bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis and cytotoxicity evaluation of novel 1,8-acridinedione derivatives bearing phthalimide moiety as potential antitumor agents
Authors: Khatab Hassan A. , Hammad Sherif F. , El‐Fakharany Esmail M. , Hashem Ahmed I. , El-Helw Eman A. E.
Published: September 2023

In this study, we aimed to develop hybrid antitumor compounds by synthesizing and characterizing novel N-substituted acrididine-1,8-dione derivatives, designed as hybrids of phthalimide and acridine-1,8-diones. We employed a three-step synthetic strategy and characterized all compounds using IR, 1H NMR, 13C NMR, and LC–MS. The cytotoxicity and antitumor activity of five compounds (8c, 8f, 8h, 8i, and 8L) against four cancer cell lines (H460, A431, A549, and MDA-MB-231) compared to human skin fibroblast cells were evaluated. Among the synthesized compounds, compound 8f showed promising activity against skin and lung cancers, with favorable IC50 values and selectivity index. The relative changes in mRNA expression levels of four key genes (p53, TOP2B, p38, and EGFR) in A431 cells treated with the five synthesized compounds (8c, 8f, 8h, 8i, and 8L) were also investigated. Additionally, molecular docking studies revealed that compound 8f exhibited high binding affinity with TOP2B, p38, p53, and EGFR, suggesting its potential as a targeted anticancer therapy. The results obtained indicate that N-substituted acrididine-1,8-dione derivatives have the potential to be developed as novel antitumor agents with a dual mechanism of action, and compound 8f is a promising candidate for further investigation.
Ni-rich mineral nepouite explains the exceptional green color of speleothems
Authors: Vlieghe Martin , Rochez Gaëtan , Pire-Stevenne Stéphane , Storme Jean-Yves , Dekoninck Augustin , Vanbrabant Yves , Namur Olivier , Zhang Yishen , Van Ham-Meert Alicia , Donnadieu Jean-Pierre , Berbigé Michel , Hasbroucq Jean-Luc , Yans Johan
Published: September 2023

Speleothems are secondary mineral structures typically found in karstic caves and usually composed of calcite or aragonite. Despite being naturally white, some might exhibit unusual colors, such as blue, black, red, yellow or green. The causes of these exceptional colorations are poorly understood, especially for green speleothems, which are barely reported. Here we describe the occurrence of the green Ni-bearing serpentine nepouite in green aragonite and calcite speleothems, in the Aven du Marcou (Hérault, France). Nepouite is mainly found as flat lamellar crystals in the outer rim of green speleothems and crystallized alongside radially grown aragonite crystals. This supports nepouite beginning to crystallize recently, due to a change in the chemical composition of the water. Nepouite also exhibits extensive substitution between Ni, Mg and Zn. The various elements responsible for nepouite precipitation are thought to come from the weathering of pyrite crystals in the overlying rocks, which is consistent with the pH conditions of the cave and the Al-free composition of nepouite. This study explains the crystallization mechanisms and stability conditions of silicate minerals in colored caves.
Increased expression of HPV-E7 oncoprotein correlates with a reduced level of pRb proteins via high viral load in cervical cancer
Authors: Mir Bilal Ahmad , Ahmad Arif , Farooq Nighat , Priya M. Vishnu , Siddiqui A. H. , Asif M. , Manzoor Rouquia , Ishqi Hassan Mubarak , Alomar Suliman Y. , Rahaman P. F.
Published: September 2023

Human Papillomavirus (HPV) is the most common cause of sexually transmitted diseases and causes a wide range of pathologies including cervical carcinoma. Integration of the HR-HPV DNA into the host genome plays a crucial role in cervical carcinoma. An alteration of the pRb pathways by the E7 proteins is one of the mechanisms that’s account for the transforming capacity of high-risk papillomavirus. For the proper understanding of the underline mechanism of the progression of the disease, the present study investigate the correlation of concentration of host pRb protein, viral E7 oncoprotein and viral load in early and advanced stages of cervical carcinoma. It was found that the viral load in early stages (stage I and II) was less (log10 transformed mean value 2.6 and 3.0) compared to advanced stages (stage III and IV) (Log10 transformed value 5.0 and 5.8) having high expression of HPV E7 onco-protein and reduced level of pRb protein, signifying the role of viral load and expression level of E7 oncoprotein in the progression of cervical cancer.
Utilization of biosynthesized silver nanoparticles from Agaricus bisporus extract for food safety application: synthesis, characterization, antimicrobial efficacy, and toxicological assessment
Authors: Amr Maryam , Abu-Hussien Samah H. , Ismail Radwa , Aboubakr Asmaa , Wael Rahma , Yasser Mariam , Hemdan Bahaa , El-Sayed Salwa M. , Bakry Ashraf , Ebeed Naglaa M. , Elhariry Hesham , Galal Ahmed , Abd-Elhalim Basma T.
Published: September 2023

