bluuebunny/crossref_metadata_2025 huggingface dataset:
Two Random Forest Models for the Non‐Iterative Parametrization of Surface‐Layer Turbulent Fluxes
Authors: Yu Yingxin , Gao Chloe Yuchao , Li Yubin , Gao Zhiqiu
Published: November 2023

This study investigated two random forest (RF) models for the non‐iterative parametrization of surface‐layer turbulent fluxes: (a) the RF scheme, a calculation model that is directly trained using correlated variables, and (b) the RF_Li10 scheme, a random forest correction model based on the Li10 scheme (Li et al., 2010, https://doi.org/10.1007/s10546-010-9523-y). A comparison between these two new models and the Li10 scheme against an iterative scheme revealed the hierarchy of maximum relative errors in estimating stability parameters, as well as momentum and heat transfer coefficients. This hierarchy is as follows: the Li10 scheme is the greatest, followed by the RF scheme, with the RF_Li10 scheme exhibiting the least errors.
ENSO‐Related Fire Weather Changes in Southeast and Equatorial Asia: A Quantitative Evaluation Using Fire Weather Index
Authors: Zheng Huiyang , Xue Lian , Ding Ke , Lou Sijia , Wang Zilin , Ding Aijun , Huang Xin
Published: November 2023

Interannual variability of tropical fire activity has been linked to the El Niño‐Southern Oscillation (ENSO). Here we analyze changes in fire and simultaneous fire weather related to ENSO over Southeast (SEAS) and Equatorial Asia (EQAS) and quantitively evaluate the contribution of key meteorological variables to the fire weather variations for the past decades. During the fire seasons, large increases in fires emerge in El Niño years, which greatly coincides with the more fire‐susceptible weather conditions compared to La Niña years. Moreover, the fires exhibit a more significant correlation with the ENSO index in El Niño years, mainly due to the influence of asymmetry response of the fire weather to ENSO. Composite analysis shows that it is the positive anomalous low‐level geopotential height and less water vapor transportation over SEAS (March–May) and EQAS (August–October) during El Niño that forms the fire‐favoring weather. By conducting tests in calculating fire weather index (FWI) under different ideal conditions, we identified the daily precipitation as the dominant driver of FWI variation, with the contribution reaching 65.5%–77.5% and 60.9%–90.5% for SEAS and EQAS respectively, while decreased relative humidity induces nearly a quarter of increases in FWI in El Niño years. Changes in temperature and wind speed, however, rarely perturb the fire weather for both SEAS and EQAS regions. The quantitative evaluations of individual meteorological variables in shaping fire weather as well as their asymmetrical response in ENSO years could support fire management during fire seasons in Tropical Asia.
Single-cell analysis of immune recognition in chronic myeloid leukemia patients following tyrosine kinase inhibitor discontinuation
Authors: Huuhtanen Jani , Adnan-Awad Shady , Theodoropoulos Jason , Forstén Sofia , Warfvinge Rebecca , Dufva Olli , Bouhlal Jonas , Dhapola Parashar , Duàn Hanna , Laajala Essi , Kasanen Tiina , Klievink Jay , Ilander Mette , Jaatinen Taina , Olsson-Strömberg Ulla , Hjorth-Hansen Henrik , Burchert Andreas , Karlsson Göran , Kreutzman Anna , Lähdesmäki Harri , Mustjoki Satu
Published: November 2023

Immunological control of residual leukemia cells is thought to occur in patients with chronic myeloid leukemia (CML) that maintain treatment-free remission (TFR) following tyrosine kinase inhibitor (TKI) discontinuation. To study this, we analyzed 55 single-cell RNA and T cell receptor (TCR) sequenced samples (scRNA+TCRαβ-seq) from patients with CML (n = 13, N = 25), other cancers (n = 28), and healthy (n = 7). The high number and active phenotype of natural killer (NK) cells in CML separated them from healthy and other cancers. Most NK cells in CML belonged to the active CD56dim cluster with high expression of GZMA/B, PRF1, CCL3/4, and IFNG, with interactions with leukemic cells via inhibitory LGALS9–TIM3 and PVR–TIGIT interactions. Accordingly, upregulation of LGALS9 was observed in CML target cells and TIM3 in NK cells when co-cultured together. Additionally, we created a classifier to identify TCRs targeting leukemia-associated antigen PR1 and quantified anti-PR1 T cells in 90 CML and 786 healthy TCRβ-sequenced samples. Anti-PR1 T cells were more prevalent in CML, enriched in bone marrow samples, and enriched in the mature, cytotoxic CD8 + TEMRA cluster, especially in a patient maintaining TFR. Our results highlight the role of NK cells and anti-PR1 T cells in anti-leukemic immune responses in CML.
Distributional labour challenges and opportunities for decarbonizing the US power system
Authors: Xie Judy Jingwei , Martin Melissa , Rogelj Joeri , Staffell Iain
Published: November 2023

The transition towards a low-carbon power system presents challenges and opportunities for the workforce with important implications for just transitions. Studies of these distributional labour impacts could benefit from tighter linkages between energy and employment modelling. Here, we couple a power-sector optimization model, an employment impact model and demographic databases to understand state-level job characteristics and the societal implications of low-carbon transitions in the US. Although decarbonization brings consistent job growth, it heightens the need for investment in human capital and supply chain restructuring. Major fossil fuel-producing states need to prepare for fewer mining jobs under the US Long-Term Strategy, so other opportunities should be created or seized. The lowest-skilled workers will experience more uncertain employment outcomes. Expanding renewable energy could improve opportunities for women in fossil fuel-dependent states, but not enough to disrupt the national gender status quo. This work provides a new quantitative perspective to inform proactive just transition policies.
A high-throughput and low-waste viability assay for microbes
Authors: Meyer Christian T. , Lynch Grace K. , Stamo Dana F. , Miller Eugene J. , Chatterjee Anushree , Kralj Joel M.
Published: November 2023

