bluuebunny/crossref_metadata_2025_split huggingface dataset:
Can meteorological model forecasts initialize hydrological simulations rather than observed data in ungauged basins?
Authors: Ceppi Alessandro , Chaves González Nicolás Andrés , Davolio Silvio , Ravazzani Giovanni 
Published: November 2023

AbstractFloods are among natural disasters which cause the largest damages worldwide each year, inducing fatalities of human lives, destruction of infrastructure and economical losses. Consequently, forecasting this type of events through hydro‐meteorological models is still of great importance from a civil protection point of view since it allows to reduce hydrological risk by means of early warning systems. Nevertheless, hydrological model initialization in ungauged basins, where there is lack of direct measurements of meteorological information, is a known issue affecting the entire prediction chain. The present study evaluates the possibility of using forecasts provided by the meteorological model MOLOCH developed by CNR‐ISAC forcing the FEST‐WB hydrological model developed by Politecnico di Milano to perform discharge simulations assuming that the forecasting errors are negligible when using the first 24 h of time horizon. The study is carried out in the urban catchments of Milan city, the Seveso‐Olona‐Lambro (SOL) river basins, located in northern Italy. The main hydro‐meteorological variables are analysed by comparing the spatialized and observed meteorological data, provided by an official regional network of weather stations plus a citizen scientists' contribution with the meteorological model forecasts. Moreover, a sensitivity analysis following the well‐known one‐factor‐at‐a‐time methodology is accomplished with the aim of defining which atmospheric forcing, beyond rainfall, mostly affects flowrate forecasts. Results generally show satisfactory correspondences between forecasts and observed data for the discharge variable at daily scale, although an underestimation of precipitation, particularly for severe events in summer, is present. Therefore, using meteorological forecasts to create daily initial conditions for hydrological model, instead of ground observations, might be a reliable and valuable approach, even if some considerations should be borne in mind when coupling the two models.
A novel homozygous missense variant in LRP4 causing Cenani‐Lenz syndactyly syndrome and literature review
Authors: Fu Yadong , Zhou Yueyun , Zhang Qing'e , Dong Jingjing , Zheng Jianli , Li Min , Liu Jianbing 
Published: November 2023

AbstractBackgroundCenani‐Lenzsyndactyly syndrome (CLSS; OMIM 212780) is a rare autosomal recessive acral deformity, which is mainly manifested in the fusion of fingers or toes, disordered phalangeal structure, shortening or fusion of the radius and ulna, and renal hypoplasia.Case presentationOur report described an individual with mild phenotypes from China. His parents were not consanguineous. The affected individual was non‐dysmorphic. Standard X‐ray showed that the both hands have only four metacarpal bones. The distal end of the first metacarpal bone on the right was relatively slender, and the distal phalanx was absent. Multiple phalanges and some soft tissues of both hands were fused. Exome sequencing revealed a novel biallelic c.282C⟩Avariant in low‐density lipoprotein receptor‐related protein 4 (LRP4; OMIM604270; NM_002334.4) causing p. (Asn94Lys) change in the encoded protein. This variant is predicted to be potentially pathogenic, affecting protein structure and function.ConclusionWe report a novel missense variant present in homozygosity in LRP4 to broaden the pathogenic spectrum of LRP4 in syndactyly, and exome sequencing technology is a powerful tool for genetic analysis in prenatal diagnosis and medical research, as a preferred method for the diagnosis of syndactyly and related phenotypes.
CIPSI: An open chemical intellectual property service for medicinal chemists
Authors: Martinez‐Sevillano Maria , Falaguera Maria J. , Mestres Jordi 
Published: November 2023

AbstractThe availability of patent chemical data offers public access to a chemical space that is not well covered by other sources collecting small molecules from scholarly literature. However, open applications to facilitate the search and analysis of biologically‐relevant molecular structures present in patents are still largely missing. We have developed CIPSI, an open Chemical Intellectual Property Service @ IMIM to assist medicinal chemists in searching and analysing molecules in SureChEMBL patents. The current version contains 6,240,500 molecules from 236,689 pharmacological patents, of which 5,949,214 are confidently assigned to core chemical structures reminiscent of the Markush structure in the patent claim. The platform includes some graphical tools to facilitate comparative patent analyses between drugs, chemical substructures, and company assignees. CIPSI is available at https://cipsi.org.
Chemical language models for molecular design
Authors: Bajorath Jürgen 
Published: November 2023

