bluuebunny/crossref_metadata_2025_split huggingface dataset:
Metabolomics Reveals a “Trimeric” γ‐Actinorhodin from Streptomyces coelicolor M145
Authors: Marshall Andrew P. , Carlson Erin E. 
Published: February 2023

AbstractStreptomyces coelicolor is a prolific producer of natural products and serves as a model organism for their study. It produces several pigmented antibiotics, the best‐studied of which are the actinorhodins. We used a combination of liquid chromatography‐mass spectrometry (LC–MS) and computational tools used for annotating the detected species (e. g., spectral matching, in‐silico predictors, molecular networking) to identify putative new actinorhodin analogs. These studies led to the discovery of the first trimeric benzoisochromanequinone, θ‐actinorhodin (1). Further metabolomics analysis revealed that the relative amounts of shunt products produced were similar between the two growth conditions explored. This suggests that, while substantially different products were being produced, the biosynthetic gene clusters were similarly active. Overall, this work describes the discovery of the first trimeric benzoisochromanequinone and explores the biosynthetic processes that might lead to its production by metabolomics analysis of relevant intermediates.
Atroposelective Nenitzescu Indole Synthesis
Authors: Thönnißen Vinzenz , Atodiresei Iuliana L. , Patureau Frederic W. 
Published: February 2023

AbstractIn the past decade, compounds bearing a stereogenic C−N axis have gained significant attention in fields ranging from ligand to drug design. Yet, the atroposelective synthesis of these molecules remains a considerable challenge. In contrast to recent methods using more advanced chiral catalysts, a very simply accessed Jacobsen‐type chromium(III)−salen complex was used here as a chiral enantiopure Lewis acid catalyst for a highly atroposelective Nenitzescu indole synthesis. Mild reaction conditions afforded various 5‐hydroxybenzo[g]indoles in up to 97 % yield. Moreover, through a simple work‐up, very high enantiomeric excesses of up to 99 % could be obtained.
Deposition of polymeric sensing materials for gas detection
Authors: Mavani Bhoomi H. , Arabi Mohamed , Saritas Resul , Scott Alison J. , Abdel‐Rahman Eihab , Penlidis Alexander 
Published: February 2023

AbstractOnce a promising polymeric (detection) material is identified, it needs to be incorporated into a MEMS sensor. In this sensor functionalization step, the deposition of the polymeric material on the sense‐plate should be accurate and repeatable. After a quick overview of different deposition methods and related solubility characteristics of polyaniline (and derivatives), drop coating is implemented to deposit polyaniline on sense‐plates, moving from a manual deposition technique to a semi‐automated deposition procedure with more practical benefits, and identifying an optimal ‘carrier’ mixture of 10–15/90–85 polyaniline/ethylene glycol. A correlation can be established between area coverage and polymer mass, which leaves room for future fully automated deposition using image processing.
A phase 1 dose‐escalation study of the poly(ADP‐ribose) polymerase inhibitor senaparib in Australian patients with advanced solid tumors
Authors: Gao Bo , Voskoboynik Mark , Cooper Adam , Wilkinson Kate , Hoon Siao , Hsieh Chih‐Yi , Cai Suixiong , Tian Ye Edward , Bao Jun , Ma Ning , Wang Chen , Zhang Ming , Li Baoyue , Guo Mingchuan , Zhou Ruiyu , Wang Xiaozhu , Xu Cong , de Souza Paul 
Published: January 2023

