydroxide‐based electrode with Schottky junction is constructed, in which NiFe(oxy)hydroxide (NiFe(OH)x) nanosheets are chemically assembled on the top of metal‐like Ni3S2 scaffold that are in situ formed on commercial Ni mesh. Such an assembly enhances the binding strength of each components, promotes the charge transfer across the interfaces, and modulates the electronic and nanostructural features of NiFe(OH)x. Consequently, the electrode delivers current densities of as high as 500 and 1000 mA cm−2 for OER at overpotentials of only 248 and 270 mV with long‐term stability in 1 m KOH. When it was paired with a NiMo hydrogen evolution cathode in a practical two‐electrode system, a current density of 1000 mA cm−2 is achieved at a low cell voltage of ≈1.61 V at 80 °C in 30% KOH without losing performance for at least 1500 h. This is the best performance reported thus far for alkaline water electrolysis under industrial conditions, demonstrating its great potential for practical applications.
Millefeuille‐Inspired Thermal Interface Materials based on Double Self‐Assembly Technique for Efficient Microelectronic Cooling and Electromagnetic Interference Shielding
Authors: Gao Yueyang , Bao Di , Zhang Minghang , Cui Yexiang , Xu Fei , Shen Xiaosong , Zhu Yanji , Wang Huaiyuan 
Published: November 2021

AbstractOwing to the increasing power density of miniaturized and high‐frequency electronic devices, flexible thermal interface materials (TIMs) with the electromagnetic interference (EMI) shielding property are in urgent demand to maintain the system performance and reliability. Recently, carbon‐based TIMs receive considerable attention due to the ultrahigh intrinsic thermal conductivity (TC). However, the large‐scale production of such TIMs is restricted by some technical difficulties, such as production‐induced defects of graphite sheets, poor microstructure architecture within the matrix, and nonnegligible interfacial thermal resistance result from the strong phono scattering. In this work, inspired by the structure and production process of millefeuille cakes, a unique double self‐assembly strategy for fabricating ultrahigh thermal conductive TIMs with superior EMI shielding performance is demonstrated. The percolating and oriented multilayered microstructure enables the TIM to exhibit an ultrahigh in‐plane TC of 233.67 W m−1K−1together with an outstanding EMI shielding effectiveness of 79.0 dB (at 12.4 GHz). In the TIM evaluation system, a nearly 45 °C decrease is obtained by this TIM when compared to the commercial material. The obtained TIM achieves the desired balance between thermal conduction and EMI shielding performance, indicating broad prospects in the fields of military applications and next‐generation thermal management systems.
Design of a Novel Fab‐Like Antibody Fragment with Enhanced Stability and Affinity for Clinical use
Authors: Wang Chunyu , Hong Jiaxu , Yang Zhenlin , Zhou Xujiao , Yang Yuhan , Kong Yu , Chen Binfan , Wu Huifang , Qian Bin‐Zhi , Dimitrov Dimiter S. , Zhou Xingtao , Wu Yanling , Ying Tianlei 
Published: November 2021

AbstractWith increasing interest in applying recombinant monoclonal antibodies (mAbs) in human medicine, engineered mAb fragments with reduced size and improved stability are in demand to overcome current limitations in clinical use. Herein, a novel Fab‐like antibody fragment generated via an in silico‐based engineering approach where the CH1 and CL domains of Fab are replaced by the IgG1 CH3 domains is described. This construct, designated as FabCH3, maintains the natural N‐terminus and C‐terminus of IgG antibody, can be expressed at a high level in bacterial cells and, importantly, exhibits much higher stability and affinity than the parental Fab when tested in a mesothelin‐specific Fab m912, as well as a vascular endothelial growth factor A (VEGFA)‐specific Fab Ranibizumab (in vivo). The high‐resolution crystal structures of m912 FabCH3 and m912 Fab are determined, and the comparative analysis reveals more rigid structures in both constant domains and complementarity‐determining regions of FabCH3, explaining its enhanced stability and affinity. Overall, the stabilized FabCH3 described in this report provides a versatile platform for engineering Fab‐like antibody fragments with higher stability and antigen‐binding affinity that can be used as a distinct class of antibody therapeutics.
A new method for obtaining a Born cross section using visible cross section data from e+e− colliders
Authors: Gribanov S. S. , Popov A. S. 
Published: November 2021