AbstractIn drug discovery, chemical language models (CLMs) originating from natural language processing offer new opportunities for molecular design. CLMs have been developed using recurrent neural network (RNN) or transformer architectures. For the predictive performance of RNN‐based encoder‐decoder frameworks and transformers, attention mechanisms play a central role. Among others, emerging application areas for CLMs include constrained generative modeling and the prediction of chemical reactions or drug‐target interactions. Since CLMs are applicable to any compound or target data that can be presented in a sequential format and tokenized, mappings of different types of sequences can be learned. For example, active compounds can be predicted from protein sequence motifs. Novel off‐the‐beat‐path applications can also be considered. For example, analogue series from medicinal chemistry can be perceived and represented as chemical sequences and extended with new compounds using CLMs. Herein, methodological features of CLMs and different applications are discussed.
Integrated Metabolomics and Gut Microbiome Analysis Reveals the Efficacy of a Phytochemical Constituent in the Management of Ulcerative Colitis
Authors: Zhang Kai , Ji Jianbin , Li Nana , Yin Zhaorui , Fan Guanwei 
Published: November 2023

ScopeCinnamaldehyde (CAH), a phytochemical constituent isolated from cinnamon, is gaining attention due to its nutritional and medicinal benefits. This study aimed to investigate the potential role of CAH in the treatment of ulcerative colitis (UC).Methods and ResultsIntegrated metabolomics and gut microbiome analysis are performed for 2,4,6‐trinitrobenzenesulfonic acid (TNBS) induced UC rats. The effect of CAH on colonic inflammation, lipid peroxidation, metabolic profiles, and gut microbiota is systematically explored. It finds that CAH improves the colitis‐related symptoms, decreases disease activity index, increases the colon length and body weight, and alleviates histologic inflammation of UC rats. These therapeutic effects of CAH are due to suppression of inflammation and lipid peroxidation. Moreover, multi‐omics analysis reveals that CAH treatment cause changes in plasma metabolome and gut microbiome in UC rats. CAH regulates lipid metabolic processes, especially phosphatidylcholines, lysophosphatidylcholines, and polyunsaturated fatty acids. Meanwhile, CAH modulates the gut microbial structure by restraining pathogenic bacteria (such as Helicobacter) and increasing probiotic bacteria (such as Bifidobacterium and Lactobacillus).ConclusionsThese results indicate that CAH exerts a beneficial role in UC by synergistic modulating the balance in gut microbiota and the associated metabolites, and highlights the nutritional and medicinal value of CAH in UC management.
Maternal Vitamin D Deficiency in Mice Sex‐Dependently Affects Hepatic Lipid Accumulation in Offspring
Authors: Haroun Nicole , Bennour Imene , Seipelt Eva , Astier Julien , Sani Léa , Tardivel Catherine , Svilar Ljubica , Martin Jean‐Charles , Mounien Lourdes , François Landrier Jean 
Published: November 2023

ScopeVitamin D deficiency (VDD) is becoming a global issue and low 25‐hydroxyvitamin D (25(OH)D) plasma levels have been linked to hepatic steatosis in adulthood. Nevertheless, the impact of maternal VDD on lipid metabolism and hepatic steatosis remains poorly documented, especially under obesogenic condition. The goal of this study is to assess the effects of maternal VDD on hepatic lipid accumulation in adult offspring fed a normal or obesogenic diet.Methods and resultsSeveral approaches are implemented including histology and lipidomics on the liver in both males and females. No major impact of high‐fat (HF) or VDD is observed at histological level in both males and females. Nevertheless, in males born from VDD mice and fed an HF diet, an increase of total lipids and modulation of the relative lipid species distribution characterized by a decrease of triglycerides and increase of phospholipids is observed. In female no major lipid profile is noticed.ConclusionMaternal VDD combined with a HF diet in male may predispose to hepatic hypertrophia, with a specific lipid profile. Such observations reinforce our knowledge of the impact of maternal VDD on hepatic programming in the offspring.
Evaluation of Food Intake Biomarkers for Red Bell Peppers in Human Urine Based on HPLC‐MS/MS Analysis
Authors: Schulz Mareike , Hübner Florian , Humpf Hans‐Ulrich 
Published: November 2023