Counting viable cells is a universal practice in microbiology. The colony-forming unit (CFU) assay has remained the gold standard to measure viability across disciplines, but it is time-intensive and resource-consuming. Here we describe the geometric viability assay (GVA) that replicates CFU measurements over 6 orders of magnitude while reducing over 10-fold the time and consumables required. GVA computes a sample’s viable cell count on the basis of the distribution of embedded colonies growing inside a pipette tip. GVA is compatible with Gram-positive and Gram-negative planktonic bacteria (Escherichia coli, Pseudomonas aeruginosa and Bacillus subtilis), biofilms and fungi (Saccharomyces cerevisiae). Laborious CFU experiments such as checkerboard assays, treatment time-courses and drug screens against slow-growing cells are simplified by GVA. The ease and low cost of GVA evinces that it can replace existing viability assays and enable viability measurements at previously impractical scales.
Profiling mitochondria-polyribosome lncRNAs associated with pluripotency
Authors: Zhou Lei , Li Hui , Sun Tingge , Wen Xue , Niu Chao , Li Min , Li Wei , Esteban Miguel A. , Hoffman Andrew R. , Hu Ji-Fan , Cui Jiuwei
Published: November 2023

Pluripotent stem cells (PSCs) provide unlimited resources for regenerative medicine because of their potential for self-renewal and differentiation into many different cell types. The pluripotency of these PSCs is dynamically regulated at multiple cellular organelle levels. To delineate the factors that coordinate this inter-organelle crosstalk, we profiled those long non-coding RNAs (lncRNAs) that may participate in the regulation of multiple cellular organelles in PSCs. We have developed a unique strand-specific RNA-seq dataset of lncRNAs that may interact with mitochondria (mtlncRNAs) and polyribosomes (prlncRNAs). Among the lncRNAs differentially expressed between induced pluripotent stem cells (iPSCs), fibroblasts, and positive control H9 human embryonic stem cells, we identified 11 prlncRNAs related to stem cell reprogramming and exit from pluripotency. In conjunction with the total RNA-seq data, this dataset provides a valuable resource to examine the role of lncRNAs in pluripotency, particularly for studies investigating the inter-organelle crosstalk network involved in germ cell development and human reproduction.
Smoking and salivary microbiota: a cross-sectional analysis of an Italian alpine population
Authors: Antonello Giacomo , Blostein Freida , Bhaumik Deesha , Davis Elyse , Gögele Martin , Melotti Roberto , Pramstaller Peter , Pattaro Cristian , Segata Nicola , Foxman Betsy , Fuchsberger Christian
Published: November 2023

The oral microbiota plays an important role in the exogenous nitrate reduction pathway and is associated with heart and periodontal disease and cigarette smoking. We describe smoking-related changes in oral microbiota composition and resulting potential metabolic pathway changes that may explain smoking-related changes in disease risk. We analyzed health information and salivary microbiota composition among 1601 Cooperative Health Research in South Tyrol participants collected 2017–2018. Salivary microbiota taxa were assigned from amplicon sequences of the 16S-V4 rRNA and used to describe microbiota composition and predict metabolic pathways. Aerobic taxa relative abundance decreased with daily smoking intensity and increased with years since cessation, as did inferred nitrate reduction. Former smokers tended to be more similar to Never smokers than to Current smokers, especially those who had quit for longer than 5 years. Cigarette smoking has a consistent, generalizable association on oral microbiota composition and predicted metabolic pathways, some of which associate in a dose-dependent fashion. Smokers who quit for longer than 5 years tend to have salivary microbiota profiles comparable to never smokers.
Influence of magnetic field on MHD mixed convection in lid-driven cavity with heated wavy bottom surface
Authors: Mahmuda Maya Mst. Umme , Alam Md. Nur , Refaie Ali Ahmed
Published: November 2023

This study investigates the influence of a rectangular heat source on magnetohydrodynamic hybrid convection flow in a lid-driven cavity. The effects of various parameters, such as the heat source size, magnetic field strength, and heat absorption/generation, are analyzed. The results show that increasing the heat source size decreases the average Nusselt number along the heated wall. The average Nusselt number also decreases with higher magnetic field strength and heat generation, while it increases with heat absorption. The major finding is to apply an important technique the Galerkin weighted residual technique of the finite element (FE) method to solve the non-dimensional equations and the associated boundary conditions. The isotherms are used to show the temperature distribution in a domain. Streamline present the flow field in the enclosure. However, it is easy to realize the direction and intensity of the heat transfer particularly in convection problems which the path of heat flux is perpendicular and the isotherm due to convection effect. Thus, the purpose of this research is to study the results of mixed convection. The effects of location and height of the partitions are considered for the various Richardson numbers. Fluid flow field, thermal field and heat transfer are presented through the streamlines and isotherms, respectively. Results are substantiated relating to the published work.
Angiogenic potential of skeletal muscle derived extracellular vesicles differs between oxidative and glycolytic muscle tissue in mice
Authors: Kargl Christopher K. , Jia Zhihao , Shera Deborah A. , Sullivan Brian P. , Burton Lundon C. , Kim Kun Ho , Nie Yaohui , Hubal Monica J. , Shannahan Jonathan H. , Kuang Shihuan , Gavin Timothy P.
Published: November 2023

