bluuebunny/crossref_metadata_2025_split huggingface dataset:
Removal of ketoprofen from surface water in a submerged photocatalytic membrane reactor utilizing membrane distillation: effect of process parameters and evaluation of long‐term performance
Authors: Mozia Sylwia , Rajakumaran Revathy , Szymański Kacper , Gryta Marek 
Published: January 2023

AbstractBACKGROUNDThe increasing presence of contaminants of emerging concern, including pharmaceuticals, in the environment creates an urgent need for development of efficient technologies of water treatment. A promising solution could be the application of hybrid systems combining advanced oxidation processes and membrane technology. The presented investigations were focused on the treatment of simulated surface water contaminated with ketoprofen in a submerged photocatalytic membrane reactor utilizing direct contact membrane distillation (SPMR‐DCMD). The influence of operational parameters such as TiO2 photocatalyst concentration, feed temperature and aeration rate was examined. Moreover, the long‐term performance of the polypropylene membrane in the SPMR‐DCMD was evaluated.RESULTSIt was proved that the increase in feed temperature not only improved the permeate flux but also enhanced the degradation efficiency, despite a simultaneous decrease in dissolved oxygen concentration. Aeration of feed did not improve the photodegradation rate, but enhanced the product quality, especially with reference to removal of CO2, thus reducing the aggressive properties of water. The presence of TiO2 was proved to enhance the permeate flux. During 200 h of SPMR‐DCMD operation the conductivity of the distillate did not exceed 3 μS cm−1 (vs. 0.1–0.5 mS cm−1 in feed), showing a high quality of the product.CONCLUSIONThe obtained results revealed a significant advantage of SPMR‐DCMD over the systems utilizing pressure‐driven membrane processes. Permeate quality was very high and no negative effect of the fouling layer on system performance was found. Moreover, the applied membrane exhibited very good stability during long‐term operation. © 2023 Society of Chemical Industry (SCI).
Spatially and velocity‐selective magnetization preparation for noncontrast‐enhanced peripheral MR angiography
Authors: Shin Taehoon , Lee Hyun‐Soo , Zun Zungho , Jang Jinhee 
Published: January 2023

AbstractThe purpose of the current study was to develop spatially and velocity‐selective (SVS) magnetization preparation pulses for noncontrast‐enhanced peripheral MR angiography (MRA) to provide comparisons with velocity‐selective (VS) MRA with comparison to velocity‐selective (VS). VS preparation pulses were designed by concatenating multiple excitation steps, each of which was a combination of a hard RF pulse, VS unipolar gradient pulses, and refocusing RF pulses. SVS preparation pulses were designed by replacing the hard RF pulse with a sinc‐shaped RF pulse combined with a symmetric tripolar gradient pulse (which does not perturb the velocity encoding by the VS unipolar gradient pulses). Numerical simulations were performed to verify the intended hybrid excitation selectivity of SVS pulses taking account of tissue relaxation, magnetic field errors, and eddy currents. In vivo experiments were performed in healthy subjects to verify the hybrid excitation selectivity, as well as to demonstrate the visualization of the entire peripheral arteries using six‐station protocols. As demonstrated by numerical simulations, SVS preparation yielded a notch‐shaped longitudinal magnetization (Mz)‐velocity response within the spatial stopband (the same as VS preparation) and preserved the Mz of spins outside the stopband, regardless of its velocity. We confirmed these observations also through in vivo tests with good agreement in normalized arterial and muscle signal intensities. In six‐station peripheral MRA experiments, the proposed SVS‐MRA yielded significantly higher arterial signal‐to‐noise ratio (SNR) (51.6 ± 14.3 vs. 38.9 ± 10.9; p < 0.001) and contrast‐to‐noise ratio (CNR) (41.2 ± 13.0 vs. 31.3 ± 10.5; p < 0.001) compared with VS‐MRA. The proposed SVS‐MRA improves arterial SNR and CNR compared with VS‐MRA by mitigating undesired presaturation of arterial blood upstream the imaging field of view.
A unified global tractography framework for automatic visual pathway reconstruction
Authors: He Jianzhong , Yao Shun , Zeng Qingrun , Chen Jinping , Sang Tian , Xie Lei , Pan Yiang , Feng Yuanjing 
Published: January 2023