The emergence of antimicrobial resistance in foodborne bacterial pathogens has raised significant concerns in the food industry. This study explores the antimicrobial potential of biosynthesized silver nanoparticles (AgNPs) derived from Agaricus bisporus (Mushroom) against foodborne bacterial pathogens. The biosynthesized AgNPs were characterized using various techniques, including UV–visible spectroscopy, X-ray diffraction, Fourier transform infrared spectroscopy, high-resolution scanning electron microscopy with energy dispersive X-ray spectroscopy, dynamic light scattering, and zeta potential analysis. The antibacterial activity of the AgNPs was tested against a panel of foodborne bacterial strains, and their cytotoxicity was evaluated on normal human skin fibroblasts. Among the tested strains, Pseudomonas aeruginosa ATCC 27853 showed the highest sensitivity with an inhibition zone diameter (IZD) of 48 mm, while Klebsiella quasipneumoniae ATTC 700603 and Bacillus cereus ATCC 11778 displayed the highest resistance with IZDs of 20 mm. The silver cations released by AgNPs demonstrated strong bactericidal effects against both Gram-positive (G + ve) and Gram-negative (G − ve) bacteria, as evidenced by the minimum inhibitory concentration/minimum bactericidal concentration (MBC/MIC) ratio. Moreover, cytotoxicity testing on normal human skin fibroblasts (HSF) indicated that AgNPs derived from the mushroom extract were safe, with a cell viability of 98.2%. Therefore, AgNPs hold promise as an alternative means to inhibit biofilm formation in the food industry sector.
Sociodemographic correlates of discrimination against PLHIV in High HIV prevalence states of India, NFHS 2016–21
Authors: Singh Shri Kant , Shri Neha
Published: September 2023

This study investigates the socio-demographic correlates of HIV discrimination among individuals aged 15–49 years. This study also aims to assess the change in discriminatory attitudes towards PLHIV in high HIV prevalence states from 2016 to 2021 using data from the national Demographic Health Survey (4th and 5th). To identify factors associated with discriminatory attitudes, a multivariable logistic regression analysis was performed. Further, predicted probabilities and average marginal effects were computed, and the difference in discriminatory attitudes across both rounds was examined using a non-linear Fairlie decomposition. Mass media exposure, improved wealth index, and comprehensive knowledge significantly reduced the discriminatory attitudes towards PLHIV. Fairlie decomposition indicated that comprehensive knowledge, knowledge of mother-to-child transmission, and mass media exposure was significant contributor to the differences observed in the discriminatory attitude towards PLHIV across survey rounds. This study emphasizes the importance of spreading accurate information about HIV transmission modes and reinforces existing programmes and policies aimed at reducing stigma and discrimination against PLHIV. These programmes' efficiency and effectiveness can be ensured by linking them with community-level programmes and activities organized by Self Help Groups (SHGs), which have resulted in a paradigm shift in empowering women in India.
Resolving experimental biases in the interpretation of diffusion experiments with a user-friendly numerical reactive transport approach
Authors: Tournassat Christophe , Steefel Carl I. , Fox Patricia M. , Tinnacher Ruth M.
Published: September 2023

The reactive transport code CrunchClay was used to derive effective diffusion coefficients (De), clay porosities (ε), and adsorption distribution coefficients (KD) from through-diffusion data while considering accurately the influence of unavoidable experimental biases on the estimation of these diffusion parameters. These effects include the presence of filters holding the solid sample in place, the variations in concentration gradients across the diffusion cell due to sampling events, the impact of tubing/dead volumes on the estimation of diffusive fluxes and sample porosity, and the effects of O-ring-filter setups on the delivery of solutions to the clay packing. Doing so, the direct modeling of the measurements of (radio)tracer concentrations in reservoirs is more accurate than that of data converted directly into diffusive fluxes. While the above-mentioned effects have already been described individually in the literature, a consistent modeling approach addressing all these issues at the same time has never been described nor made easily available to the community. A graphical user interface, CrunchEase, was created, which supports the user by automating the creation of input files, the running of simulations, and the extraction and comparison of data and simulation results. While a classical model considering an effective diffusion coefficient, a porosity and a solid/solution distribution coefficient (De–ε–KD) may be implemented in any reactive transport code, the development of CrunchEase makes it easy to apply by experimentalists without a background in reactive transport modeling. CrunchEase makes it also possible to transition more easily from a De–ε–KD modeling approach to a state-of-the-art process-based understanding modeling approach using the full capabilities of CrunchClay, which include surface complexation modeling and a multi-porosity description of the clay packing with charged diffuse layers.
Spatial distribution characteristics and causes of public sports venues in China
Authors: Zhang Yueting , Yi Ming Yikeranmu , Shi Bing
Published: September 2023

Public sports venues serve as a crucial material medium for human athletic activities. Research on their spatial distribution holds profound implications for optimizing spatial layout and promoting human sports endeavors. This paper takes interest points of sports venues in China as research samples, employing GIS spatial analysis tools, mathematical statistics, and Geo-detector as research methods. It systematically investigates the spatial distribution characteristics and causes of sports venues in China, aiming to provide insights and references for the optimization of spatial arrangement, sustainable development, and relevant policy formulation of sports venues in the country. The results indicate that: (1) In terms of overall distribution characteristics, sports venues in China present a multi-centric agglomeration in geographical space. (2) From a regional distribution perspective, the spatial layout of these venues reveals a pattern of “more in the south, less in the north,” “dense in the southeast, sparse in the northwest,” and a coastal strip distribution. (3) Regarding spatial correlation, the hot and cold spot partitions of sports venues largely align with the “Hu-Line”, with their spatial distribution tending towards a positively correlated pattern of high–high clustering and low–low clustering. (4) There is evident heterogeneity in factors affecting sports venues’ spatial distribution. The distribution results from the interactive coupling of multiple factors, where the interaction between any two factors offers stronger explanatory power for the spatial layout of the venues.
Monitoring the impacts of crop residue cover on agricultural productivity and soil chemical and physical characteristics
Authors: Kazemi Garajeh Mohammad , Hassangholizadeh Keyvan , Bakhshi Lomer Amir Reza , Ranjbari Amin , Ebadi Ladan , Sadeghnejad Mostafa
Published: September 2023