Skeletal muscle fibers regulate surrounding endothelial cells (EC) via secretion of numerous angiogenic factors, including extracellular vesicles (SkM-EV). Muscle fibers are broadly classified as oxidative (OXI) or glycolytic (GLY) depending on their metabolic characteristics. OXI fibers secrete more pro-angiogenic factors and have greater capillary densities than GLY fibers. OXI muscle secretes more EV than GLY, however it is unknown whether muscle metabolic characteristics regulate EV contents and signaling potential. EVs were isolated from primarily oxidative or glycolytic muscle tissue from mice. MicroRNA (miR) contents were determined and endothelial cells were treated with OXI- and GLY-EV to investigate angiogenic signaling potential. There were considerable differences in miR contents between OXI- and GLY-EV and pathway analysis identified that OXI-EV miR were predicted to positively regulate multiple endothelial-specific pathways, compared to GLY-EV. OXI-EV improved in vitro angiogenesis, which may have been mediated through nitric oxide synthase (NOS) related pathways, as treatment of endothelial cells with a non-selective NOS inhibitor abolished the angiogenic benefits of OXI-EV. This is the first report to show widespread differences in miR contents between SkM-EV isolated from metabolically different muscle tissue and the first to demonstrate that oxidative muscle tissue secretes EV with greater angiogenic signaling potential than glycolytic muscle tissue.
Daeshiho-tang attenuates inflammatory response and oxidative stress in LPS-stimulated macrophages by regulating TLR4/MyD88, NF-κB, MAPK, and Nrf2/HO-1 pathways
Authors: Oh Yong Jin , Jin Seong Eun , Shin Hyeun-Kyoo , Ha Hyekyung
Published: November 2023

Daeshiho-tang (DSHT), a traditional herbal formula with diverse pharmacological effects, has shown promise in medicine owing to its anti-hypertensive, anti-diabetic, and anti-inflammatory properties. However, the precise molecular mechanism underlying these effects remains unclear. Thus, we investigated the effect of DSHT on inflammatory response and oxidative stress to understand its molecular mechanism using lipopolysaccharide (LPS)-induced macrophage (RAW 264.7) cells. DSHT decreased the contents of nitric oxide (NO) and prostaglandin E2 (PGE2) through downregulating inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2) protein expressions. DSHT suppressed the LPS-induced TLR4 as well as MyD88, subsequently suppressing the NF-κB activation and the phosphorylation of MAPK (p38, ERK, and JNK). Radical scavenging activity results revealed a dose-dependent response of DSHT with diminished ABTS activity, a hallmark of oxidative stress potential. Furthermore, DSHT enhanced Nrf2 and HO-1 expression in response to LPS. Collectively, our findings indicated that DSHT exert anti-inflammatory effect and regulating oxidative stress by modulating TLR4/MyD88, NF-κB, MAPK, and Nrf2/HO-1 pathways, consequently can provide potential therapeutic strategy for the prevention and treatment of inflammation and oxidative stress-related diseases.
The study of tryptophol containing emulgel on fungal reduction and skin irritation
Authors: Kitisin Thitinan , Muangkaew Watcharamat , Thitipramote Natthawut , Pudgerd Arnon , Sukphopetch Passanesh
Published: November 2023

Tryptophol (TOH), a fungal quorum-sensing molecule, that possesses anti-fungal activities for controlling the growth of human pathogenic fungi. In the present study, we developed TOH-containing emulgel formulations and examined the antifungal activities and potential use as topical treatments on the skin. The results showed that TOH-containing emulgel at 1000 μM has excellent physical characteristics as homogenous, stability, and inhibits the growth of 30 species of human pathogenic fungi in vitro. TOH-containing emulgel did not cause skin irritation in mouse model of irritation and in healthy human volunteers. Moreover, an increase in skin hydration and a decrease in trans-epidermal water loss (TEWL) were observed after TOH-containing emulgel treatment on human skin. Our findings indicated that TOH-containing emulgel can be utilize as an antifungal agent for topical treatment against fungal infections on the skin.
Longitudinal anatomical and visual outcome of macular telangiectasia type 2 in Asian patients
Authors: Totsuka Kiyoto , Aoki Shuichiro , Arai Takahiro , Kitamoto Kodai , Azuma Keiko , Fujino Ryosuke , Inoue Tatsuya , Obata Ryo
Published: November 2023

Limited information regarding the anatomical and visual prognosis of macular telangiectasia (MacTel) type 2 in the Asian population is currently available. Herein, we conducted a retrospective longitudinal analysis of Japanese patients diagnosed with MacTel type 2. Disease progression was evaluated using the Simple MacTel Classification developed by Chew EY et al. in 2023, and its association with visual changes was analyzed. Sixteen eyes of eight Japanese patients were included in the study, with an average follow-up period of 8.2 ± 3.9 years (range, 2.2–14.0). At the initial visit, 7 (44%) and 5 (31%) eyes were classified as Grade 2 (central ellipsoid zone break) and Grade 3 (noncentral pigment), respectively. The proportion of eyes that progressed by 1 or 2-steps in grade after 1, 3, 5, 8, and 12 years was 0%, 14%, 43%, 70%, and 100%, or 0%, 7%, 7%, 30%, and 75%, respectively. The visual acuity significantly deteriorated during the follow-up period, particularly in the two eyes with full-thickness macular holes (FTMH). Three out of 7 patients exhibited low serum serine concentrations, although no apparent correlation with anatomical or visual outcomes was observed. Overall, this cohort demonstrated chronic disease progression, both anatomically and functionally, in eyes with MacTel type 2, with FTMH potentially associated with greater visual loss.
Water quality footprint of agricultural emissions of nitrogen, phosphorus and glyphosate associated with German bioeconomy
Authors: Schomberg Anna C. , Bringezu Stefan , Beusen Arthur W. H.
Published: November 2023