AbstractThe human visual pathway starts from the retina, passes through the retinogeniculate visual pathway, the optic radiation, and finally connects to the primary visual cortex. Diffusion MRI tractography is the only technology that can noninvasively reconstruct the visual pathway. However, complete and accurate visual pathway reconstruction is challenging because of the skull base environment and complex fiber geometries. Specifically, the optic nerve within the complex skull base environment can cause abnormal diffusion signals. The crossing and fanning fibers at the optic chiasm, and a sharp turn of Meyer's loop at the optic radiation, contribute to complex fiber geometries of the visual pathway. A fiber trajectory distribution (FTD) function‐based tractography method of our previous work and several high sensitivity tractography methods can reveal these complex fiber geometries, but are accompanied by false‐positive fibers. Thus, the related studies of the visual pathway mostly applied the expert region of interest selection strategy. However, interobserver variability is an issue in reconstructing an accurate visual pathway. In this paper, we propose a unified global tractography framework to automatically reconstruct the visual pathway. We first extend the FTD function to a high‐order streamline differential equation for global trajectory estimation. At the global level, the tractography process is simplified as the estimation of global trajectory distribution coefficients by minimizing the cost between trajectory distribution and the selected directions under the prior guidance by introducing the tractography template as anatomic priors. Furthermore, we use a deep learning‐based method and tractography template prior information to automatically generate the mask for tractography. The experimental results demonstrate that our proposed method can successfully reconstruct the visual pathway with high accuracy.
A multilevel Monte Carlo ensemble and hybridizable discontinuous Galerkin method for a stochastic parabolic problem
Authors: Li Meng , Luo Xianbing 
Published: January 2023

AbstractA second‐order, multilevel Monte Carlo ensemble, and hybridizable discontinuous Galerkin (MLMCE‐HDG) method is proposed to solve the stochastic parabolic partial differential equations (SPDEs). By introducing an ensemble average of the diffusion coefficient, the MLMCE‐HDG method results in a single discrete system with multiple right‐hand‐vectors, which can be solved more efficiently than a group of linear systems. A rigorous error estimate is obtained with a second‐order accuracy in time and optimal convergence rate in physical space. Comparing with the multilevel Monte Carlo and hybridizable discontinuous Galerkin (MLMC‐HDG) method, the MLMCE‐HDG method can reduce the computational cost. Finally, we provide several numerical experiments to illustrate the theoretical results.
A cost‐effective strategy for the synthesis of polystyrene‐polyisobutylene‐polystyrene triblock copolymer (SIBS) based on dicumyl chloride/TiCl4/Ti(OiPr)4 initiating system
Authors: Xu Shucheng , Yang Ke , Liu Qiang , Li Hui , Zhang Hao , Zhuang Tao , Yan Shouke , Ding Junwei 
Published: January 2023

AbstractA cost‐effective strategy has been developed for the synthesis of polystyrene‐polyisobutylene‐polystyrene (PS‐PIB‐PS) triblock copolymer (SIBS) with relative narrow molecular weight distribution (MWD) via the addition of Ti(OiPr)4. First, the controlled polymerization of styrene (St) was achieved by using TMPCl/TiCl4/Ti(OiPr)4 initiating system from −80 to −50°C in a cost‐effective solvent mixture n‐Hexane/CH2Cl2 (v/v = 6/4). The –OiPr group was present in the form TiCl3(OiPr) for TiCl4/Ti(OiPr)4 ratio more than 3/1 and moderated the lifetime of the growing PS cation. Subsequently, Ti(OiPr)4 was added to the living charge of PIB initiated by initiator 1,4‐dicumyl chloride (DCC), followed by the addition of styrene monomer. The success of this developed synthesis methodology was confirmed by comparing the findings from GPC (Gel permeation chromatography) traces with and without the addition of Ti(OiPr)4. SIBS with nearly 30% weight content of PS (SIBS30) was successfully obtained with an optimally narrow MWD of 1.49 at −80°C by employing the TiCl4/Ti(OiPr)4 ratio of 6/1. Interestingly, SIBS30 with a very narrow PDI of 1.22 could be successfully synthetized at an elevated temperature of −60°C.
Modeling longitudinal change in biomarkers using data from a complex survey sampling design: An application to the Hispanic Community Health Study/Study of Latinos
Authors: Butera Nicole M. , Zeng Donglin , Heiss Gerardo , Cai Jianwen 
Published: January 2023

