bluuebunny/crossref_metadata_2025_split huggingface dataset:
Use of serial changes in biomarkers vs. baseline levels to predict left ventricular remodelling after STEMI
Authors: Klingenberg Roland , Holtkamp Franziska , Grün Dimitri , Frey Anna , Jahns Valérie , Jahns Roland , Gassenmaier Tobias , Hamm Christian W. , Frantz Stefan , Keller Till 
Published: October 2022

AbstractAimsCellular communication network factor 1 (CCN1) is an independent predictor of MACE after ACS and elevated levels correlated with infarct size after STEMI. We compared the prognostic accuracy of baseline levels of CCN1, NT‐proBNP, hsTnT, and ST2 and changes in levels over time to predict the development of structural and functional alterations typical of LV remodelling.MethodsSerial 3‐T cMRI scans were performed to determine LVEF, LVEDV, LVESV, infarct size, and relative infarct size, which were correlated with serial measurements of the four biomarkers. The prognostic significance of these biomarkers was assessed by multiple logistic regression analysis by examining their performance in predicting dichotomized cardiac MRI values 12 months after STEMI based on their median. For each biomarker three models were created using baseline (BL), the Δ value (BL to 6 months), and the two values together as predictors. All models were adjusted for age and renal function. Receiver operator curves were plotted with area under the curve (AUC) to discriminate the prognostic accuracy of individual biomarkers for MRI‐based structural or functional changes.ResultsA total of 44 predominantly male patients (88.6%) from the ETiCS (Etiology, Titre‐Course, and Survival) study were identified at a mean age of 55.5 ± 11.5 (SD) years treated by successful percutaneous coronary intervention (97.7%) at a rate of 95.5% stent implantation within a median pain‐to‐balloon time of 260 min (IQR 124–591). Biomarkers hsTnT and ST2 were identified as strong predictors (AUC > 0.7) of LVEDV and LVEF. BL measurement to predict LVEF [hsTnT: AUC 0.870 (95% CI: 0.756–0.983), ST2: AUC 0.763 (95% CI: 0.615–0.911)] and the Δ value BL‐6M [hsTnT: AUC 0.870 (95% CI: 0.756–0.983), ST2: AUC 0.809 (95% CI: 0.679–0.939)] showed a high prognostic value without a significant difference for the comparison of the BL model vs. the Δ‐value model (BL‐6M) for hsTnT (P = 1) and ST2 (P = 0.304). The combined model that included baseline and Δ value as predictors was not able to improve the ability to predict LVEF [hsTnT: AUC 0.891 (0.791–0.992), P = 0.444; ST2: AUC 0.778 (0.638–0.918), P = 0.799]. Baseline levels of CCN1 were closely associated with LVEDV at 12 months [AUC 0.708 (95% CI: 0.551–0.865)] and infarct size [AUC 0.703 (95% CI: 0.534–0.872)].ConclusionsBaseline biomarker levels of hsTnT and ST2 were the strongest predictors of LVEF and LVEDV at 12 months after STEMI. The association of CCN1 with LVEDV and infarct size warrants further study into the underlying pathophysiology of this novel biomarker.
In‐situ Synthesis of Gallium‐Containing SAPO‐11 Molecular Sieves and Superior Catalytic Performance of Their NiWS Supported Catalysts for Hydroisomerization of n‐Hexadecane
Authors: Dai Xiaojun , Li Ling , Cheng Yan , Yu Wanjin , Liu Wucan , Yang Han , Si Meng , Wei Qiang , Zhou Yasong 
Published: October 2022

AbstractIn order to prepare a high‐performance SAPO‐11 (silicoaluminophosphate‐11) based non‐noble metal supported catalyst for the hydroisomerization of long‐chain n‐alkanes, gallium‐modified SAPO‐11 molecular sieve was successfully synthesized by the in‐situ synthesis method, and the NiWS supported catalyst was prepared for the hydroisomerization of n‐hexadecane. The effects of Ga‐modification on the physicochemical properties of SAPO‐11 molecular sieve, the active phase properties, and the catalytic performance of the catalyst were studied. Through a series of physicochemical characterizations, it was found that the introduction of Ga increased the mesoporous volume of SAPO‐11 molecular sieve, reduced their acid density and strength, but improved the amount of medium‐strong Brønsted acid. The Ga‐modification weakened the interaction between the active metals and the support, increased the sulfidation degree of active metals, and increased the stacking number and dispersion of active phase. The results of catalytic performance evaluation showed that the catalytic activity and isomerization selectivity of the Ga‐modified SAPO‐11 molecular sieve based catalysts were improved, and the yield of i‐hexadecane of NiW/2Ga‐SAPO‐11 was the highest, which was 40.30 % higher than that of NiW/SAPO‐11. By analyzing the distribution of isomeric products, it was found that the Ga‐modified SAPO‐11 molecular sieve was helpful in improving the hydroisomerization depth of n‐hexadecane over the catalyst.
The Journey to Fluorescent Bullvalenes: Pitfalls and Prospects
Authors: Dohmen Christoph , Ihmels Heiko , Paululat Thomas 
Published: October 2022