Fertiliser and pesticide application can cause extensive environmental damage. We use the water quality footprint to express nitrogen, phosphorus and glyphosate emissions from agriculture in volumes of water needed to virtually dilute pollution and apply the approach to agricultural imports for the German bioeconomy in 1995 and 2020. In total, the virtual German water quality footprint corresponds to 90 times the volume of Lake Constance. If water pollution had to be eliminated by dilution in export countries supplying Germany, volumes would be by a median of 300 times higher than the associated irrigation volumes there and could exceed natural water availability. Important and growing hotspots of clean water scarcity are China, Spain and India. The impact of German agricultural supply chains needs to be monitored with regard to the sustainability of national consumption and to the effectiveness of increasing fertiliser and pesticide use, especially in African, Asian and Pacific countries.
A comparison of size exclusion chromatography-based tandem strategies for plasma exosome enrichment and proteomic analysis
Authors: Bai H. H. , Wang X. F. , Zhang B. Y. , Liu W.
Published: November 2023

The capacities of four different size exclusion chromatography (SEC)-based methods were evaluated for the purpose of establishing a “gold standard method” for isolation of exosomes from human plasma and thus accurate proteomic analysis.
Collagen biomaterials promote the regenerative repair of abdominal wall defects in Bama miniature pigs
Authors: Qu Langfan , Chen Zelin , Chen Jianhua , Gan Yibo , Tan Xu , Wang Yu , Zhang Can , Chen Bing , Dai Jianwu , Chen Jianxin , Shi Chunmeng
Published: November 2023

Biological collagen scaffolds effectively promote the regeneration of abdominal wall defects in Bama miniature pigs with properties of anti-adhesion and anti-inflammation.
Chlorinated polyhedral selenaboranes revisited by joint experimental/computational efforts: the formation of closo-1-SeB9Cl9 and the crystal structure of closo-SeB11Cl11
Authors: Keller Willi , Hofmann Matthias , Wadepohl Hubert , Enders Markus , Fanfrlík Jindřich , Hnyk Drahomír
Published: November 2023

The newly generated closo-1-SeB9Cl9 and the crystal structure of closo-SeB11Cl11 were investigated, the latter due to the presence of a σ-hole on Se, thus forming a strong chalcogen bond.
Polystyrene nanoplastics alter the ecotoxicological effects of diclofenac on freshwater microalgae Scenedesmus obliquus
Authors: Christudoss Abisha Christy , Chandrasekaran Natarajan , Mukherjee Amitava
Published: November 2023

Diclofenac and polystyrene nanoplastics are toxic to algal cells at higher doses. When combined, they have a surprising hormesis effect on toxicity and show significant synergistic effects in higher-dose combinations.
Limited effects of different real groundwaters from three coastal cities in China on the transport of low-concentration nanoplastics in quartz sand
Authors: Liu Yanan , Gu Genyao , Li Guoqing , Kim Hyunjung , Cai Li , Cai Huiwen
Published: November 2023

Nanoplastics (NPs) have been widely detected in soil–groundwater systems.
A simple route to functionalized porous carbon foams from carbon nanodots for metal-free pseudocapacitors
Authors: Wang Chenxiang , Sung Kimberly , Zhu Jason Zi Jie , Qu Sheng , Bao Jiawei , Chang Xueying , Katsuyama Yuto , Yang Zhiyin , Zhang Chonghao , Huang Ailun , Kroes Bradley C. , El-Kady Maher F. , Kaner Richard B.
Published: November 2023

Sulfonyl-capped laser-converted 3D turbostratic carbon foams enable efficient faradaic reactions, resulting in a 157.6 F g−1 supercapacitor that is stable after 15 000 cycles, comparable to state-of-the-art pseudocapacitors and hybrid capacitors.
Evolution of the surface atomic structure of multielement oxide films: curse or blessing?
Authors: Franceschi Giada , Heller Renè , Schmid Michael , Diebold Ulrike , Riva Michele
Published: November 2023

Tracking the alterations in atomic-level surface structures of complex oxide films is a practical approach for achieving ideal film stoichiometries and surface morphologies.
Ultrahigh-quality graphene resonators by liquid-based strain-engineering
Authors: Chen Ding-Rui , Hu I-Fan , Chin Hao-Ting , Yao Yu-Chi , Raman Radha , Hofmann Mario , Liang Chi-Te , Hsieh Ya-Ping
Published: November 2023

Liquid-based tensioning of nanoelectromechanical 2D material resonators yields an unprecedented tunability in resonance frequency. The strain-dependence of the device performance helps elucidate the dominating loss mechanism for future applications.
CVD of MoS2 single layer flakes using Na2MoO4 – impact of oxygen and temperature–time-profile
Authors: Kalt Romana Alice , Arcifa Andrea , Wäckerlin Christian , Stemmer Andreas
Published: November 2023