To the best of our knowledge, the impacts of crop residue cover (CRC) on agricultural productivity and soil fertility have not been studied by previous researchers. In this regard, this study aims to apply an integrated approach of remote sensing and geospatial analysis to detect CRC and monitor the effects of CRC on agricultural productivity, as well as soil chemical and physical characteristics. To achieve this, a series of Landsat images and 275 ground control points (GCPs) collected from the study areas for the years 2013, 2015, and 2021 were used. A convolutional neural network (CNN), a class of artificial neural network has commonly applied to analyze visual imagery, was employed in this study for CRC detection in two classes (Not-CRC and CRC) for the years 2013, 2015, and 2021. To assess the effects of CRC, the Normalized Difference Vegetation Index (NDVI) was applied to Landsat image series for the years 2015 (22 images), 2019 (20 images), and 2022 (23 images). Furthermore, this study evaluates the impacts of CRC on soil fertility based on collected field observation data. The results show a high performance (Accuracy of > 0.95) of the CNN for CRC detection and mapping. The findings also reveal positive effects of CRC on agricultural productivity, indicating an increase in vegetation density by about 0.1909 and 0.1377 for study areas 1 and 2, respectively, from 2015 to 2022. The results also indicate an increase in soil chemical and physical characteristics, including EC, PH, Na, Mg, HCO3, K, silt, sand, and clay from 2015 to 2022, based on physical examination. In general, the findings underscore that the value of an integrated approach of remote sensing and geospatial analysis for detecting CRC and monitoring its impacts on agricultural productivity and soil fertility. This research can offer valuable insight to researchers and decision-makers in the field of soil science, land management and agriculture.
A mathematical investigation of polyaneuploid cancer cell memory and cross-resistance in state-structured cancer populations
Authors: Bukkuri Anuraag , Pienta Kenneth J. , Austin Robert H. , Hammarlund Emma U. , Amend Sarah R. , Brown Joel S.
Published: September 2023

The polyaneuploid cancer cell (PACC) state promotes cancer lethality by contributing to survival in extreme conditions and metastasis. Recent experimental evidence suggests that post-therapy PACC-derived recurrent populations display cross-resistance to classes of therapies with independent mechanisms of action. We hypothesize that this can occur through PACC memory, whereby cancer cells that have undergone a polyaneuploid transition (PAT) reenter the PACC state more quickly or have higher levels of innate resistance. In this paper, we build on our prior mathematical models of the eco-evolutionary dynamics of cells in the 2N+ and PACC states to investigate these two hypotheses. We show that although an increase in innate resistance is more effective at promoting cross-resistance, this trend can also be produced via PACC memory. We also find that resensitization of cells that acquire increased innate resistance through the PAT have a considerable impact on eco-evolutionary dynamics and extinction probabilities. This study, though theoretical in nature, can help inspire future experimentation to tease apart hypotheses surrounding how cross-resistance in structured cancer populations arises.
Newly deceased Caribbean reef-building corals experience rapid carbonate loss and colonization by endolithic organisms
Authors: Medellín-Maldonado Francisco , Cruz-Ortega Israel , Pérez-Cervantes Esmeralda , Norzogaray-López Orion , Carricart-Ganivet Juan P. , López-Pérez Andrés , Alvarez-Filip Lorenzo
Published: September 2023

Coral mortality triggers the loss of carbonates fixed within coral skeletons, compromising the reef matrix. Here, we estimate rates of carbonate loss in newly deceased colonies of four Caribbean reef-building corals. We use samples from living and recently deceased colonies following a stony coral tissue loss disease (SCTLD) outbreak. Optical densitometry and porosity analyses reveal a loss of up to 40% of the calcium carbonate (CaCO3) content in dead colonies. The metabolic activity of the endolithic organisms colonizing the dead skeletons is likely partially responsible for the observed dissolution. To test for the consequences of mass mortality events over larger spatial scales, we integrate our estimates of carbonate loss with field data of the composition and size structure of coral communities. The dissolution rate depends on the relative abundance of coral species and the structural properties of their skeletons, yet we estimate an average reduction of 1.33 kg CaCO3 m−2, nearly 7% of the total amount of CaCO3 sequestered in the entire system. Our findings highlight the importance of including biological and chemical processes of CaCO3 dissolution in reef carbonate budgets, particularly as the impacts of global warming, ocean acidification, and disease likely enhance dissolution processes.
Formation of choline salts and dipolar ions for CO2 reactive eutectic solvents
Authors: Dikki Ruth , Cagli Eda , Penley Drace , Karayilan Metin , Gurkan Burcu
Published: September 2023

Proton sharing among the constituents of the eutectic solvents demonstrates tunable uptake and microwave-assisted absorption–desorption recyclability for CO2 capture.
Stereo- and regiocontrol in intermolecular [2+2] cycloadditions between diarylketenes and allenamides to access substituted α-methylenecyclobutanones
Authors: Kshirsagar Akshay Suresh , More Sayaji Arjun , Liu Rai-Shung
Published: September 2023

The development of intermolecular [2+2] cycloadditions between allenamides and diarylketenes is described.
Advances in copper cobaltate-based nanomaterial electrodes for supercapacitor applications
Authors: Guo Zengpeng , He Lizhong , Wang Gexi , Li Mengbin
Published: September 2023

This review mainly focused on the latest achievements in the application of copper cobaltate-based nanomaterials as supercapacitor electrodes.
Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO
Authors: Li Ying-Yu , Jin Guan-Yu , Wang Zhi-Qiang , Hu Cong , Wang Xue-Dong , Liu Jian-Ming , Liu Min , Han Hong-Liang , Li Zhong-Feng , Jin Qiong-Hua
Published: September 2023