SummaryIn observational cohort studies, there is frequently interest in modeling longitudinal change in a biomarker (ie, physiological measure indicative of metabolic dysregulation or disease; eg, blood pressure) in the absence of treatment (ie, medication), and its association with modifiable risk factors expected to affect health (eg, body mass index). However, individuals may start treatment during the study period, and consequently biomarker values observed while on treatment may be different than those that would have been observed in the absence of treatment. If treated individuals are excluded from analysis, then effect estimates may be biased if treated individuals differ systematically from untreated individuals. We addressed this concern in the setting of the Hispanic Community Health Study/Study of Latinos (HCHS/SOL), an observational cohort study that employed a complex survey sampling design to enable inference to a finite target population. We considered biomarker values measured while on treatment to be missing data, and applied missing data methodology (inverse probability weighting (IPW) and doubly robust estimation) to this problem. The proposed methods leverage information collected between study visits on when individuals started treatment, by adapting IPW and doubly robust approaches to model the treatment mechanism using survival analysis methods. This methodology also incorporates sampling weights and uses a bootstrap approach to estimate standard errors accounting for the complex survey sampling design. We investigated variance estimation for these methods, conducted simulation studies to assess statistical performance in finite samples, and applied the methodology to model temporal change in blood pressure in HCHS/SOL.
Reexamining the Post‐Treatment Effects on Perovskite Solar Cells: Passivation and Chloride Redistribution
Authors: Yuan Ligang , Wang Jiarong , Huang Peng , Yin Qixin , Zou Shibing , Wang Lipeng , Zhang Zheng , Luo Huiming , Liu Feng , Qiu Jianhang , Xie Jiangsheng , Ding Liming , Yan Keyou 
Published: January 2023

AbstractPost‐treatment is an essential passivation step for the state‐of‐the‐art perovskite solar cells (PSCs) but the additional role is not yet exploited. In this work, perovskite film is fabricated under ambient air with wide humidity window and identify that chloride redistribution induced by post‐treatment plays an important role in high performance. The chlorine/iodine ratio on the perovskite surface increases from 0.037 to 0.439 after cyclohexylmethylammonium iodide (CHMAI) treatment and the PSCs deliver a champion power conversion efficiency (PCE) of 24.42% (certificated 23.60%). The maximum external quantum efficiency of electroluminescence (EQEEL) reaches to 10.84% with a radiance of 170 W sr−1 m−2, forming the reciprocity relation between EQEEL and nonradiative open‐circuit voltage loss (86.0 mV). After thermal annealing, 2D component of perovskite will increase while chloride decline, leading to improved photovoltage but reduced fill factor. Hence, it distinguishes that chloride enrichment can improve charge transport/recombination simultaneously and 2D passivation can suppress the nonradiative recombination. Moreover, CHMAI can leverage their roles in charge transport/recombination for better performance than phenylethylammonium iodide (Cl/I = 0.114, PCE = 23.32%), due to the stronger binding energy of Cl−. This work provides the insight that the chloride fixation can improve the photovoltaic performance.
Why Woodward and Hoffmann? And Why 1965?**
Authors: Seeman Jeffrey I. 
Published: January 2023

AbstractPrevious publications in this series on the history of the development of the Woodward–Hoffmann rules revealed why Woodward and Hoffmann were prime candidates to solve the pericyclic no‐mechanism problem. This publication explains why it was the collaborative team of R. B. Woodward and Roald Hoffmann who did solve this mechanistic problem in a series of five communications in the Journal of the American Chemical Society in 1965. That is, the reasons why Woodward and Hoffmann were the perfect team, and why their individual capabilities, experiences, and qualities provided the perfect synergy are described. In part, this was the right time and the right place for them both, but the synergies were fundamental, intrinsic and idiosyncratic as a collaborative pair. Their orbital symmetry rules provided the mechanism of all concerted pericyclic reactions including electrocyclizations, cycloadditions, and sigmatropic rearrangements. Why it was 1965 and not earlier is also discussed.
Fluorinated Imines in Tandem and Cycloaddition Reactions
Authors: Escorihuela Jorge , Fustero Santos 
Published: January 2023

AbstractThe chemistry of fluorinated compounds has experienced extraordinary growth in recent decades due to the many and varied properties which many of the compounds that contain fluorinated groups possess. Among all of them, fluorinated chiral imines, in particular the Ellman's imines, are of great importance since they are some of the most interesting building blocks for the synthesis of a large number of enantioenriched carbocycles and heterocycles with extraordinary biological and synthetic properties. This personal account covers the most significant results obtained in our research group in the last two decades concerning asymmetric tandem reactions, paying special attention to the intramolecular aza‐Michael reaction (IMAMR), diversity oriented synthesis (DOS), asymmetric tandem reactions involving a p‐tolylsulfinyl group as chiral inducer and cycloaddition processes, in particular, the Pauson‐Khand reaction, [2+2+2]‐cycloadditions and metathesis reactions, starting mainly from enyne compounds and through the use of fluorinated chiral N‐sulfinyl imines and their derivatives as starting materials.
Replacing starch with resistant starch (Laminaria japonica) improves water quality, nitrogen and phosphorus budget and microbial community in hybrid snakehead (Channa maculata ♀ × Channa argus ♂)
Authors: Wang Shaodan , Zuo Zhiheng , Wang Qiujie , Zhou Aiguo , Wang Guiqin , Xu Guohuan , Zou Jixing 
Published: January 2023