In-depth investigation of MoS2 flakes synthesized by CVD to derive insights on growth, process parameters, and detachability enabled by water.
Recognition of atomic-level difference in porphyrin dyads for self-sorted supramolecular polymer growth
Authors: Lee Hosoowi , Lee Minhyeong , Hwang Jun Ho , Kim Inhye , Lee Eunji , Jang Woo-Dong
Published: November 2023

Porphyrin dyads (PDMs; M = Zn and Cu) composed of diphenylporphyrin and tetraphenylporphyrin units, designated as DPDMs and TPDMs, respectively, exhibited remarkable differences in the molecular assemblies depending on the coordination metal ion.
Synthesis of the indeno[1,2-b]indole core of janthitrem B
Authors: Fresia Marvin , Dierks Alexandra , Jones Peter G. , Lindel Thomas
Published: November 2023

A novel synthetic route to a trans-fused indeno[1,2-b]indole proceeds via photo-Nazarov cyclization of a 3-acylindole precursor and stereospecific hydride shift at an in situ-formed dioxaphospholane.
Correction: An efficient metal free synthesis of 2-aminobenzothiozoles – a greener approach
Authors: Ganesh Krithika , Sambasivam Ganesh , Gavara Govindarajulu , S Ramraj , Rajendra Gaikwad , Sivashanmugam Karthikeyan
Published: November 2023

Correction for ‘An efficient metal free synthesis of 2-aminobenzothiozoles – a greener approach’ by Krithika Ganesh et al., Org. Biomol. Chem., 2023, 21, 564–568, https://doi.org/10.1039/D2OB01981G.
Synthesis of 3-CF3-4-acyl-substituted quinoline derivatives via a cascade reaction of nitrosoarenes and β-CF3-1,3-enynes
Authors: Li Wenhui , Huang Shuangping , Liu Qiang , Li Xing , Chen Wenwen
Published: November 2023

A tandem strategy for the construction of an array of 3-CF3-4-acyl functionalized quinolines via a sequential formation of C−N, C−O and C−C bonds has been described from nitrosoarenes and β-CF3-1,3-enynes as starting materials.
Autocatalytic photoinduced oxidative dehydrogenation of pyrido[2,3-d]pyrimidin-7(8H)-ones: synthesis of C5–C6 unsaturated systems with concomitant formation of a long-lived radical
Authors: de Rocafiguera Claudi , Lloveras Vega , Vidal-Gancedo José , Teixidó Jordi , Estrada-Tejedor Roger , Borrell José I. , Puig de la Bellacasa Raimon
Published: November 2023

5,6-Dihydropyrido[2,3-d]pyrimidin-7(8H)-ones are readily accessed by a variety of methods and are a good scaffold for the development of biologically active compounds.
Two-dimensional nickel cyano-bridged coordination polymer thermally derived potent electrocatalysts for alkaline hydrogen evolution reaction
Authors: Abdel Naby Manar M. , Zakaria Mohamed B. , El-Bery Haitham M. , Mohamed Gehad G. , El-Khouly Mohamed E.
Published: November 2023

We present a versatile technique for fabricating potent Ni-based nanostructured inorganic electrodes (Ni-O, Ni-S, Ni-Se, Ni-P) using 2D nickel cyanide bridged CPs as a precursor. Ni-P has demonstrated the best HER catalysis and durability among them.
A solely biobased strain sensor with an ultra-precision response via a surface graphitization strategy
Authors: Yang Zhihao , Yuan Ying , Wang Bin , Shen Xiaojun , Wang Xiluan , Yuan Tong-Qi
Published: November 2023

This work introduces a flexible strain sensor with an ultra-precision response made of lignin and sodium alginate and realizes its application in human–computer interaction systems.
High-throughput design of energetic molecules
Authors: Liu Jian , Zhao Shicao , Duan Bowen , He Xudong , Yang Chunming , Pu Xuemei , Zhang Xinben , Xiao Yonghao , Nie Fude , Qian Wen , Li Geng , Zhang Chaoyang
Published: November 2023

High-throughput design of energetic molecules implemented by molecular docking, AI-aided molecular design, an automated computation workflow, a structure−property database, deep learning QSPRs and an easy-to-use platform.
MnO–Co@Pt nanowires encapsulated in N-doped porous carbon derived from MOFs for efficient electrocatalytic methanol oxidation reaction
Authors: Askarov Shokhrukhbek , Ren Yujing , Wang Tong , Yu Yunqi , Khan Salman , Zhang Yaoyuan , Chen Kangcheng , Shi Daxin , Wu Qin , Li Hansheng
Published: November 2023

Schematic illustration for the preparation of the MnO–Co@Pt NPC.
Assessing reservoir performance for geologic carbon sequestration in offshore saline reservoirs
Authors: Koehn Lars , Romans Brian W. , Pollyea Ryan M.
Published: November 2023

Permeability distribution imposes substantial control over CO2 flow path, in situ temperature changes, and fluid pressure propagation in offshore geologic storage of CO2.
Thermosensitive Micelles Gel to Deliver Quercetin Locally for Enhanced Antibreast Cancer Efficacy: An In Vitro Evaluation
Authors: Sun Yanxue , Bai Yun , Liu Silu , Cui Shuxia , Xu Pengcheng
Published: November 2023