Rare earth complexes based on Keggin-type polyoxometalate for photocatalytic degradation of MO. The degradation rate reached more than 95% within 15 min.
Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination
Authors: Kusumoto Sotaro , Atoini Youssef , Koide Yoshihiro , Hayami Shinya , Kim Yang , Harrowfield Jack , Thuéry Pierre
Published: September 2023

Four mixed-ligand uranyl ion complexes with anionic and zwitterionic carboxylates illustrate different modes of association of these ligands and give some clues about their respective donor strength.
Low-pressure and nascent yields of stabilized Criegee intermediates CH2OO and CH3CHOO in ozonolysis of propene
Authors: Yang Lei , Campos-Pineda Mixtli , Hatem Katia , Zhang Jingsong
Published: September 2023

The nascent yields of stabilized Criegee intermediates (sCIs), both formaldehyde oxide and acetaldehyde oxide, produced from ozonolysis of propene were measured using cavity ringdown spectroscopy and chemical titration with excess sulfur dioxide.
n-Type doping of BiVO4 with different F-doped concentrations for improving the electronic character of BiVO4 as a photoanode nanomaterial for solar water splitting: a first-principles study
Authors: Zhao Yongze , Li Xinxia , Tang Xinyuan , Liang Xuefeng , He Yan , Li Huifang
Published: September 2023

n-Type doping effects, shifting CBM far away from the Fermi level, were observed, and there is a linear relationship between the energy level shifts and the total charge transfer amounts from doped F atoms to other atoms.
First-principles study of the temperature-induced band renormalization in thermoelectric filled skutterudites
Authors: Ning Jinyan , Lei Wenxin , Yang Jiong , Xi Jinyang
Published: September 2023

The band gap in BaCo4Sb12 drops, slowing down compared with that of CoSb3, where it is considerably reduced for BaFe4Sb12 and YbFe4Sb12.
Bi2Te2Se and Sb2Te3 heterostructure based photodetectors with high responsivity and broadband photoresponse: experimental and theoretical analysis
Authors: Verma Sandeep Kumar , Sharma Sanjay , Maurya Gyanendra Kumar , Gautam Vidushi , Singh Roshani , Singh Ajeet , Kandpal Kavindra , Kumar Pramod , Kumar Arun , Wiemer Claudia
Published: September 2023

Topological insulators have emerged as one of the most promising candidates for the fabrication of novel electronic and optoelectronic devices due to the unique properties of nontrivial Dirac cones on the surface and a narrow bandgap in the bulk.
A quantum chemical study: thoughtful exploration for optimal donors in Y-type dual donor-based dye sensitizers
Authors: Behera Anil Kumar , Sahu Preeti Nanda , Sahu Ganesh Chandra , Sen Anik
Published: September 2023

This research explores the influence of different dual donors in a Y-type geometry on the effectiveness of dye sensitizers.
Artificial intelligence aided recognition and classification of DNA nucleotides using MoS2 nanochannels
Authors: Mittal Sneha , Manna Souvik , Jena Milan Kumar , Pathak Biswarup
Published: September 2023

Artificially intelligent MoS2 nanochannel technology for high throughput recognition and classification of DNA nucleotides.
Element similarity in high-dimensional materials representations
Authors: Onwuli Anthony , Hegde Ashish V. , Nguyen Kevin V. T. , Butler Keith T. , Walsh Aron
Published: September 2023

Elements can be represented as vectors in a high-dimensional chemical space. We explore the distance and correlation between these vectors for different machine learning models.
Using GPT-4 in parameter selection of polymer informatics: improving predictive accuracy amidst data scarcity and ‘Ugly Duckling’ dilemma
Authors: Hatakeyama-Sato Kan , Watanabe Seigo , Yamane Naoki , Igarashi Yasuhiko , Oyaizu Kenichi
Published: September 2023

Data scarcity in materials informatics hinders structure–property relationships. Using GPT-4 can address challenges, improving predictions like polymer refractive indices.
Borylation of phenols using sulfuryl fluoride activation
Authors: Chen Zhengjun , Liu Yan , Zeng Chunhua , Ren Changyue , Li Hongyu , Jagadeesh Rajenahally V. , Yuan Zeli , Li Xinmin
Published: September 2023

Pd-catalyzed borylation of phenols via SO2F2 activation is presented for the synthesis of aryl/heteroaryl boronic esters, selected drug molecules and natural product derivatives as well as a novel boronate-based fluorescent probe HTCPB.
Tough tetrazine-functionalized styrene–butadiene rubber with self-adhesion through zinc–nitrogen coordination
Authors: Kotani Kyohei , Tsunoda Katsuhiko , Otsuka Hideyuki
Published: September 2023

This paper reports a feasible system for the direct adhesion of cross-linked rubbers, by incorporating tetrazine ligands into a styrene–butadiene rubber followed by the addition of zinc dimethacrylate with the aim of forming reversible cross-links.
Study of the mechanisms of the phonon bottleneck effect in CdSe/CdS core/shell quantum dots and nanoplatelets and their application in hot carrier multi-junction solar cells
Authors: Zhang Yi , Xiang Wenbin , Wang Rui , Zhang Jiayu , Conibeer Gavin
Published: September 2023

This work quantitatively elucidates the phonon bottleneck effect mechanisms in CdSe/CdS QDs and NPLs via thermalization coefficient (Qth) for the first time, significantly simplifying the candidate estimation of hot carrier multijunction solar cells.
Dual-functional CeOx fence promoting Au nanocatalyst for CO oxidation under wide working conditions
Authors: Chen Jie , Huang Jianhui , Zeng Jianpeng , Zheng Fengying , Li Shunxing
Published: September 2023