AbstractBackgroundSenaparib is a novel, selective poly(ADP‐ribose) polymerase‐1/2 inhibitor with strong antitumor activity in preclinical studies. This first‐in‐human, phase 1, dose‐escalation study examined the safety and preliminary efficacy of senaparib in patients with advanced solid tumors.MethodsPatients with advanced solid tumors were enrolled from three centers in Australia, using a conventional 3 + 3 design. Dose‐escalation cohorts continued until the maximum tolerated dose or a recommended phase 2 dose was determined. Patients received one dose of oral senaparib and, if no dose‐limiting toxicity occurred within 7 days, they received senaparib once daily in 3‐week cycles. The primary end points were safety and tolerability.ResultsThirty‐nine patients were enrolled at 10 dose levels ranging from 2 to 150 mg. No dose‐limiting toxicities were observed in any cohort. Most treatment‐emergent adverse events were grade 1–2 (91%). Seven patients (17.9%) reported hematologic treatment‐emergent adverse events. Treatment‐related adverse events occurred in eight patients (20.5%), and the most frequent was nausea (7.7%). Two deaths were reported after the end of study treatment, one of which was considered a complication from senaparib‐related bone marrow failure. Pharmacokinetic analysis indicated that senaparib the accumulation index was 1.06–1.67, and absorption saturation was 80–150 mg daily. In 22 patients with evaluable disease, the overall response rate was 13.6%, and the disease control rate was 81.8%. The overall response rate was 33.3% for the BRCA mutation‐positive subgroup and 6.3% for the nonmutated subgroup.ConclusionsSenaparib was well tolerated in Australian patients with advanced solid tumors, with encouraging signals of antitumor activity. The recommended phase 2 dose for senaparib was determined to be 100 mg daily.ClinicalTrials.gov IDNCT03507543.
In silico approach towards neuro‐occlusal rehabilitation for the early correction of asymmetrical development in a unilateral crossbite patient
Authors: Ortún‐Terrazas Javier , Cegoñino José , Pérez del Palomar Amaya 
Published: February 2023

AbstractNeuro‐occlusal rehabilitation (N.O.R.) is a discipline of the stomatognathic medicine that defends early treatments of functional malocclusions, such as unilateral crossbite, for the correction of craniofacial development, avoiding surgical procedures later in life. Nevertheless, N.O.R.'s advances have not been proved analytically yet due to the difficulties of evaluate the mechanical response after the treatment. This study aims to evaluate computationally the effect of N.O.R.'s treatments during childhood. Therefore, bilateral chewing and maximum intercuspation occlusion were modelled through a detailed finite element model of a paediatric craniofacial complex, before and after different selective grinding‐alternatives. This model was subjected to the muscular forces derived from a musculoskeletal model and was validated by the occlusal contacts recorded experimentally. This approach yielded errors below 2% and reproduced successfully the occlusal, muscular, functional and mechanical imbalance before the therapies. Treatment strategies balanced the occlusal plane and reduced the periodontal overpressure (>4.7 kPa) and the mandibular over deformation (>0.002 ε) on the crossed side. Based on the principles of the mechanostat theory of bone remodelling and the pressure‐tension theory of tooth movement, these findings could also demonstrate how N.O.R.'s treatments correct the malocclusion and the asymmetrical development of the craniofacial complex. Besides, N.O.R.'s treatments slightly modified the stress state and functions of the temporomandibular joints, facilitating the chewing by the unaccustomed side. These findings provide important biomechanical insights into the use of N.O.R.'s treatments for the correction of unilateral crossbite, but also encourage the application of computing methods in biomedical research and clinical practise.
Serum and peritoneal biomarkers for the early prediction of symptomatic anastomotic leakage in patients following laparoscopic low anterior resection: A single‐center prospective cohort study
Authors: Qi Xin‐Yu , Tan Fei , Liu Mao‐Xing , Xu Kai , Gao Pin , Yao Zhen‐Dan , Zhang Nan , Yang Hong , Zhang Cheng‐Hai , Xing Jia‐Di , Cui Ming , Su Xiang‐Qian 
Published: January 2023