Although quercetin is low cytotoxicity to normal human cells, quercetin is effective against the growth of some tumors. Given the poor blood stability in vivo, insolubility, low delivery efficiency, and poor medicinal properties of quercetin, we developed a local drug delivery system comprising quercetin core’s polymer micelles and F127 hydrogel stroma. In vitro evaluation revealed that quercetin core’s polymer micelles have excellent antitumor activity and could inhibit the multiplication of 4T1 breast cancer cells through the apoptosis pathway. Meanwhile, a rheological study revealed that the quercetin core’s micelles gel possessed excellent properties of hydrogel formation and injectability of liquid preparation as a local drug delivery system after the quercetin core’s polymer micelles were loaded into the F127 hydrogel stroma. Our study findings indicated that the drug stability and stable release capacity of quercetin were vastly improved with the composite formulation of the micelles gel. This not only realized drug injectability but also drug storage in the semisolid form, which is a more comfortable and slower drug‐releasing form that will eventually exert a proper therapeutic effect. In conclusion, quercetin micellar hydrogel system has better antitumor activity and excellent hydrogel properties.
Demand response‐based autonomous voltage control for transmission and active distribution networks using modified partially observed Markov decision process model
Authors: Gu Yaru , Huang Xueliang
Published: November 2023

To fully utilize the voltage regulation capacity and interaction characteristics of the Transmission and Distribution (T&D) system, a novel Modified Partially Observed Markov Decision Process (MPOMDP)‐based Reinforcement Learning (RL) scheme for Autonomous Voltage Control is proposed, which incorporates Demand Response (DR) and cooperation with the Transmission Network . The proposed scheme consists of two vital components: an MPOMDP block and a Modified Asynchronous Advantage Actor‐Critic‐based RL block. The MPOMDP block innovatively exploits the confidence interval of the observed state to make a better perception of the precise system state by introducing two new probability vectors. Then the MPOMDP block is fed into the underlying architecture of the RL block for asynchronously capturing features and optimal decision‐making, where the solving framework additionally brings in a public data buffer to realize boundary information sharing. Case studies are conducted on a modified T&D system considering N‐1 contingencies, with a training dataset from a district in Suzhou, China. Simulation results demonstrate that the proposed scheme can achieve significant voltage optimization while ensuring fast convergence speed.
MCAGCN: Multi‐component attention graph convolutional neural network for road travel time prediction
Authors: Zhao Zhihua , Chao Li , Zhang Xue , Xie Nengfu , Zeng Qingtian
Published: November 2023

With the development of intelligent transportation technology, road travel time prediction has become an important research direction. Owing to the complex periodic dependence and non‐linear features of road travel time series, achieving accurate and effective predictions remains a challenging task. Most existing traffic sequence prediction methods lack modelling of the dynamic correlation between multiple period information, resulting in unsatisfactory prediction results. To address this, a multi‐component attention graph convolutional network (MCAGCN) is proposed for road travel time prediction. First, the spatial‐temporal features of three historical components (hourly, daily and weekly) are modelled individually. A skip attention layer is then used to fuse multi‐scale spatial‐temporal features to enhance the model's feature extraction capabilities. Secondly, a component attention layer is proposed to calculate the correlation between different components using the temporal features of the prediction moment, to achieve dynamic modelling between different period information. The experimental results on the Tianchi, METR‐LA, and PeMS‐BAY datasets, which are real‐world traffic forecasting datasets, demonstrate the superiority of MCAGCN.
Frailty in der Notaufnahme
Authors: Krohn Jan-Niklas , Singler Katrin
Published: November 2023

Was ist neu?

Assessment und Risikostratifizierung anhand von Frailty Frailty betrifft ungefähr jeden zweiten über 70-jährigen Patienten in der Notaufnahme. Diese werden mit herkömmlichen Triage-Instrumenten nur unzureichend als Risikopatienten identifiziert. Ein Frailty-Screening verbessert die Identifizierung von Hochrisikopatienten mit erhöhter Hospitalisierungs- und Wiederaufnahmerate, 30-Tage- und Ein-Jahres-Mortalität.

Medizinische Notfallversorgung von Menschen mit Frailty Unspezifische Beschwerden und geriatrische Syndrome sollten als Red Flag erkannt, altersspezifische Besonderheiten der Vitalparameter beachtet werden. Eine ganzheitliche Evaluation sollte bereits in der Notaufnahme durchgeführt werden, da die Fokussierung auf einzelne Probleme nicht zielführend ist. Alle im Screening identifizierten Patienten sollten im Verlauf geriatrisch evaluiert werden.

Patientenzentrierte Versorgung von Menschen mit Frailty Für Patienten mit Frailty steht die Verbesserung des subjektiven Wohlbefindens im Vordergrund. Eine stationäre Aufnahme ist teilweise vermeidbar, auch wenn dies mit gesundheitlichen Risiken verbunden ist. Dies sollte im Rahmen einer partizipativen Entscheidungsfindung mit dem Patienten besprochen werden. Bei fortgeschrittener Frailty entsprechen die Bedürfnisse denen von Palliativpatienten.
Medicare Payment Policy: The Basics
Authors: Findeiss Laura K.
Published: November 2023