A dual-functional CeOx fence was constructed by an auto-redox strategy to simultaneously stabilize Au NPs and improve the oxygen activation of an Au catalyst for CO oxidation with superior activity and stability.
Capture and characterization of elusive cyclo-di-BADGE
Authors: Salami Fatemeh , Lin Jian-bin , Chen Bing , Zhang Baiyu , Zhao Yuming
Published: September 2023

Cyclo-di-BADGE, a by-product of the co-polymerization of bisphenol A and BADGE, was clearly characterized by single-crystal XRD analysis along with comprehensive studies of its conformational, intermolecular aggregation, and protein binding properties.
A 3D lead chloride hybrid exhibits self-trapped emission and exceptional stability
Authors: Lassoued Mohamed Saber , Luo Qian-Cheng , Zheng Yan-Zhen
Published: September 2023

A new 3D lead chloride hybrid, (H2MPP)2Pb5Cl14, has been isolated. (H2MPP)2Pb5Cl14 exhibits broadband emission with a large Stokes shift and a high color rendering index (CRI), which is mainly attributed to the self-trapped exciton mechanism (STE).
Development of subtype-selective estrogen receptor modulators using the bis(4-hydroxyphenyl)silanol core as a stable isostere of bis(4-hydroxyphenyl)methanol
Authors: Matsumoto Yuichiro , Hashimoto Yuichi , Fujii Shinya
Published: September 2023

By using a bis(4-hydroxyphenyl)silanol framework as a stable isostere of bis(4-hydroxyphenyl)methanol, we developed novel and characteristic estrogen receptor (ER) modulators exhibiting antagonist activity toward ERα and agonist activity toward ERβ.
Synthesis and investigation of the morphological, optical, electrical and dielectric characteristics of a disodium cobalt orthogermanate
Authors: Ben Yahya Sourour , Barillé Regis , Louati Bassem
Published: September 2023

A sodium cobalt germanate material (Na2CoGeO4) was synthesized and studied.
Topological phases in nanoparticle monolayers: can crystalline, hexatic, and isotropic-fluid phases coexist in the same monolayer?
Authors: Bhattacharjee Kaustav , Vaidya Salil S. , Pathak Tushar , Shimpi Jayesh R. , Prasad Bhagavatula L. V.
Published: September 2023

Topological phases are stable configurations of matter in 2-dimension formed via spontaneous symmetry breaking. We show that due to local deviation in particle size, different topological phases can coexist in a self-assembled nanoparticle monolayer.
Chiral photonic crystals from sphere packing
Authors: Liu Tao , Chan Ho-Kei , Wan Duanduan
Published: September 2023

Inspired by recent developments in self-assembled chiral nanostructures, we have explored the possibility of using spherical particles packed in cylinders as building blocks for chiral photonic crystals.
Emulsifying properties of plant-derived polypeptide and their conjugates: a self-consistent-field calculation study of the impact of hydrolysis
Authors: Ding Yue , Zengin Adem , Cheng Weiwei , Wang Libo , Ettelaie Rammile
Published: September 2023

By considering the hydrolysates of soy protein produced by trypsin as an example, the emulsion stabilizing properties of plant-based protein fragments, and their conjugates with polysaccharides, have been investigated theoretically.
Reticular chemistry within three-dimensional covalent organic frameworks for multiple applications
Authors: Wang Xiaokang , Gao Fei , Kang Zixi , Fan Weidong , Sun Daofeng
Published: September 2023

This review summarizes the advances in rational design and synthesis of 3D COFs guided by reticular chemistry and briefly discusses recent progress in gas storage and separation, catalysis, fluorescence, batteries, conductivity, and drug delivery.
Machine learning for hours-ahead forecasts of urban air concentrations of oxides of nitrogen from univariate data exploiting trend attributes
Authors: Wood David A.
Published: September 2023

The extraction of multiple attributes from past hours in univariate trends of hourly oxides of nitrogen (NOx) recorded at ground-level sites substantially improves NOx hourly forecasts for at least four hours ahead without exogenous-variable inputs.
Adaptive bistable stochastic resonance based blind watermark extraction in discrete cosine transform domain
Authors: Liu Jin , Li Zan , Miao Qiguang , Qi Peihan , Wang Danyang
Published: September 2023

Blind watermark extraction in discrete cosine transform (DCT) domain has a wide application prospect as well as a challenging subject. The imperceptibility of watermark signal makes watermark extraction a weak signal reception issue in essence. For DCT coefficients of host image generally disobey Gaussian distribution, at which the performance of linear correlated reception is no longer optimal. Aiming at this, a novel blind watermark extraction scheme combining the uncorrelated reception with adaptive bistable stochastic resonance (ABSR) technique is proposed. First, by block DCT transformation for host image, an additive watermark embedding algorithm is introduced, in which the watermarked image can be converted to one dimensional time domain weak signal (binary watermark image) reception under additive Laplacian noise (selected DCT coefficients). On this basis, through the key technology research on quantitatively cooperative resonance relationship under Laplacian noise, the ABSR system can be implemented by bistable system parameters self‐adaptive adjustment, in which the ABSR system output signal will be enhanced rather than be weakened by random noise. Finally, the ABSR‐based watermark extraction scheme is investigated, and both the visual effect, bit error ratio performance and robustness of proposed scheme are testified to be superior to that of traditional uncorrelated extraction.
Proximal linearized alternating direction method of multipliers algorithm for nonconvex image restoration with impulse noise
Authors: Tang Yuchao , Deng Shirong , Peng Jigen , Zeng Tieyong
Published: September 2023