AbstractIt is essential to increase the use of carbohydrates as an energy source and improve protein synthesis and utilization to reduce ammonia nitrogen emissions. A 60‐day cultural experiment was conducted to assess the impact of resistant starch (kelp meal, Laminaria japonica) replacing starch on water quality, nitrogen and phosphorus budget and microbial community of hybrid snakehead. Approximately 1350 experimental fish (11.4 ± 0.15 g) were randomly divided into control group (C, 20% starch) and four resistant starch groups: low replacement group (LR, 15% starch), medium replacement group (MR, 10% starch), high replacement group (HR, 5% starch) and full replacement group (FR, 0% starch). The crude protein and crude fat content of hybrid snakehead fish fed with the FR diet had the most significant improvement (P < 0.05). However, resistant starch also increased the effectiveness of nitrogen and phosphorus utilization in hybrid snakeheads, which decreased the proportion of total nitrogen and total phosphorus in tail water. The minimum nitrogen and phosphorus emission rate was when the starch level was 6.1%. Denitrifying microbes including Gemmobacter, Rhodobacter, Emticicia and Bosea have become much more prevalent in group FR (P < 0.05). In general, replacing starch with resistant starch can enhance the rate at which nitrogen and phosphorus are used in feeding, lessening water pollution and altering environmental microbial composition.Practitioner Points

Resistant starch (RS) improves whole fish nutritional content.
Resistant starch improves dietary nitrogen and phosphorus utilization.
Resistant starch acts as a carbon source and encourages the colonization of denitrifying bacteria in water.
Determining all thermodynamic transport coefficients for an interacting large N quantum field theory
Authors: Weiner Max , Romatschke Paul 
Published: January 2023

Abstract
Thermodynamic transport coefficients can be calculated directly from quantum field theory without requiring analytic continuation to real time. We determine all second-order thermodynamic transport coefficients for the uncharged N-component massless (critical) scalar field theory with quartic interaction in the large N limit, for any value of the coupling. We find that in the large N limit, all thermodynamic transport coefficients for the interacting theory can be expressed analytically in terms of the in-medium mass and sums over modified Bessel functions. We expect our technique to allow a similar determination of all thermodynamic transport coefficients for all theories that are solvable in the large N limit, including certain gauge theories.
Expression of PKM2 in wound keratinocytes is coupled to angiogenesis during skin repair in vivo and in HaCaT keratinocytes in vitro
Authors: Sych Khrystyna , Nold Simon P. , Pfeilschifter Josef , Vutukuri Rajkumar , Meisterknecht Jana , Wittig Ilka , Frank Stefan , Goren Itamar 
Published: January 2023

Abstract
An injured skin is rapidly restored in a manner of wound healing. We have previously shown that intact insulin signaling and glucose uptake are fundamental to proper wound closure. Consequently, under exacerbated inflammation, compromised insulin action and glucose uptake lead to impaired healing. However, in spite of the increased attention to cell metabolism during tissue regeneration, metabolic mediators that govern cellular and physiological processes throughout skin repair remained largely elusive. Through assessment of mRNA using real-time PCR and protein blot analysis, we report that healing of cutaneous wounds comprise a boosted expression of genes involved in glycolysis, oxidative phosphorylation, pentose phosphate shunt, and glutamine anaplerosis. We further focused on the functional role of pyruvate kinase M (PKM) isoenzymes that catalyze the final and rate-limiting step of glycolysis. Whereas the expression of the metabolic constitutively active Pkm1 isozyme remained almost unchanged, Pkm2 is augmented during the inflammatory phase of healing. The immunohistochemistry and RNA in situ hybridization analysis showed a confined Pkm2 expression to keratinocytes of the hyperproliferative epithelium and, to a lesser extent, infiltrating neutrophils and monocytes as well as later on in macrophages. Notably, the expression of Pkm2 in keratinocytes facing the wound bed side colocalized with VEGF expression. The in vitro knockdown of PKM2 in HaCaT keratinocytes using small interfering (si) RNA confirmed an acute role for PKM2 in facilitating the complete induction of VEGF mRNA and protein expression in keratinocytes; this function is mainly HIF-1α independent.