The mechanisms of payment for medical services are complicated and create predictable incentives. Physicians can benefit from understanding how hospitals, practices, employers, and payers understand payment, since this has a role in determining how certain patient care services are valued and prioritized. Type of hospital, location of service delivery, and a physician's relationship with the payer or provider entity can greatly impact the value of a physician's work. The landscape of payers is large, but Medicare payment has come to drive the behavior of many private payers. This article will outline the key components of Medicare and how they apply to physicians, hospitals, and ambulatory surgical centers to provide a basic structure for thinking about payment for medical services. This review of the fundamentals of Medicare payment will provide a framework for physicians to understand the financial incentives that underlie clinical and operational decisions in the healthcare system.
Effectiveness of resource management of Lebanese NGOs in response to COVID-19 and the Syrian crisis
Authors: Kabbara Nadia , Ozgit Hale
Published: November 2023

Crises are appearing widely in different regions of the world. The Syrian war was considered one of the largest humanitarian crises where Lebanon hosted many displaced Syrians. Recently, the coronavirus outbreak coincided with a severe socio-political and economic crisis in the country. COVID-19 affected NGOs’ response to the community and refugees. Henceforth, the study examined NGO activities and strategies in response to the Syrian refugee crisis during and after COVID-19 to identify future effective practices. The paper is based on qualitative data. Forty representatives from NGOs in Lebanon participated in semi-structured interviews. They reported on (i) the influence of COVID-19 on NGOs’ activities, (ii) effective strategies for supporting Syrian refugees and the host community, and (iii) evaluation of NGOs’ achievements and failures to provide services for the community during COVID-19. Data disclosed that COVID-19 enhanced the need for different activities to support refugees and the host community but failed to procure funds and get the necessary support from the funding agencies. The paper suggested that both government and donor agencies should enhance support for NGOs during crisis times, with better communication among stakeholders being crucial. A resource dependency theory was developed and supported by stakeholder perspectives. Based on the research findings, implications, and future research suggestions are proposed.
Who’s in and who’s out? Reading stakeholders and priority issues from sustainability reports in Turkey
Authors: Hoştut Sibel , van het Hof Seçil Deren , Aydoğan Hediye , Adalı Gülten
Published: November 2023

This research aims to discover trends regarding stakeholders in sustainability reports. It questions the patterns or trends in addressing stakeholders, based on the assumption that the more a stakeholder is mentioned, the more importance is attached to it. Quantitative content analysis was conducted on a dataset of 179 sustainability reports published between 2004 and 2019 by 26 companies traded in Borsa Istanbul. All stakeholders disclosed in the sustainability reports were coded to create lists and groups, and the changes in stakeholder lists over time were presented. The research identified 102 stakeholders classified into 16 groups. The categorization is a crucial step in the stakeholder identification process as it reveals the hierarchy between stakeholders. By applying a time-series analysis, it was found that companies increasingly valued their employees, making occupational health and safety, diversity and equal opportunity, and talent management as top strategic issues in the Turkish context. This study makes a unique contribution to both the existing stakeholder literature and sustainability reporting within the Turkish context. It offers a pioneering longitudinal analysis of long-term stakeholder representation for listed companies in Turkey, breaking new ground in this area of research.
How do tax reductions motivate technological innovation?
Authors: Yue Ziyang , Yang Gangqiang , Wang Haisen
Published: November 2023

The main approach to promoting high-quality development lies in fostering self-reliance and self-improvement in science and technology, as well as enhancing the technological innovation capabilities of enterprises. In the new stage of moving from imitation to innovation, tax reduction plays an important role in promoting enterprise technological innovation. This article uses the data of A-share listed companies from 2008 to 2019 to explore the mechanism of how tax reduction exerts its core role in innovation. The findings indicate that tax cuts have a stimulating effect on firms’ research and development (R&D) innovation. These results hold true even after accounting for tax evasion and R&D manipulation behaviors. The mechanism analysis reveals that the incentive effects of tax cuts are realized through financing, specialized divisions, and the creation of added value. Notably, the “financing effect” exhibits a path dependence among high-tech enterprises. Furthermore, in terms of tax preferential policies, the “R&D expenses plus deduction” policy demonstrates the most significant incentive effect, while the “15% tax rate preference” is less effective than initially anticipated. However, the combined effect of both policy types proves to be significant in promoting R&D innovation, thereby enhancing the impact of a single-policy approach. Nevertheless, a structural phenomenon regarding the incentive effect on the input and output sides is observed. Through empirical analysis, this paper not only presents fresh ideas for improving tax reduction policies and unleashing the potential of scientific and technological innovation, but also offers essential insights for facilitating technological catch-up and achieving high-quality economic development.
On the localization regime of certain random operators within Hartree–Fock theory
Authors: Matos Rodrigo
Published: November 2023

Localization results for a class of random Schrödinger operators within the Hartree–Fock approximation are proved in two regimes: Large disorder and weak disorder/extreme energies. A large disorder threshold λHF analogous to the threshold λAnd obtained in Schenker [Lett. Math. Phys. 105(1), 1–9 (2015)] is provided. We also show certain stability results for this large disorder threshold by giving examples of distributions for which λHF converges to λAnd, or to a number arbitrarily close to it, as the interaction strength tends to zero.
Self-configuring programmable silicon photonic filter for integrated microwave photonic processors
Authors: Catalá-Lahoz C. , Pérez-López D. , Huy-Ho T. , Capmany J.
Published: November 2023