AbstractBackgroundAnastomotic leakage (AL) is one of the common complications after rectal cancer surgery. This study aimed to evaluate the combination of biomarkers for the early prediction of symptomatic AL after surgery.MethodsA prospective cohort study evaluated the serum and peritoneal biomarkers of patients who underwent laparoscopic low anterior resection (Lap LAR) from November 1, 2021, to May 1, 2022. Multivariate‐penalized logistic regression was performed to explore the independent biomarker with a P‐value <.1, and receiver operating characteristic (ROC) curve was used to analyze the area under the curve (AUC), sensitivity, and specificity of the independent biomarkers. A predictive model for symptomatic AL was built based on the independent biomarkers and was visualized with a nomogram. The calibration curve with the concordance index (c‐index) was further applied to evaluate the efficacy of the predictive model.ResultsA total of 157 patients were included in this study, and 7 (4.5%) were diagnosed with symptomatic AL. C‐reactive protein/album ratio (CAR) on postoperative day 1 and systemic immune‐inflammation index (SII) and peritoneal interleukin‐6 (IL‐6) on postoperative day 3 were proven to be independent predictors for the early prediction of symptomatic AL. The optimal cutoff values of CAR, SII, and peritoneal IL‐6 were 1.04, 916.99, and 26430.09 pg/ml, respectively. Finally, the nomogram, including these predictors, was established, and the c‐index of this nomogram was 0.812, indicating that the nomogram could be used for potential clinical reference.ConclusionThe combination of CAR, SII, and peritoneal IL‐6 might contribute to the early prediction of symptomatic AL in patients following Lap LAR. Given the limitations of this study and the emergence of other novel biomarkers, multicenter prospective studies are worthy of further exploration.
Scale‐dependent effects of species diversity on aboveground biomass and productivity in a subtropical broadleaved forest on Mt. Huangshan
Authors: Xie Lei , Chen Hao , Wei Lai , Chen Shuifei , Wang Lu , Xu Baokun , Yi Xiangui , Wang Xianrong , Ding Hui , Fang Yanming 
Published: February 2023

AbstractThe relationship between species diversity and biomass/productivity is a major scientific question in ecology. Exploring this relationship is essential to understanding the mechanisms underpinning the maintenance of biodiversity. Positive, negative, and neutral relationships have been identified in controlled experiments and observational research. However, increasing evidence suggests that the effects of species diversity on aboveground biomass and productivity are influenced by biotic and abiotic factors, but it remains unclear whether scale‐dependent effects affect aboveground biomass and productivity. Herein, we used a generalized linear regression model and a structural equation model to explore relationships between species diversity and productivity/aboveground biomass under different scales and to investigate the effects of topographical factors and species diversity on ecosystem functioning. The results revealed a positive relationship between biodiversity and ecosystem functioning based on species diversity and aboveground biomass. Different sampling scales may impact the relationship between species diversity and ecosystem functioning. A positive relationship was found between species richness and productivity at medium and large scales; however, ambiguous relationships were found in productivity and other species diversity indices. Elevation was a key factor affecting both biomass and productivity. These results suggest that species diversity is not the only factor affecting biomass and productivity, and the positive correlation between species diversity and ecosystem functioning is mediated by abiotic factors.
Impact of ferric carboxymaltose for iron deficiency at discharge after heart failure hospitalization: a European multinational economic evaluation
Authors: McEwan Phil , Harrison Cale , Binnie Rhona , Lewis Ruth D. , Cohen‐Solal Alain , Lund Lars H. , Ohlsson Marcus , von Haehling Stephan , Comin‐Colet Josep , Pascual‐Figal Domingo A. , Wächter Sandra , Dorigotti Fabio , de Arellano Antonio Ramirez , Ponikowski Piotr , Jankowska Ewa A. 
Published: January 2023

AbstractAimsIron deficiency (ID) is comorbid in up to 50% patients with heart failure (HF) and exacerbates disease burden. Ferric carboxymaltose (FCM) reduced HF hospitalizations and improved quality of life when used to treat ID at discharge in patients hospitalized for acute HF with left ventricular ejection fraction <50% in the AFFIRM‐AHF trial. We quantified the effect of FCM on burden of disease and the wider pharmacoeconomic implications in France, Germany, Poland, Spain and Sweden.Methods and resultsThe per country eligible population was calculated, aligning with the 2021 European Society of Cardiology (ESC) HF guidelines and the AFFIRM‐AHF trial. Changes in burden of disease with FCM versus standard of care (SoC) were represented by disability‐adjusted life years (DALYs), hospitalization episodes and bed days, using AFFIRM‐AHF data. A Markov model was adapted to each country to estimate cost‐effectiveness and combined with epidemiology data to calculate the impact on healthcare budgets. Between 335 (Sweden) and 13 237 (Germany) DALYs were predicted to be avoided with FCM use annually. Fewer hospitalizations and shorter lengths of stay associated with FCM compared to SoC were projected to result in substantial annual savings in bed days, from 5215 in Sweden to 205 630 in Germany. In all countries, FCM was predicted to be dominant (cost saving with gains in quality‐adjusted life years), resulting in net savings to healthcare budgets within 1 year.ConclusionsThis comprehensive evaluation of FCM therapy highlights the potential benefits that could be realized through implementation of the ESC HF guideline recommendations regarding ID treatment.
Synthesis and Applications of Peptides and Peptidomimetics in Drug Discovery
Authors: Jimmidi Ravikumar 
Published: January 2023