Image restoration with impulse noise is an important task in image processing. Taking into account the statistical distribution of impulse noise, the ℓ1‐norm data fidelity and total variation () model has been widely used in this area. However, the model usually performs worse when the noise level is high. To overcome this drawback, several nonconvex models have been proposed. In this paper, an efficient iterative algorithm is proposed to solve nonconvex models arising in impulse noise. Compared to existing algorithms, the proposed algorithm is a completely explicit algorithm in which every subproblem has a closed‐form solution. The key idea is to transform the original nonconvex models into an equivalent constrained minimization problem with two separable objective functions, where one is differentiable but nonconvex. As a consequence, the proximal linearized alternating direction method of multipliers is employed to solve it. Extensive numerical experiments are presented to demonstrate the efficiency and effectiveness of the proposed algorithm.
The evolution and impact of ∼3000 M⊙ stars in the early Universe
Authors: Nandal D. , Farrell E. , Buldgen G. , Meynet G. , Ekström S.
Published: September 2023

We present evolutionary models of massive, accreting population III stars with constant and variable accretion rates until the end of silicon burning, with final masses of ~ 1000–3000 M⊙. In all our models, after the core-hydrogen-burning phase, the star expands towards the red side of the Hertzsprung-Russell diagram is where it spends the rest of its evolution. During core helium burning, the models exhibit an outer convective envelope as well as many large intermediate convective zones. These intermediate zones allow for strong internal mixing to occur which enriches the surface in helium. The effect of increasing metallicity at a constant accretion rate of 10−3 M⊙yr−1 shows an increase in the lifetime, final mass and distribution of helium in the envelope. Our fiducial model with mass of 3000 M⊙ has a final surface helium abundance of 0.74 and 9% of its total mass or 50% of the core mass, has a value of Γ1 < 4/3 at the end of core silicon burning. If the collapse of the core is accompanied by the ejection of the envelope above the carbon-oxygen core, this could have a significant impact on the chemical evolution of the surroundings and subsequent stellar generations. The model has a final log(N/O) ≈ 0.45, above the lower limit in the recently detected high-redshift galaxy GN-z11. We discuss the impact of a single 3000 M⊙ star on chemical, mechanical and radiative feedback, and present directions for future work.
Maximum weight t-sparse set problem on vector-weighted graphs
Authors: Lin Yuquan , Lin Wensong
Published: September 2023

Let t be a nonnegative integer and G = (V(G),E(G)) be a graph. For v ∈ V(G), let NG(v) = {u ∈ V(G) \ {v} : uv ∈ E(G)}. And for S ⊆ V(G), we define dS(G; v) = |NG(v) ∩ S| for v ∈ S and dS(G; v) = −1 for v ∈ V(G) \ S. A subset S ⊆ V(G) is called a t-sparse set of G if the maximum degree of the induced subgraph G[S] does not exceed t. In particular, a 0-sparse set is precisely an independent set. A vector-weighted graph $ (G,\vec{w},t)$ is a graph G with a vector weight function $ \vec{w}:V(G)\to {\mathbb{R}}^{t+2}$, where $ \vec{w}(v)=(w(v;-1),w(v;0),\dots,w(v;t))$ for each v ∈ V(G). The weight of a t-sparse set S in $ (G,\vec{w},t)$ is defined as $ \vec{w}(S,G)={\sum }_v w(v;{d}_S(G;v))$. And a t-sparse set S is a maximum weight t-sparse set of $ (G,\vec{w},t)$ if there is no t-sparse set of larger weight in $ (G,\vec{w},t)$. In this paper, we propose the maximum weight t-sparse set problem on vector-weighted graphs, which is to find a maximum weight t-sparse set of $ (G,\vec{w},t)$. We design a dynamic programming algorithm to find a maximum weight t-sparse set of an outerplane graph $ (G,\vec{w},t)$ which takes O((t + 2)4n) time, where n = |V(G)|. Moreover, we give a polynomial-time algorithm for this problem on graphs with bounded treewidth.
New Systemic Therapy Strategies for HER2-Positive Metastatic Breast Carcinoma
Authors: Banys-Paluchowski Maggie
Published: September 2023

HER2 positivity is predictive of the response to anti-HER2 therapies. The treatment of HER2-positive tumors is continuously improving through the development of new anti-HER2-directed agents. Many different anti-HER2 therapies are now available which belong to the classes of anti-HER2 antibodies, tyrosine kinase inhibitors (TKI) and antibody-drug conjugates (ADC). A combination of trastuzumab, pertuzumab and a taxane (THP) remains the preferred first-line (1L) therapy, whereas T‑DXd is the new standard for 2L metastatic breast cancer based on a highly significant improvement in progression-free survival compared to T-DM1 as shown in the DESTINY-Breast03 study. A tucatinib-based regimen (dual anti-HER2 therapy with trastuzumab and tucatinib plus capecitabine) is the preferred 3L option, which may already be used for 2L treatment in patients with active brain metastases. Different anti-HER2 therapies are available in the 3L setting and beyond. Molecular biomarkers in addition to the quantification of HER2 expression, such as the PD‑L1 status and PIK3CA mutations, can further guide the decision-making process in the future.
Erfolgreich die Hürden nehmen – Der Weg zum Präventionskursangebot – von Krankenkassen bezuschusst
Authors: Aschoff Frank
Published: September 2023

Mehr Bewegung, gesunde Ernährung, Stressmanagement und Suchtbekämpfung sind zentrale Ansatzpunkte der Prävention. Etliche Neuerungen in den letzten Jahren stellen Hürden für Physiotherapeut*innen auf – aber das Plus an Möglichkeiten überwiegt. Wie kann man jetzt durchstarten?
Fortschrittlich – Advanced Physiotherapy Practitioners im Kantonsspital Winterthur
Authors: de Groot Quintin
Published: September 2023