Reconfigurable photonic filters show great promise as a potential solution to meet the evolving needs of future microwave communication systems. By integrating high-performance filters into programmable microwave photonic processors, they can provide significant benefits for signal processing applications. The development of an algorithm that can automatically characterize and reconfigure the filter using a single optical input and output port is essential for this purpose. This paper presents an optimization technique for a fully tunable ring-assisted Mach–Zehnder interferometer filter. The proposed filter design eliminates the need for monitoring components and employs a novel algorithm that operates independently in each ring by switching between the two arms of the filter. In addition, the filter can be configured to implement different filter architectures, allowing for flexible filtering requirements. Measurements were performed using the device as an interleaver, implementing different types of infinite impulse response filters in the optical and radio frequency domains. Side-coupled integrated spaced sequence of resonator filters were also implemented by reconfiguring the same device. These results demonstrate the exceptional reconfigurability of the filter design proposed herein in terms of bandwidth and central frequency.
Directional verb constructions in Mandarin
Authors: Lin Chien-hung , Chang Jung-hsing
Published: November 2023

In modern Chinese, a Directional Verb Construction (DVC) may contain either two or three verbs. DVCs with two verbs can be represented in three different ways, and DVCs with three verbs can be represented in four different ways. The different positions of the shared internal noun phrase (NP) argument result in divergent word orders of DVCs. Based on the Corpus of the United Daily News, this study discusses the syntax-pragmatic interface in Chinese DVCs within the framework of Role and Reference Grammar (RRG) with the intention of ascertaining how NP arguments are linked to syntax in DVCs, while at the same time accounting for what pragmatic factors play a role in determining constructional schemas for argument linking. The results show that different patterns of DVCs have different focus domains, and that the differential activation state of the internal NP argument plays an essential role in determining word order. Considering the correlation between activation state and focus domain, a highly activated internal NP tends to be linked to the position following the wordbǎor immediately following V1. In contrast, a least activated NP tends to be linked to the position immediately following V2or V3.
Effects of an early start in learning English as a foreign language on reading and listening comprehension in Year
9
Authors: Porsch Raphaela , Schipolowski Stefan , Rjosk Camilla , Sachse Karoline A.
Published: November 2023

For years now, all over Europe a debate has been ongoing concerning the effectiveness of an early start in
learning a foreign language. This paper presents findings from a representative large-scale assessment study from Germany and
seeks to examine the relationship between receptive skills in English as a foreign language (EFL) of students in Year 9 and their
EFL learning onset age. We examined the differences in achievement of early starters – i.e., students who started learning English
either before Year 3 or in Year 3 – in comparison with late starters defined as students instructed in EFL from Year 4 or 5 using
a sample of more than 30,000 students. The results from multilevel regression modelling point to long-term advantages in reading
and listening comprehension for students with an early onset of English instruction in primary school compared to students who
began later. The paper finishes by discussing the results and suggesting further research in this field.
Early innate role for CD8αα+ cells in tuberculosis
Authors: Barber Daniel L.
Published: November 2023

Cell types that mediate early control of Mycobacterium tuberculosis (Mtb) infection are not well understood. Winchell and Nyquist et al. (https://doi.org/10.1084/jem.20230707) show that CD8αα+ lymphocytes have a major role in the innate suppression of Mtb growth in the lungs of macaques.
A novel lidar signal noise reduction algorithm based on improved deep belief network
Authors: Li Shun , Mao Jiandong , Gong Xin , Li Zhiyuan
Published: November 2023

To reduce noise in the lidar return signal, an improved deep belief network (DBN) denoising algorithm is proposed in this study. In the traditional implementation process of DBN, a multi-layer fully connected network is realized by stacking restricted Boltzmann machines (RBMs). However, the RBM is an undirected graph model, and there is no clear causal relationship between random variable nodes. The denoising autoencoder (DAE) can avoid this problem and produce field generalization performance by adding random contamination during training and stacking, thereby achieving better performance than the traditional DBN. In this study, a new multi-layer DBN called DADBN is implemented by stacking DAE and RBM. First, the multi-layer DAE is placed in the beginning layer of the network as the primary filter of the signal to provide data dimensionality reduction and feature extraction. Then, the RBM is used as the lower layer, the hidden layer is calculated according to the initial value of the visible layer by the contrast of the divergence algorithm, and the visible layer is reconstructed from the samples of the hidden layer. And the sparse representation penalty is added to the RBM model to solve the assimilation phenomenon of hidden layer nodes in the RBM model. It not only optimizes the log-likelihood function when training data, but also makes the probability of each hidden layer node being activated tend to a minimum value, so as to sparsely activate the sparse hidden layer nodes. The weight matrix W is obtained by computing the results of the hidden layer twice. Finally, the original input signal was reconstructed by Gibbs sampling layer and the reconstructed signal was decoded by the decoder to achieve the purpose of noise reduction. To verify its effectiveness, this method is compared with four other denoising methods: wavelet packet algorithm, complete ensemble empirical modal decomposition (CEEMDAN), wavelet transform and empirical mode decomposition (WT-EMD), and wavelet transform-variational mode decomposition (WT-VMD). The noise reduction effect of DADBN is better than that of the other four methods, thus effectively eliminating complex noise in the lidar detection signal.
Reentrant phenomenon in the decorated ising model
Authors: Chen Sheng , Wu Yanyi , Lu Junyi , Teng Baohua
Published: November 2023

Based on the transverse-field Ising model, this paper utilizes the theory of correlated effective fields to explore the ferromagnetic phase transition properties of nanoislands with decorated lattice. The findings suggest that the unique phase transition properties of the system are predominantly determined by the surface atoms, while the transverse field and decorating exchange interaction impact the specific details of the phase transition properties. Additionally, the magnetization of each lattice follows a quantitative relationship, in which the magnetization of the decorated lattice is weaker and that of the central lattice is stronger.