AbstractPeptides are described as naturally occurring short chains of amino acids and offer great potential as therapeutic agents because of their target selectivity, safe, and well tolerable. Hence, there is an increased interest in peptides in pharmaceutical research and development and approximately more than 170 peptide therapeutics are currently being evaluated in clinical trials and many are being used as therapeutic drugs for various diseases including COVID‐19. The present Review article focuses on recent progress in peptide drug discovery and advancements in synthetic methodologies to enhance their stability and physiological activity of peptides and as well peptidomimetics.
Combined electroosmotic and pressure‐driven transport of neutral solutes across a rough, porous‐walled microtube
Authors: Sengupta Sourav , Dasgupta Tuhin , Roy Debashis , Dejam Morteza , De Sirshendu 
Published: January 2023

AbstractA number of microfluidic systems of interest essentially consist of micro‐scaled channels/tubes, whose walls are inherently rough. The novelty of the current study lies in exploring the impact of the wall roughness on mass transfer in the case of flow through a microtube with porous wall. The current investigation is possibly the first attempt at exploring the effect of mass transfer for a porous‐walled, rough microtube, as earlier studies were limited to the analysis of hydrodynamic and thermal effects only in an impervious microtube. In particular, the effects of the corrugation amplitude and the wavenumber on the mass transport have been assessed in detail in this work, via a combination of perturbation approximations and numerical analysis. Several interesting revelations are elicited regarding the effects of these pertinent parameters on the mass transfer coefficient, permeation flux, wall surface concentration, and delivery flux of the neutral solute. It has been unveiled that it is possible to enhance the solute mass flux by 10% via appropriate tuning of corrugation amplitude. The findings of the study can help in better understanding of mass transport for a porous‐walled, rough microtube, which has critical relevance in several important applications such as micromixers, targeted drug delivery, and so on.
Analog circuit fault diagnosis based on enhanced Harris Hawks optimization algorithm with RBF neutral network
Authors: Feng Haonan , Li Gang , Yu Jianjie , Ma Xiaojiao , Wang Junfei 
Published: January 2023

AbstractCircuit faults are caused by the change of device parameters in the analog circuit. Aiming at the problems that the fault feature extraction is difficult and the fault signal cannot be effectively classified, an enhanced Harris Hawks algorithm is proposed to optimize the parameter optimization process in the RBF neural network, so as to realize the fault identification and diagnosis of the analog circuit. Based on wavelet packet analysis, the output response of the analog circuit is decomposed, and the fault feature vector is extracted. Taking the power conversion circuit in the electronic interlocking system as the research object, 500 sets of data are collected, and the EHHO‐RBF algorithm is trained and tested to realize the fault diagnosis of different faults, and compared with other neural network fault algorithms, the experimental results show the accuracy of fault diagnosis of EHHO‐RBF method is about 96.5%, which verifies the effectiveness and feasibility of the algorithm.
Sex‐based structural and functional MRI outcomes in the rat brain after soman (GD) exposure‐induced status epilepticus
Authors: Gage Meghan , Vasanthi Suraj S , Meyer Christina M , Rao Nikhil S , Thedens Daniel R , Kannurpatti Sridhar S. , Thippeswamy Thimmasettappa 
Published: January 2023