Seit fünf Jahren übernehmen Physiotherapeut*innen im Kantonsspital Winterthur mehr ärztliche Aufgaben, beispielsweise die Kniesprechstunde vor und nach Kreuzband-OPs. Die Verantwortlichen geben einen Einblick darin, was sich bisher bewährt, wo sich Hürden bei der Implementierung ergeben und was sich daraus für zukünftige Projekte ableiten lässt.
Current Imaging Strategies in Patients with Abdominal Aortic Aneurysms
Authors: Ristow Inka , Riedel Christoph , Lenz Alexander , Well Lennart , Adam Gerhard , Panuccio Giuseppe , Kölbel Tilo , Bannas Peter
Published: September 2023

Background An abdominal aortic aneurysm (AAA) is defined as a localized dilatation of the abdominal aorta of ≥ 3 cm. With a prevalence of 4–8 %, AAA is one of the most common vascular diseases in Western society. Radiological imaging is an elementary component in the diagnosis, monitoring, and treatment planning of AAA patients.

Method This is a narrative review article on preoperative imaging strategies of AAA, incorporating expert opinions based on the current literature and standard-of-care practices from our own center. Examples are provided to illustrate clinical cases from our institution.

Results and Conclusion Radiological imaging plays a pivotal role in the initial diagnosis and monitoring of patients with AAA. Ultrasound is the mainstay imaging modality for AAA screening and surveillance. Contrast-enhanced CT angiography is currently considered the gold standard for preoperative imaging and image-based treatment planning in AAA repair. New non-contrast MR angiography techniques are robustly applicable and allow precise determination of aortic diameters, which is of critical importance, particularly with regard to current diameter-based surgical treatment guidelines. 3D imaging with multiplanar reformation and automatic centerline positioning enables more accurate assessment of the maximum aortic diameter. Modern imaging techniques such as 4D flow MRI have the potential to further improve individualized risk stratification in patients with AAA.

Key points:
Forensic Diagnostics of the Skeletal Age in the Living – Backgrounds and Methodology
Authors: Wittschieber Daniel , Hahnemann Maria Luise , Mentzel Hans-Joachim
Published: September 2023

Background The expert opinions on forensic age diagnostics requested by state institutions are used to show the exceeding of legally relevant age thresholds, especially the completed 18th year of life. According to the recommendations of the Study Group on Forensic Age Diagnostics (AGFAD), this requires – among other things – a determination of skeletal age.

Method Considering recent scientific knowledge, the current conditions and established skeletal age diagnostics methods are presented. Additionally, this review article sheds light on the influence of ethnicity and socioeconomic status, questions regarding indication, as well as alternative and future developments.

Results and Conclusion In forensic age diagnostics, particularly hand radiography and thin-slice CT of the medial clavicular epiphysis are relevant for determining skeletal age. The Atlas method of Greulich and Pyle (1959) and the clavicular stages by Schmeling et al. (2004) and Kellinghaus et al. (2010) are primarily used for this. This spectrum of methods, which is based on a very solid database, might be supplemented by MRI studies of the knee joint in the near future.

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Citation Format
Langzeitergebnisse des orthogeriatrischen Co-Managements: eine Literaturübersicht
Authors: Eiter Andrea , Kellerer Jan Daniel
Published: September 2023

Fragilitätsfrakturen der Hüfte sind einer der größten Auslöser für schlechte Gesundheitsergebnisse von älteren Personen. Sie führen häufig zu Einschränkungen der Selbstversorgungsfähigkeit, und die Mortalität ist weiterhin hoch. Das orthogeriatrische Co-Management kann die Resultate dieser Hochrisikopopulation möglicherweise verbessern. Der Einfluss auf Langzeitergebnisse ist jedoch noch nicht abschließend geklärt. Ziel war es, den Einfluss des orthogeriatrischen Co-Managements auf die Mortalitätsrate und die Selbstversorgungsfähigkeit, gemessen am Barthel-Index, 1 Jahr nach einer Hüftfraktur bei Personen ≥ 60 Jahre darzustellen.

Eine systematische Literaturrecherche wurde entsprechend den Prozessschritten Identifikation, Selektion und Bewertung durchgeführt, wobei die Datenbanken MEDLINE, CINAHL Complete und Cochrane Library im Zeitraum von Februar bis März 2022 systematisch durchsucht wurden. Eingeschlossen wurden englisch- und deutschsprachige Artikel, die im Zeitraum von 2012 bis 2022 publiziert wurden. Letztlich konnten 12 Studien inkludiert werden.

In 6 Studien wurde eine statistisch signifikante Reduzierung der 1-Jahres-Mortalitätsrate aufgezeigt. In nur 1 von 4 Studien, welche die Selbstversorgungsfähigkeit evaluierten, konnte auf einer spezialisierten Abteilung eine signifikante Verbesserung festgehalten werden.

Das orthogeriatrische Co-Management scheint dazu beizutragen, die 1-Jahres-Mortalität und die Selbstversorgungsfähigkeit positiv zu beeinflussen. Die Implementierung dieser Versorgungsform ist angesichts der heterogenen Studienresultate allerdings nur eingeschränkt zu empfehlen.
Early Hyperglycemia Is Associated with Increased Incidence of Severe Retinopathy of Prematurity in Extremely Low Birth Weight Infants
Authors: Esmail Jihan , Sakaria Rishika P. , Dhanireddy Ramasubbareddy
Published: September 2023

Objective Preterm infants have a higher rate of hypoglycemia and hyperglycemia, both of which have been associated with increased neonatal morbidities. The aim of this study was to evaluate the incidence of abnormal glucose homeostasis during the first 72 hours of life and study its association with major morbidities in infants admitted to our neonatal intensive care unit (NICU).