AbstractA dinaphthoylmethyl‐substituted bullvalene derivative is presented that exhibits excimer fluorescence. It is demonstrated that the fluxional bullvalene core supports the excimer formation of the aroyl substituents, thus offering the opportunity to monitor externally induced structural changes by fluorescence spectroscopy, as exemplarily shown by fluorimetric analysis of host‐guest interactions of the diaroylbullvalene with metal cations, which lead to significant changes of the excimer emission. During the synthesis of the bullvalenes, it was discovered coincidentally that the corresponding triplet‐sensitized photoreaction also yielded three unknown lumibullvalene isomers. The NMR‐spectroscopic analysis of this reaction revealed a sequence and combination of different di‐ and tri‐π‐methane rearrangements and sigmatropic rearrangements. More importantly, the static lumibullvalenes proved useful as reference compounds for the evaluation of the emission properties of the fluxional bullvalenes.
Photochemical Radical Cation Cycloadditions of Aryl Vinyl Ethers
Authors: Adachi Sota , Horiguchi Genki , Kamiya Hidehiro , Okada Yohei 
Published: October 2022

AbstractRadical cation cycloadditions have long been known as unique reactions and yet are intensively studied chemical transformations in the field of modern synthetic organic chemistry. The key to developing new reactions of this class is the generation and control of highly reactive radical cation intermediates. Herein, we report TiO2 photochemical [2+2] and [4+2] cycloadditions using aryl vinyl ethers as radical cation precursors. The constructions of various four‐ and six‐membered rings are made possible by these radical cation cycloadditions. Although detailed mechanistic aspects remain unclear, 2,3‐dimethyl‐1,3‐butadiene (3) is found to be more radicalophilic than 2‐ethyl‐1‐butene (2) and effectively traps the radical cation of the aryl vinyl ethers to construct six‐membered rings.
Impact of sampling time on the detection of mutations in rapidly proliferating tissues using transgenic rodent gene mutation models: A review
Authors: Douglas George R. , Beevers Carol , Gollapudi Bhaskar , Keig‐Shevlin Zena , Kirkland David , O'Brien Jason M. , van Benthem Jan , Yauk Carole L. , Young Robert R. , Marchetti Francesco 
Published: October 2022

AbstractThe OECD Test Guideline 488 (TG 488) for the Transgenic Rodent Gene Mutation Assay has undergone several revisions to update the recommended design for studying mutations in somatic tissues and male germ cells. The recently revised TG recommends a single sampling time of 28 days following 28 days of exposure (i.e., 28 + 28 days) for all tissues, irrespective of proliferation rates. An alternative design (i.e., 28 + 3 days) is appropriate when germ cell data is not required, nor considered. While the 28 + 28 days design is clearly preferable for slowly proliferating somatic tissues and germ cells, there is still uncertainty about the impact of extending the sampling time to 28 days for rapidly somatic tissues. Here, we searched the available literature for evidence supporting the applicability and utility of the 28 + 28 days design for rapidly proliferating tissues. A total of 79 tests were identified. When directly comparing results from both designs in the same study, there was no evidence that the 28 + 28 days regimen resulted in a qualitatively different outcome from the 28 + 3 days design. Studies with a diverse range of agents that employed only a 28 + 28 days protocol provide further evidence that this design is appropriate for rapidly proliferating tissues. Benchmark dose analyses demonstrate high quantitative concordance between the 28 + 3 and 28 + 28 days designs for rapidly proliferating tissues. Accordingly, our review confirms that the 28 + 28 days design is appropriate to assess mutagenicity in both slowly and rapidly proliferating somatic tissues, and germ cells, and provides further support for the recommended design in the recently adopted TG 488.
3D figure of epilepsy syndromes
Authors: Nabbout Rima , Kuchenbuch Mathieu , Tinuper Paolo , Cross J. Helen , Wirrell Elaine 
Published: October 2022