AbstractObjectiveExposure to the nerve agent, soman (GD), induces status epilepticus (SE), epileptogenesis, and even death. Although rodent models studying the pathophysiological mechanisms show females to be more reactive to soman, no tangible sex differences in brains postexposure have been reported. In this study, we used multimodal imaging using MRI in adult rats to determine potential sex‐based biomarkers of soman effects.MethodsMale and female Sprague Dawley rats were challenged with 1.2 × LD50 soman followed by medical countermeasures. Ten weeks later, the brains were analyzed via structural and functional MRI.ResultsDespite no significant sex differences in the initial SE severity after soman exposure, long‐term MRI‐based structural and functional differences were evident in the brains of both sexes. While T2 MRI showed lesser soman‐induced neurodegeneration, large areas of T1 enhancements occurred in females than in males, indicating a distinct pathophysiology unrelated to neurodegeneration. fMRI‐based resting‐state functional connectivity (RSFC), indicated greater reductions in soman‐exposed females than in males, associating with the T1 enhancements (unrelated to neurodegeneration) rather than T2‐hyperintensity or T1‐hypointensity (representing neurodegeneration). The wider T1 enhancements associating with the decreased spontaneous neuronal activity in multiple resting‐state networks in soman‐exposed females than males suggest that neural changes unrelated to cellular atrophy impinge on brain function postexposure. Taken together with lower spontaneous neural activity in soman‐exposed females, the results indicate some form of neuroprotective state that was not present in males.SignificanceThe results indicate that endpoints other than neurodegeneration may need to be considered to translate sex‐based nerve agent effects in humans.
A novel NOx prediction model using the parallel structure and convolutional neural networks for a coal‐fired boiler
Authors: Li Nan , Hu Yong 
Published: January 2023

AbstractIn this paper, a novel model with a parallel structure is proposed to predict NOx emissions from coal‐fired boilers by using historical operational data, coal properties, and convolutional neural networks. The model inputs are processed and passed into three parallel subnetworks with well‐designed building blocks. The features learned by the three subnetworks are fused and used to predict NOx emissions from a 330‐MW pulverized coal‐fired utility boiler. A comprehensive comparison of different prediction models based on deep learning algorithms shows that the prediction model proposed in this paper outperforms other prediction models in terms of root mean square error criteria. The results show that the parallel structure is key to obtaining accurate predictions while reducing model complexity. This suggests that the model's performance can be improved by designing the model architecture.
Changes in suspended‐sediment yields under divergent land‐cover disturbance histories: A comparison of two large watersheds, Olympic Mountains, USA
Authors: Jaeger Kristin L. , Anderson Scott W. , Dunn Sarah B. 
Published: January 2023

AbstractImprovements in timber harvest practices and reductions in harvest volumes over the past half century are commonly presumed to have reduced sediment loads in many western US rivers. However, direct assessments in larger watersheds are relatively sparse. Here, we compare 2019–21 sediment concentrations against those of the late 1970s in the Bogachiel and Calawah River watersheds, adjacent and similarly sized (~300 km2) basins in the western Olympic Mountains of Washington State. The Calawah River watershed has experienced significant land‐cover disturbance, including a large 1951 fire, extensive post‐fire salvage logging, and relatively high rates of timber harvest through the 1990s. In contrast, the Bogachiel River watershed did not burn, and experienced only modest timber harvest that largely post‐dated 1970s sediment monitoring. Channel‐width trends suggest the Calawah River was still recovering from 1950s disturbances in the late 1970s. We found that 2019–21 suspended‐sediment loads in the Calawah River were 2.3–2.6 times lower than would have been expected based on 1970s sediment rating curves, while recent loads in the Bogachiel River were a factor of 1.4 ± 1.0 lower. We consider the plausibility and possible explanations of declining concentrations in the less‐disturbed Bogachiel River. Suspended‐sediment yields in the Bogachiel River were two times higher than yields in the Calawah River, which is attributed to a combination of modestly higher precipitation, more efficient runoff generation, and more extensive and erodible Quaternary valley fills in the Bogachiel River. Regional shifts in flood hydrology have also influenced suspended‐sediment loads in both watersheds. Our results then document a significant decline in suspended‐sediment concentrations in the Calawah River over the past half century. Reduced land‐cover disturbance provides the simplest and most likely explanation for this decline, though the wide range of possible concentration changes in the Bogachiel River leaves open possibilities that other processes (human, natural, or methodologic) could be a factor.