Key messages
• Wound healing involves activation of glycolysis, oxidative phosphorylation, pentos-phosphate shunt, and replenishment of tri-carboxylic acid (TCA) cycle through glutamine anaplerosis.
• The pyruvate kinase M2 (PKM2) isoform is upregulated during the inflammatory phase of cutaneous healing, mainly in keratinocytes of hyperproliferative epithelia.
• In vivo, the expression of VEGF in wound keratinocytes is colocalized with PKM2.
• PKM2 is required for full induction of VEGF in HaCaT keratinocytes in vitro.
Extremely hot East Asia and flooding western South Asia in the summer of 2022 tied to reversed flow over Tibetan Plateau
Authors: He Chao , Zhou Tianjun , Zhang Lixia , Chen Xiaolong , Zhang Wenxia 
Published: January 2023

AbstractIn the summer (July and August) of 2022, unprecedented heat wave occurred along the Yangtze River Valley (YRV) over East Asia while unprecedented flood occurred over western South Asia (WSA), which are located on the eastern and western sides of Tibetan Plateau (TP). Here, by analyzing the interannual variability based on observational and reanalysis data, we show evidences that the anomalous zonal flow over subtropical Tibetan Plateau (TP) explains a major fraction the extreme events occurred in 2022. As isentropic surfaces incline eastward (westward) with altitude on the eastern (western) side of the warm center over TP in summer, anomalous easterly (westerly) flow in upper troposphere generates anomalous descent (ascent) on the eastern side of TP and anomalous ascent (descent) on the western side of TP via isentropic gliding. The anomalous easterly flow is extremely strong to reverse the climatological westerly flow over subtropical TP in 1994, 2006, 2013 and 2022. The easterly flow in 2022 is the strongest since 1979, and it generates unprecedented descent (ascent) anomaly on the eastern (western) side of TP, leading to extreme heat wave over YRV and extreme flood over WSA in 2022. The anomalously strong easterly flow over subtropical TP in 2022 is dominated by atmospheric internal variability related to mid-latitude wave train, while the cold sea surface temperature anomaly over the tropical Indian Ocean increases the probability of a reversed zonal flow over TP by reducing the meridional gradient of tropospheric temperature.
Treatment of neovascular age-related macular degeneration: insights into drug-switch real-world from the Berlin Macular Registry
Authors: Riemer Tommes , Berndt Dominique , Böker Alexander , Lehmann Josefine , Schrifl Ulrike , Rau Saskia , Rübsam Anne , Joussen Antonia M. , Zeitz Oliver 
Published: January 2023

Abstract

Purpose
Bevacizumab, ranibizumab, and aflibercept are commonly used to treat neovascular age-related macular degeneration (nAMD). The results of various interventional, mostly randomized head-to-head studies, indicate statistical non-inferiority of these three drugs. The results of these studies are often interpreted as the three drugs being freely interchangeable, resulting in some health systems to pressure ophthalmologists to preferentially use the less expensive bevacizumab. This study analyzes switching from aflibercept or ranibizumab to bevacizumab and back under real-world conditions in order to investigate the assumption of interchangeability of the drugs.

Methods
Treatment data of IVT patients with diagnosed nAMD were extracted from the clinical Berlin Macular Registry database. Patients who underwent a drug switch from aflibercept or ranibizumab to bevacizumab were subject of this study. Statistical comparisons were pre-planned for best corrected visual acuity, central retinal thickness, macular volume, and length of injection interval. Additional endpoints were analyzed descriptively.

Results
Mean visual acuity decreased from 0.57 ± 0.05 under aflibercept/ranibizumab to 0.68 ± 0.06 logMAR after the switch (P = 0.001; N = 63). CRT increased from 308 ± 11 µm to 336 ± 16 µm (P = 0.011; N = 63). About half of the subjects were switched back: visual acuity increased from 0.69 ± 0.08 logMAR to 0.58 ± 0.09 logMAR (N = 26). CRT decreased from 396 ± 28 to 337 ± 20 µm (N = 28).

Conclusion
The data provides real-world evidence that there is loss of visual acuity and an increase in retinal edema after switching to bevacizumab. Thus, the assumption of free interchangeability cannot be confirmed in this cohort.