AbstractWe propose an instructive figure that summarized the classification of epilepsy syndromes according to the 2022 report of the ILAE Task Force on Nosology and Definitions. Our aim is to present on the same figure different concepts such as the names of epilepsy syndromes, their extreme and classical ages of onset, their epilepsy types (generalized, focal, or generalized and focal) but also their membership in groups of epilepsy syndromes as for self‐limited or developmental and epileptic encephalopathies. With this figure, we provide an interactive tool, as supplementary data, helping to present this classification and link it to electro‐clinical mandatory, alerts, and exclusionary criteria of each syndrome, in accordance with the ILAE position papers on syndromes classification and nosology. This report may be used as an illustrative tool for teaching epilepsy syndromes and as a practical and comprehensive aid for the classification of epilepsy individuals' syndromes.
River channel response to invasive plant treatment across the American Southwest
Authors: Wieting Celeste , Friedman Jonathan M. , Rathburn Sara 
Published: October 2022

AbstractInvasive riparian plants were introduced to the American Southwest in the early 19th century and contributed to regional trends of decreasing river channel width and migration rate in the 20th century. More recently, efforts to remove invasive riparian vegetation (IRV) have been widespread, especially since 1990. To what extent has IRV treatment reversed the earlier trend of channel narrowing and reduced dynamism? In this study, paired treated and untreated reaches at 15 sites along 13 rivers were compared before and after IRV treatment using repeat aerial imagery to assess long‐term (~10‐year) channel change due to treatment on a regional scale across the Southwest USA. We found that IRV treatment significantly increased channel width and floodplain destruction. Treated reaches had higher floodplain destruction than untreated reaches at 14 of 15 sites, and IRV treatment increased the rate of floodplain destruction by a median factor of 1.9. The effect of treatment increased with the stream power of the largest flow over the study period. Resolving observations of channel change into separate measures of floodplain destruction and formation provided more information on underlying processes than simple measurements of channel width and centerline migration rate. Restoration practitioners who perform IRV treatment projects often focus on wildlife or vegetation response; however, geomorphic processes should be considered in restoration planning because they drive aquatic habitat and vegetation dynamics, and because of the potential for damage to downstream infrastructure. Depending on the restoration goal, management practices can be used to enhance or minimize the increase in channel dynamism caused by IRV treatment.
Functional and physiochemical properties of the yoghurt modified by heat lactosylation and microbial transglutaminase cross‐linking of milk proteins
Authors: Nanakali Narin Muhammadamin , Muhammad Al‐saadi Jasim , Sulaiman Hadi Chnar 
Published: October 2022

AbstractThis study aimed to recognize the effect of Maillard reaction (MR) on the functional properties of milk proteins and the physiochemical, textural, and sensory properties of yoghurt. Heating at 100°C for 2 h increased the carbohydrate ratio in caseins, whey proteins, and total milk proteins from 2.83%, 1.93%, and 1.8% to 4.15%, 3.58%, and 5.32%, respectively. Solubility of the lactosylated caseins, whey proteins, and total milk proteins is increased at low pH values compared to that of the control caseins, whey proteins, and total milk proteins. Lactosylation at 70 and 100°C increased the emulsion activity index (EAI) of caseins at all pH values, especially at pH below 6, and this increment was higher for casein samples treated at 100°C. Foam volume of whey proteins and total milk proteins also increased for samples lactosylated at 100°C compared to control samples. The combination of heating and microbial transglutaminase (MTGase) had a synergistic and enhancing effect on the pH values of yoghurt samples, especially in yoghurt samples produced by whole milk protein compared to control samples. Viscosity and hardness of yoghurt samples were enhanced by heat lactosylation, MTGase treatment, and also storage for 21 days at 7 ± 1°C.
Inhibition of H1N1 by Picochlorum sp. 122 via AKT and p53 signaling pathways
Authors: Chen Danyang , Ning Zhihui , Su Jingyao , Zheng Ruilin , Liu Xia , Wu Hua‐lian , Zhu Bing , Li Yinghua 
Published: October 2022