ScopeThe validation of dietary biomarkers is essential for the use in objective and quantitative assessment of the human dietary intake. In this study, the urinary excretion of previously identified potential biomarkers after intake of red bell peppers is analyzed.Methods and resultsThe urine samples obtained after a two‐phase dietary intervention study in which 14 volunteers participated are quantitatively analyzed by high‐performance liquid chromatography with tandem mass spectrometry (HPLC‐MS/MS) after an extensive validation. In the first phase, the volunteers abstain completely from bell peppers and paprika products (control group) and in the second phase, the volunteers consume a defined amount of fresh red bell peppers (case group). After analysis, all potential biomarkers show high dispersions of their concentration, indicating interindividual differences. The glucuronidated apocarotenoid (compound 1), which probably resulted from the main carotenoids of red Capsicum fruits, shows a rapid urinary excretion. The other glucuronidated metabolites (compounds 2–8), described as potential derivatives of capsianosides from Capsicum, show a slightly delayed but longer urinary excretion.ConclusionsA correlation between an intake of red bell pepper and the urinary excretion of recently described potential biomarkers is observed. Due to large interindividual differences, it is reasonable to assume that at least the qualitative detection of the consumption of bell peppers and possibly all Capsicum fruits is feasible.
In vivo characterization of glycogen storage disease type III in a mouse model using glycoNOE MRI
Authors: Zeng Qing , Machado Michael , Bie Chongxue , van Zijl Peter C. M. , Malvar Sofi , Li Yuguo , D'souza Valentina , Poon Kirsten Achilles , Grimm Andrew , Yadav Nirbhay N. 
Published: November 2023

AbstractPurposeGlycogen storage disease type III (GSD III) is a rare inherited metabolic disease characterized by excessive accumulation of glycogen in liver, skeletal muscle, and heart. Currently, there are no widely available noninvasive methods to assess tissue glycogen levels and disease load. Here, we use glycogen nuclear Overhauser effect (glycoNOE) MRI to quantify hepatic glycogen levels in a mouse model of GSD III.MethodsAgl knockout mice (n = 13) and wild‐type controls (n = 10) were scanned for liver glycogen content using glycoNOE MRI. All mice were fasted for 12 to 16 h before MRI scans. GlycoNOE signal was quantified by fitting the Z‐spectrum using a four‐pool Voigt lineshape model. Next, the fitted direct water saturation pool was removed and glycoNOE signal was estimated from the integral of the residual Z spectrum within −0.6 to −1.4 ppm. Glycogen concentration was also measured ex vivo using a biochemical assay.ResultsGlycoNOE MRI clearly distinguished Agl knockout mice from wild‐type controls, showing a statistically significant difference in glycoNOE signals in the livers across genotypes. There was a linear correlation between glycoNOE signal and glycogen concentration determined by the biochemical assay. The obtained glycoNOE maps of mouse livers also showed higher glycogen levels in Agl knockout mice compared to wild‐type mice.ConclusionGlycoNOE MRI was used successfully as a noninvasive method to detect liver glycogen levels in mice, suggesting the potential of this method to be applied to assess glycogen storage diseases.
Accelerating spiral deblurring with square kernels and low‐pass preconditioning
Authors: Wang Dinghui , Chao Tzu Cheng , Pipe James G. 
Published: November 2023

AbstractPurposeRobust implementation of spiral imaging requires efficient deblurring. A deblurring method was previously proposed to separate and deblur water and fat simultaneously, based on image‐space kernel operations. The goal of this work is to improve the performance of the previous deblurring method using kernels with better properties.MethodsFour types of kernels were formed using different models for the region outside the collected k‐space as well as low‐pass preconditioning (LP). The performances of the kernels were tested and compared with both phantom and volunteer data. Data were also synthesized to evaluate the SNR.ResultsThe proposed “square” kernels are much more compact than the previously used circular kernels. Square kernels have better properties in terms of normalized RMS error, structural similarity index measure, and SNR. The square kernels created by LP demonstrated the best performance of artifact mitigation on phantom data.ConclusionsThe sizes of the blurring kernels and thus the computational cost can be reduced by the proposed square kernels instead of the previous circular ones. Using LP may further enhance the performance.
Adjustment of rotation and saturation effects (AROSE) for CEST imaging
Authors: Jin Tao , Chung Julius Juhyun 
Published: November 2023