Abstract
In this paper, we propose a new method for obtaining a Born cross section using visible cross section data. It is assumed that the initial state radiation is taken into account in a visible cross section, while in a Born cross section this effect is ommited. Since the equation that connects Born and visible cross sections is an integral equation of the first kind, the problem of finding its numerical solution is ill-posed. Various regularization-based approaches are often used to solve ill-posed problems, since direct methods usually do not lead to an acceptable result. However, in this paper it is shown that a direct method can be successfully used to numerically solve the considered equation under the condition of a small beam energy spread and uncertainty. This naive method is based on finding a numerical solution to the integral equation by reducing it to a system of linear equations. The naive method works well because the kernel of the integral operator is a rapidly decreasing function of the variable x. This property of the kernel leads to the fact that the condition number of the matrix of the system of linear equations is of the order of unity, which makes it possible to neglect the ill-posedness of the problem when the above condition is satisfied. The advantages of the naive method are its model independence and the possibility of obtaining the covariance matrix of a Born cross section in a simple way.It should be noted that there are already a number of methods for obtaining a Born cross section using visible cross section data, which are commonly used in e+e− experiments. However, at least some of these methods have various disadvantages, such as model dependence and relative complexity of obtaining a Born cross section covariance matrix. It should be noted that this paper focuses on the naive method, while conventional methods are hardly covered. The paper also discusses solving the problem using the Tikhonov regularization, so that the reader can better understand the difference between regularized and non-regularized solutions. However, it should be noted that, in contrast to the naive method, regularization methods can hardly be used for precise obtaining of a Born cross section. The reason is that the regularized solution is biased and the covariance matrix of this solution do not represent the correct covariance matrix of a Born cross section.
Autologe Knorpelzelltransplantation mit Knochenaufbau zur Behandlung osteochondraler Defekte am Knie
Authors: Stotter Christoph , Nehrer Stefan , Klestil Thomas , Reuter Philippe 
Published: November 2021

Zusammenfassung
Operationsziel
Offene Therapie osteochondraler Läsionen des Kniegelenks zur vollständigen Auffüllung knöcherner Defekte und Wiederherstellung der Gelenkfläche.

Indikationen
Fokale, symptomatische osteochondrale Defekte des Kniegelenks ab einer Knochendefekttiefe von ≥ 5 mm und Größe von ≥ 1,5 cm2.

Kontraindikationen
Arthrose (> KL Grad 2), „kissing lesions“ (ICRS > Grad 2), Alter > 50 Jahre, unbehandelte Bandinstabilitäten oder Beinachsenfehstellungen zum Nachteil des betroffenen Gelenkkompartiments, fehlendes Defektcontainment, entzündliche Gelenkerkrankungen.

Operationstechnik
Zweizeitiger Eingriff: Ersteingriff (arthroskopische Knorpelprobenentnahme): Defektevaluierung, Entnahme von Knorpelstücken für die Chondrozytenkultivierung, bei Bedarf Behandlung von Begleitpathologien. Zweiteingriff (offene Defektbehandlung): Arthrotomie, Präparation des knöchernen Defekts, Auffüllung mit autologen Spongiosazylindern aus dem Beckenkamm, Knorpeldefektpräparation (kann größer als knöcherner Defekt sein) und matrixgestützte autologe Chondrozytentransplantation.

Weiterbehandlung
Ersteingriff: frühfunktionelle Nachbehandlung mit schmerzorientierter Vollbelastung je nach Begleiteingriffen. Zweiteingriff: keine Drainage, funktionelle Kniegelenkorthese in Streckstellung für 1 Woche, danach schrittweise Freigabe der Flexion, Teilbelastung für 6 Wochen, Motorschiene (CPM) ab dem 1. postoperativen Tag.

Ergebnisse
Seit 2018 sind 8 Patienten (mittleres Alter 29,4 Jahre, Spanne 18 bis 36) mit der beschriebenen Technik behandelt worden. Alle Patienten konnten nach durchschnittlich 12 Monaten nachuntersucht werden. Der Gesamt-KOOS (Knee injury and Osteoarthritis Outcome Score) verbesserte sich im Mittel von 45,8 auf 81,3, und die postoperativen radiologischen Kontrollen zeigten die Einheilung der Spongiosazylinder bei allen Patienten. Der MOCART (Magnetic Resonance Observation of Cartilage Repair Tissue) Score ergab 80,4 Punkte.
Research@ZaB: FDS Features for Pressure Loading Assessment Within the Context of the Train-Tunnel Model Development
Authors: Patsekha Aliaksei , Galler Robert 
Published: November 2021

AbstractThe CFD model of the train-tunnel system, previously developed on proven analytical dependencies, is improved by the introduction of a tunnel cross-passage and the consideration of surface roughness. These additions bring the simulation setup closer to real conditions allowing to explore the FDS features in the evaluation of the aerodynamic effects occurring in a tunnel. Pressure and velocity patterns are obtained for the resulting model of a high-speed train in a tunnel with a cross-passage. The maximal and minimal pressure levels for the tunnel and the cross-passage spans are calculated to provide the data for the design phase and safety assessment. The approach to determine the most loaded surfaces of the tunnel and its inner structures, e.g. escape doors, for an estimation of their operational reliability is discussed. The study shows that the FDS software can be a helpful tool in assessing scenarios where the train-tunnel interaction is reviewed, though its applicable capabilities and set of features are largely dependent on the tasks to solve and need to be accurately adjusted.
Meaningful climate science
Authors: Shepherd Theodore G. , Lloyd Elisabeth A. 
Published: November 2021