AbstractInfluenza viruses cause a severe threat to global health, which can lead to annual epidemics and cause pandemics occasionally. However, the number of anti‐influenza therapeutic agents is very limited. Polysaccharides, extracted from Picochlorum sp. (PPE), seaweed Polysaccharides, have exhibited antiviral activity and were expected to be used for influenza treatment. In our research, the capability of PPE to inhibit H1N1 infection was proved in MDCK cells. PPE could make MDCK cells avoid being infected with H1N1 and inhibited nuclear fragmentation and condensation of chromatin. PPE evidently inhibited the generation of reactive oxygen species in MDCK cells. Mechanism study revealed that PPE prevented MDCK cells from H1N1 infection through induction of apoptosis by stimulating AKT signaling pathway and suppressing p‐p53 signaling pathway. In conclusion, PPE turns out to act as a prospective antiviral drug for H1N1 influenza.
A case of hypogonadtropic hypogonadism due to hypophysitis discovered by secondary male infertility
Authors: Konishi Masatoshi , Maegawa Yoko , Tani Masaru , Asakura Toshihisa , Hayashi Yujiro , Kakuta Yoichi , Tsutahara Koichi , Komori Kazuhiko , Takao Tetsuya 
Published: October 2022

IntroductionThe main causes of secondary male infertility are varicocele and aging. It is rarely caused by adult‐onset hypopituitarism. The onset of hypopituitarism is often due to brain tumors, trauma, surgery, or congenital disorders.Case presentationA 29‐year‐old man was admitted to the hospital with complaints of decreased libido and semen volume, which lasted for 4 months. He had no abnormalities in adolescence and has a 2‐year‐old child. Blood tests showed low luteinizing hormone and follicle‐stimulating hormone, and semen tests showed azoospermia. Magnetic resonance imaging T1‐weighted images showed swelling and enhancement effect of the pituitary gland, and lymphocytic hypophysitis was suspected. After an Insulin‐thyroid‐stimulating hormone releasing hormone‐luteinizing hormone‐releasing hormone test, a decrease in luteinizing hormone/follicle‐stimulating hormone secretion was considered. We diagnosed hypogonadotropic hypogonadism due to lymphocytic hypophysitis. Currently, the patient is being treated with a hormone replacement therapy.ConclusionWe experienced a case of hypogonadotropic hypogonadism due to lymphocytic hypophysitis discovered by secondary infertility.
Maternal self‐efficacy development from pregnancy to 3 months after birth
Authors: Samdan Gizem , Reinelt Tilman , Kiel Natalie , Mathes Birgit , Pauen Sabina 
Published: October 2022

AbstractThe present study uses a prospective longitudinal study design to investigate the development of maternal self‐efficacy in the transition phase to parenthood, drawing on a large sample of socially and/or culturally disadvantaged families (N = 292). Parity, maternal education, migration, informal and formal social support are considered as potential predictors. Results indicate that previous birth experience, being born abroad, and higher levels of formal and informal social support during pregnancy jointly predict higher levels of maternal self‐efficacy three months after birth. First‐time mothers and mothers born in Germany (where the study was conducted) benefit more from formal support than mothers with previous experience and mothers born outside of Germany. Overall, maternal self‐efficacy increases significantly. Implications for prenatal maternal care are discussed.
Development of forage maize yield–water functions by applying simultaneous different levels of irrigation and treated municipal wastewater
Authors: Abbasi Pedram , Babazadeh Hossein , Yargholi Bahman , Bakhoda Hossein 
Published: October 2022

AbstractThe aim of this study is to develop forage maize yield–water functions by applying different levels of irrigation and treated municipal wastewater. This research was conducted during May–August (2019 and 2020) in the field of the Marvdasht municipal wastewater treatment plant in a completely randomized block design with 12 treatments, 3 replications and 2 factors: (a) management of traditional deficit irrigation at 4 levels (full irrigation [FI] [100% irrigation requirement]) and deficit irrigation at 40, 60 and 80% levels of water requirement); (b) use of wastewater at 3 levels (wastewater [WW], one‐to‐one mixture of well water and wastewater [50/50], and well water [W]). Statistical models of evaluation were used to develop and evaluate yield–water functions and relative reduction in yield versus relative reduction in water consumption. The results of statistical evaluation of yield–water functions in three growth stages showed the relative advantage of yield–water functions of leaves in the vegetative stage, yield–water functions of stems in the flowering stage and yield–water functions of total dry matter in the grain‐ripening stage compared to other functions. The yield response factor (Ky) for total dry matter in the three stages of vegetative, flowering and ripening were 0.38, 0.52 and 0.63, respectively, and it was found that the most susceptible stage of maize growth to water deficiency was in the stage of grain ripening. Analysis of the interactive effect showed that the highest values of total dry matter yield in the vegetative and flowering stages, and grain yield in the ripening stage were 7260, 9857 and 3158 kg ha‾¹ in the WW‐FI treatment (full irrigation with wastewater), while the lowest levels of yield were 5052, 6069 and 1508 kg ha‾¹in the W‐DI60 treatment (60% deficit irrigation with well water). The results showed that the use of wastewater in traditional deficit irrigation conditions is beneficial for forage maize, so it can be recommended.
Physiologically based pharmacokinetic modeling and simulation of cannabinoids in human plasma and tissues
Authors: Liu Yitong , Sprando Robert L. 
Published: October 2022