AbstractPurposeEndogenous CEST signal usually has low specificity due to contaminations from the magnetization transfer contrast (MTC) and other labile protons with overlapping or close Larmor frequencies. We propose to improve CEST signal specificity with adjustment of rotation and saturation effects (AROSE).MethodsThe AROSE approach measures the difference between CEST signals acquired with the same average irradiation power but largely different duty cycles, for example, a continuous wave or a high duty cycle pulse train versus a low duty cycle pulse train with a flip angle φ. Simulation, phantom, and in vivo rodent studies were performed to evaluate the characteristics of the AROSEφ signal.ResultsSimulation and experimental results show that AROSE2π is a low‐pass filter that can suppress fast exchanging processes (e.g., >3000 s−1), whereas AROSEπ is a band‐pass filter suppressing both fast and slow exchange (e.g., <30 s−1) rates. For other φ angles, the sensitivity and the exchange‐rate filtering effect of AROSEφ falls between AROSEπ and AROSE2π. AROSE can also minimize MTC and improve the Larmor frequency selectivity of the CEST signal. The linewidth of the AROSE1.5π spectrum is about 60% to 65% when compared to the CEST spectrum measured by continuous wave. Depending on the needs of an application, the sensitivity, exchange‐rate filtering, and Larmor frequency selectivity can be adjusted by varying the flip angle, duty cycle, and average irradiation power.ConclusionCompared to conventional CEST signals, AROSE can minimize MTC and improve exchange rate filtering and Larmor frequency specificity.
Evaluation of coaxial dipole antennas as transceiver elements of human head array for ultra‐high field MRI at 9.4T
Authors: Solomakha G. A. , Bosch D. , Glang F. , Scheffler K. , Avdievich N. I. 
Published: November 2023

AbstractPurposeThe aim of this work is to evaluate a new eight‐channel transceiver (TxRx) coaxial dipole array for imaging of the human head at 9.4T developed to improve specific absorption rate (SAR) performance, and provide for a more compact and robust alternative to the state‐of‐the art dipole arrays.MethodsFirst, the geometry of a single coaxial element was optimized to minimize peak SAR and sensitivity to the load variation. Next, a multi‐tissue voxel model was used to numerically simulate a TxRx array coil that consisted of eight coaxial dipoles with the optimal configuration. Finally, we compared the developed array to other human head dipole arrays. Results of numerical simulations were verified on a bench and in the scanner including in vivo measurements on a healthy volunteer.ResultsThe developed eight‐element coaxial dipole TxRx array coil showed up to 1.1times higher SAR‐efficiency than a similar in geometry folded‐end and fractionated dipole array while maintaining whole brain coverage and low sensitivity of the resonance frequency to variation in the head size.ConclusionAs a proof of concept, we developed and constructed a prototype of a 9.4T (400 MHz) human head array consisting of eight TxRx coaxial dipoles. The developed array improved SAR‐efficiency and provided for a more compact and robust alternative to the folded‐end dipole design. To the best of our knowledge, this is the first example of using coaxial dipoles for human head MRI at ultra‐high field.
Dynamic T2* relaxometry of hyperpolarized [1‐13C]pyruvate MRI in the human brain and kidneys
Authors: Liu Xiaoxi , Cui Di , Xu Duan , Bok Robert , Wang Zhen J. , Vigneron Daniel B. , Larson Peder E. Z. , Gordon Jeremy W. 
Published: November 2023