Study Design This was a retrospective single-center study. We extracted demographic, maternal, and patient information and blood glucose levels for the first 72 hours of life for all infants with birth weight ≤1,000 g admitted to the NICU from January 2017 to December 2019. Continuous data were presented as mean ± standard deviation or as median with interquartile range. Categorical data were presented as frequency and percentage. Student's t-tests and Mann–Whitney U test were used to analyze continuous data and chi-squared test or Fisher's exact test were used to analyze categorical data. Logistic regression analysis was performed to study the relation between hyperglycemia and various morbidities after controlling for gestational age (GA). Statistical significance was set at p < 0.05.

Results Of the 235 infants included in the study, 49% were hypoglycemic at admission to the NICU. Infants that were small for GA and those with history of maternal β-blocker use had a higher incidence of hypoglycemia. Hypoglycemia at admission was not associated with increased mortality or any major morbidities. Seventy-three percent infants who were hypoglycemic or euglycemic at birth developed iatrogenic hyperglycemia during the first 72 hours of life. The incidence of retinopathy of prematurity (ROP) and severe ROP was higher in infants with hyperglycemia on univariate analysis. However, on multivariate analysis, after adjusting for GA, no difference was noted in the incidence of ROP between the two groups. Multivariate analysis could not be performed for severe ROP due to inadequate sample size.

Conclusion Hyperglycemia in the initial 3 days of life is associated with an increased incidence of severe ROP in preterm infants. Neonatologists should aim to maintain euglycemia in these infants to decrease the risk of adverse outcomes.

Key Points
A machine learning-based choledocholithiasis prediction tool to improve ERCP decision making: a proof-of-concept study
Authors: Steinway Steven N. , Tang Bohao , Caffo Brian S. , Akshintala Venkata S. , Telezing Jeremy , Ashok Aditya , Kamal Ayesha , Yu Chung Yao , Jagtap Nitin , Buxbaum James L. , Elmunzer Joseph , Wani Sachin B. , Khashab Mouen A.
Published: September 2023

Background Previous studies demonstrated limited accuracy of existing guidelines for predicting choledocholithiasis, leading to overutilization of endoscopic retrograde cholangiopancreatography (ERCP). More accurate stratification may improve patient selection for ERCP and allow use of lower-risk modalities.

Methods A machine learning model was developed using patient information from two published cohort studies that evaluated performance of guidelines in predicting choledocholithiasis. Prediction models were developed using the gradient boosting model (GBM) machine learning method. GBM performance was evaluated using 10-fold cross-validation and area under the receiver operating characteristic curve (AUC). Important predictors of choledocholithiasis were identified based on relative importance in the GBM.

Results 1378 patients (mean age 43.3 years; 61.2% female) were included in the GBM and 59.4% had choledocholithiasis. Eight variables were identified as predictors of choledocholithiasis. The GBM had accuracy of 71.5% (SD 2.5%) (AUC 0.79 [SD 0.06]) and performed better than the 2019 American Society for Gastrointestinal Endoscopy (ASGE) guidelines (accuracy 62.4% [SD 2.6%]; AUC 0.63 [SD 0.03]) and European Society of Gastrointestinal Endoscopy (ESGE) guidelines (accuracy 62.8% [SD 2.6%]; AUC 0.67 [SD 0.02]). The GBM correctly categorized 22% of patients directed to unnecessary ERCP by ASGE guidelines, and appropriately recommended as the next management step 48% of ERCPs incorrectly rejected by ESGE guidelines.

Conclusions A machine learning-based tool was created, providing real-time, personalized, objective probability of choledocholithiasis and ERCP recommendations. This more accurately directed ERCP use than existing ASGE and ESGE guidelines, and has the potential to reduce morbidity associated with ERCP or missed choledocholithiasis.
Endoscopic resection of large anastomotic polyps is safe and effective
Authors: Cronin Oliver , Gupta Sunil , Gauci Julia , Whitfield Anthony , O'Sullivan Timothy , Abuarisha Muhammad , Wang Hunter , Lee Eric Yong Tat , Williams Stephen J , Burgess Nicholas Graeme , Bourke Michael J.
Published: September 2023

Background Large (≥20mm) adenomatous anastomotic polyps (LAAPs) are uncommon. Data pertaining to their prevalence, characteristics, and the efficacy of endoscopic resection (ER) are absent. A safe and effective strategy for ER would reduce morbidity and healthcare costs.

Methods Large nonpedunculated colorectal polyps of ≥20mm (LNPCPs)
referred for ER were prospectively studied. Multiple data points were recorded including
anastomotic location, polyp morphology, resection modality, complications, and technical
success.

Results Over 7 years until November 2022, 2629 lesions were referred.
Of these, 10 (0.4%) were LAAPs (median size 35 mm [interquartile range (IQR) 30–40mm]). All
LAAPs were removed by piecemeal endoscopic mucosal resection (EMR), most (n=9; 90%) in
combination with cold-forceps avulsion with adjuvant snare-tip soft coagulation (CAST). On
comparison of the LAAP group with the conventional LNPCP group, CAST was more commonly used
(90% vs. 9%; P<0.001) and deep mural injury (DMI) type II was
more frequent (40% vs. 11%, P=0.003); however, significant DMI
(III–V) did not occur. At 6 month (IQR 5.25–6 months) surveillance, there was no recurrence in
any of the 10 cases. There were no serious adverse events.

Conclusions LAAPs present unique challenges owing to their location
overlying an anastomosis. Despite these challenges they can be safely and effectively managed
endoscopically without recurrence at endoscopic follow-up.