AbstractThere has been an increased public interest in developing consumer products containing nonintoxicating cannabinoids, such as cannabidiol (CBD) and cannabigerol (CBG). At the present time, there is limited information available on the pharmacokinetics of cannabinoids in humans. Since pharmacokinetic profiles are important in understanding the pharmacological and toxicological effects at the target sites, physiologically based pharmacokinetic (PBPK) modeling was used to predict the plasma and tissue concentrations of 17 cannabinoids in humans. PBPK models were established using measured (in vitro) and predicted (in silico) physicochemical and pharmacokinetic properties, such as water solubility and effective human jejunal permeability. Initially, PBPK models were established for CBD and the model performance was evaluated using reported clinical data after intravenous and oral administration. PBPK models were then developed for 16 additional cannabinoids including CBG, and the plasma and tissue concentrations were predicted after 30 mg oral administration. The pharmacokinetic profiles of the 16 cannabinoids were similar to CBD, and the plasma concentration and time profiles of CBD agreed well with clinical data in the literature. Although low exposure was predicted in the plasma (maximum plasma concentrations < 15 nM), the predicted tissue concentrations, especially the liver (maximum liver concentrations 70–183 nM), were higher after oral administration of 30 mg cannabinoids. These predicted plasma and tissue concentrations could be used to guide further in vitro and in vivo testing.
Machine learning‐based approach for prediction of ion channels and their subclasses
Authors: Singh Anuj , Tiwari Arvind Kumar 
Published: October 2022

AbstractIon channels are ion‐permeable protein pores that are found in all cell lipid membranes. Distinct ion channels play multiple roles in biological processes. Proteomic data is fast accumulating as a result of the fast growth of mass spectrometry and giving us the chance to comprehensively explore ion channel classes along with their subclasses. This paper proposes an eXtreme Gradient Boosting (XGBoost)‐based method to estimate the ion channel classes and their subclasses. Here, 12 feature vectors are applied to better characterize protein sequences like amino acid composition, pseudo‐amino acid composition, normalized moreau‐broto autocorrelation, amphiphilic pseudo‐amino acid composition, dipeptide composition, Geary autocorrelation, tripeptide composition, sequence‐order‐coupling number, composition/transition/distribution, conjoint triad, moran autocorrelation, quasi‐sequence‐order descriptors. Here, a total of 9920 features are extracted from the protein sequence. The principal component analysis is applied to determine the optimal number of features to optimize the performance. In 10‐fold cross‐validation the proposed XGBoost based approach with optimal 50 features achieved accuracy of 100%, 98.70%, 98.77%, 97.26%, 87.40%, 97.39%, 98.03%, 96.42%, and F1‐Score of 100%, 99%, 99%, 97%, 87%, 97%, 98%, 97%, for prediction of ion channel and nonion channel, voltage‐gated and ligand‐gated ion channels, subclasses of voltage‐gated ion channels (VGICs), subclasses of ligand‐gated ion channels (LGICs), subclasses of voltage‐gated calcium channels (VGCCs), subclasses of voltage‐gated potassium channels (VGKCs), subclasses of voltage‐gated sodium channels (VGSCs), and subclasses of voltage‐gated chloride channels, respectively. Here the proposed approach also compares with the other approaches such as support vector machine, k‐nearest neighbor, Gaussian Naïve Bayes, and random forest and also compares with existing methods such as support vector machine (SVM) with maximum relevance maximum distance with an accuracy of 86.6%, 83.7%, and 85.1%, for ion channels, non‐ion channels and overall respectively and SVM with radial basis function kernel‐based method with an accuracy of 100%, 97% and 99.9% for ion channels, nonion channels, and overall accuracy, respectively.