AbstractPurposeThis study aimed to quantify for hyperpolarized [1‐13C]pyruvate and metabolites in the healthy human brain and renal cell carcinoma (RCC) patients at 3 T.MethodsDynamic values were measured with a metabolite‐specific multi‐echo spiral sequence. The dynamic of [1‐13C]pyruvate, [1‐13C]lactate, and 13C‐bicarbonate was estimated in regions of interest in the whole brain, sinus vein, gray matter, and white matter in healthy volunteers, as well as in kidney tumors and the contralateral healthy kidneys in a separate group of RCC patients. was fit using a mono‐exponential function; and metabolism was quantified using pyruvate‐to‐lactate conversion rate maps and lactate‐to‐pyruvate ratio maps, which were compared with and without an estimated correction.ResultsThe of pyruvate was shown to vary during the acquisition, whereas the of lactate and bicarbonate were relatively constant through time and across the organs studied. The of lactate was similar in gray matter (29.75 ± 1.04 ms), white matter (32.89 ± 0.9 ms), healthy kidney (34.61 ± 4.07 ms), and kidney tumor (33.01 ± 2.31 ms); and the of bicarbonate was different between whole‐brain (108.17 ± 14.05 ms) and healthy kidney (58.45 ± 6.63 ms). The of pyruvate had similar trends in both brain and RCC studies, reducing from 75.56 ± 2.23 ms to 22.24 ± 1.24 ms in the brain and reducing from 122.72 ± 9.86 ms to 57.38 ± 7.65 ms in the kidneys.ConclusionMulti‐echo dynamic imaging can quantify and metabolism in a single integrated acquisition. Clear differences were observed in the of metabolites and in their behavior throughout the timecourse.
Use of social media as a source of health information among patients with chronic low back pain
Authors: Taik Fatima Zahrae , Bensaid Rajaa , Adnine Anass , Mansouri Noema El , Aharrane Fatima Zahra , Amar Amine , Fourtassi Maryam , Abourazzak Fatima Ezzahra 
Published: November 2023

AbstractObjectiveTo evaluate the use of social media (SM) as a source of health information among patients with chronic low back pain (LBP) and to evaluate the factors associated with this use.MethodsThis was a cross‐sectional study involving patients with chronic LBP. Information on their sociodemographics, LBP characteristics, and comorbidities was collected. With the use of a questionnaire, we evaluated the use of SM as a source of information, examining the frequency of use, the type of SM used, and degree of confidence and application of information found. Catastrophising, trust in physicians, and concerns regarding medicines were assessed through the Pain Catastrophizing Scale (PCS), Trust in Physician Scale (TPS) and Beliefs about Medicines Questionnaire (BMQ Specific Concerns). A regression analysis was conducted to identify factors associated with the use of SM.ResultsA total of 118 patients were included. The mean age was 53.01 ± 14.09 years. Of the sample, 68.6% sought information regarding their LBP on social networks. The main source was YouTube (30%). Eighteen point six percent of patients trusted the information found through SM, and 16.1% have already acted on some of this information. The majority of patients (82%) would prefer to have healthcare professionals in their virtual spaces to answer their questions. In a multivariate analysis, only the degree of trust in the physician was negatively associated with SM use (OR = 0.95 IC 95% [0.91–0.99]; p = 0.03).ConclusionThis survey showed that a proportion of patients suffering from chronic LBP use SM, YouTube in particular, as a source of health information. The level of trust in physicians was the strongest factor that impelled people to use SM as a source of health information.
Iteration acceleration methods for solving three‐temperature heat conduction equations on distorted meshes
Authors: Yu Yunlong , Chen Xingding , Yao Yanzhong 
Published: November 2023

AbstractThis article focuses on designing efficient iteration algorithms for nonequilibrium three‐temperature heat conduction equations, which are used to formulate the radiative energy transport problem. Based on the framework of relaxation iteration, we design a new accelerated iteration algorithm by reasonable approximation of the Jacobi matrix, according to the characteristics of the discrete scheme for the three‐temperature equations. Adopting the iteration framework, we analyze the advantages and disadvantages of several iteration algorithms commonly used in practice and the new iteration algorithm. Finally, we compare the new iteration algorithm with some other iteration algorithms by solving several nonlinear models, and show that the new algorithm can achieve significant acceleration effect.
Novel adaptive filter design for complex‐valued network systems under hybrid cyber attacks
Authors: Dai Xinqiang , Lu Hongqian , Zhou Wuneng 
Published: November 2023

AbstractThis paper is concerned with the problem of designing adaptive event‐triggered filter for complex‐valued network system under complex‐valued hybrid cyber attack. Firstly, the main contribution of the article is to propose a complex‐valued adaptive event triggered strategy to improve the resource utilisation in the network channel. Secondly, during the modeling process of the filtering error model, we introduce complex‐valued stochastic deception attacks and replay attacks that follow the Bernoulli distribution, thereby forming the complex‐valued hybrid network attacks investigated in this paper. Sufficient conditions for the asymptotic stability of the designed complex‐valued filtered error system are derived using Lyapunov stability theory. In addition, the parameters of the filter are derived using the linear matrix inequality (LMI) method. Finally, a numerical simulation example is given to verify the feasibility of the proposed method.