AbstractWithin the climate science community, useable climate science has been understood as quantitative, usually as a best estimate together with a quantified uncertainty. Physical scientists are trained to produce numbers and to draw general, abstract conclusions. In general, however, people relate much better to stories and to events they have experienced, which are inevitably contingent and particular. Sheila Jasanoff has argued elsewhere that the process of abstraction in climate science “detaches knowledge from meaning”. Perhaps useable climate science is, then,meaningfulclimate science. We argue here that the development of meaningful climate science can be achieved by adopting a storyline approach to climate variability and change. By ‘storyline’ we mean a physically self-consistent unfolding of past events or of plausible future events or pathways. Storylines represent a combination of qualitative and quantitative information, where the qualitative element represents a packaging or contextualization of the quantitative aspects, which ensures that data can be meaningfully interpreted. Viewed from this perspective, we show that physical climate storylines can be aligned with several well-established vehicles for translation of knowledge between diverse communities: narratives, boundary objects, and data journeys. They can therefore be used as a ‘pidgin language’ to enrich the set of tools available to climate scientists to bring meaning to climate knowledge.“And what is the use of a book”, thought Alice, “without pictures or conversations?” (Lewis Carroll, Alice’s Adventures in Wonderland).
Venous thromboembolism chemical prophylaxis after endoscopic trans-sphenoidal pituitary surgery
Authors: Waqar Mueez , Chadwick Annabel , Kersey James , Horner Daniel , Kearney Tara , Karabatsou Konstantina , Gnanalingham Kanna K. , Pathmanaban Omar N. 
Published: November 2021

Abstract
Purpose
There is no compelling outcome data or clear guidance surrounding postoperative venous thromboembolism (VTE) prophylaxis using low molecular weight heparin (chemoprophylaxis) in patients undergoing pituitary surgery. Here we describe our experience of early chemoprophylaxis (post-operative day 1) following trans-sphenoidal pituitary surgery.

Methods
Single-centre review of a prospective surgical database and VTE records. Adults undergoing first time trans-sphenoidal pituitary surgery were included (2009–2018). VTE was defined as either deep vein thrombosis and/or pulmonary embolism within 3 months of surgery. Postoperative haematomas were those associated with a clinical deterioration together with radiological evidence.

Results
651 Patients included with a median age of 55 years (range 16–86 years). Most (99%) patients underwent trans-sphenoidal surgery using a standard endoscopic single nostril or bi-nostril trans-sphenoidal technique. More than three quarters had pituitary adenomas (n = 520, 80%). Postoperative chemoprophylaxis to prevent VTE was administered in 478 patients (73%). Chemoprophylaxis was initiated at a median of 1 day post-procedure (range 1–5 days postoperatively; 92% on postoperative day 1). Tinzaparin was used in 465/478 patients (97%) and enoxaparin was used in 14/478 (3%). There were no cases of VTE, even in 78 ACTH-dependent Cushing’s disease patients. Six patients (1%) developed postoperative haematomas. Chemoprophylaxis was not associated with a significantly higher rate of postoperative haematoma formation (Fisher’s Exact, p = 0.99) or epistaxis (Fisher’s Exact, p > 0.99).

Conclusions
Chemoprophylaxis after trans-sphenoidal pituitary surgery on post-operative day 1 is a safe strategy to reduce the risk of VTE without significantly increasing the risk of postoperative bleeding events.
In Situ Investigation of Plastic-Associated Bacterial Communities in a Freshwater Lake of Hungary
Authors: Szabó István , Al-Omari Jafar , Szerdahelyi Gábor Soma , Farkas Milán , Al-Omari Yazid , Szabó Péter Márton , Sebők Rózsa , Griffitts Jeffrey , Kriszt Balázs , Szoboszlay Sándor 
Published: November 2021

AbstractDespite the great benefits of plastics in different aspects of life and due to the increase in plastic production and use, plastic wastes are becoming a major environmental concern. It is well known that inappropriate use and disposal lead to the accumulation of plastic litter in different aquatic environments. Microbial biofilm is able to develop on the surface of plastics (plastisphere) in aquatic environments over time. The aim of this study was to describe the bacterial communities associated with plastics in freshwater. Thus, in our first test, a total of six self-designed plastic colonizers were submerged under the surface of the water in Vácszentlászló lake, located in central Hungary, for a period of 3 months. Two plastic colonizers were cultivated monthly. Associated microbial communities were then analyzed as follows: (a) bacterial communities were studied by amplicon sequencing and (b) culturable bacteria were isolated from plastic surfaces and identified by 16S rRNA gene sequencing. Coinciding with these analyses of plastic colonizing communities, surface water samples from the lake were also taken, and in a second test, other materials (eg. wood, glass) associated bacterial communities were also investigated with the same methods. Amplicon sequencing showed notable differences between the plastic and other materials colonizing, and lake waterborne microbial community composition. Using the LB agar, no novel species were found; however, several known pathogenic species were identified. The self-designed plastic colonizer was successfully used during the winter over a 3-month period, suggesting that it could be an appropriate method of choice to study microplastic-associated microbes for longer periods and in variable environmental conditions.