bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrochemical C–H phosphorylation of arenes in continuous flow suitable for late-stage functionalization
Authors: Long Hao , Huang Chong , Zheng Yun-Tao , Li Zhao-Yu , Jie Liang-Hua , Song Jinshuai , Zhu Shaobin , Xu Hai-Chao 
Published: November 2021

AbstractThe development of efficient and sustainable methods for carbon-phosphorus bond formation is of great importance due to the wide application of organophosphorus compounds in chemistry, material sciences and biology. Previous C–H phosphorylation reactions under nonelectrochemical or electrochemical conditions require directing groups, transition metal catalysts, or chemical oxidants and suffer from limited scope. Herein we disclose a catalyst- and external oxidant-free, electrochemical C–H phosphorylation reaction of arenes in continuous flow for the synthesis of aryl phosphorus compounds. The C–P bond is formed through the reaction of arenes with anodically generated P-radical cations, a class of reactive intermediates remained unexplored for synthesis despite intensive studies of P-radicals. The high reactivity of the P-radical cations coupled with the mild conditions of the electrosynthesis ensures not only efficient reactions of arenes of diverse electronic properties but also selective late-stage functionalization of complex natural products and bioactive compounds. The synthetic utility of the electrochemical method is further demonstrated by the continuous production of 55.0 grams of one of the phosphonate products.
In vivo volumetric imaging of calcium and glutamate activity at synapses with high spatiotemporal resolution
Authors: Chen Wei , Natan Ryan G. , Yang Yuhan , Chou Shih-Wei , Zhang Qinrong , Isacoff Ehud Y. , Ji Na 
Published: November 2021

AbstractStudying neuronal activity at synapses requires high spatiotemporal resolution. For high spatial resolution in vivo imaging at depth, adaptive optics (AO) is required to correct sample-induced aberrations. To improve temporal resolution, Bessel focus has been combined with two-photon fluorescence microscopy (2PFM) for fast volumetric imaging at subcellular lateral resolution. To achieve both high-spatial and high-temporal resolution at depth, we develop an efficient AO method that corrects the distorted wavefront of Bessel focus at the objective focal plane and recovers diffraction-limited imaging performance. Applying AO Bessel focus scanning 2PFM to volumetric imaging of zebrafish larval and mouse brains down to 500 µm depth, we demonstrate substantial improvements in the sensitivity and resolution of structural and functional measurements of synapses in vivo. This enables volumetric measurements of synaptic calcium and glutamate activity at high accuracy, including the simultaneous recording of glutamate activity of apical and basal dendritic spines in the mouse cortex.
Poly (Orange CD) sensor for paracetamol in presence of folic acid and dopamine
Authors: Sukanya S. D. , Swamy B. E. Kumara , Shashikumara J. K. , Sharma S. C. , Hariprasad S. A. 
Published: November 2021

AbstractIn the present work, Orange CD was chosen as an intriguing modifier for the electropolymerization on the surface of CPE by the CV technique. A novel, sensitive, and cost-effective poly (Orange CD) MCPE (PoOCD/MCPE) sensor was utilized for the selective detection of paracetamol (PA) in 0.2 M phosphate buffer solution (PBS) of pH 7.4. The oxidation peak current of PA was vastly enhanced at the sensor. The scan rate study is suggested that electro-oxidation of PA was adsorption-controlled. The pH study testifies the redox pathways transport with the same quantity of electrons and protons. The detection limit of PA is found to be 2.64 µM. DPV results show that substantial peak separation between PA, folic acid (FA), and dopamine (DA) could be facilitating their individual and simultaneous determination on the sensor. The decorated sensor demonstrates high sensitivity, stability, reproducibility, repeatability and has been successfully exploited for the detection of PA in a tablet with promising results.
Space oddity: musical syntax is mapped onto visual space
Authors: Maimon Neta B. , Lamy Dominique , Eitan Zohar 
Published: November 2021

AbstractIncreasing evidence has uncovered associations between the cognition of abstract schemas and spatial perception. Here we examine such associations for Western musical syntax,tonality.Spatial metaphors are ubiquitous when describing tonality: stable, closural tones are considered to be spatially central and, as gravitational foci, spatially lower. We investigated whether listeners, musicians and nonmusicians, indeed associate tonal relationships with visuospatial dimensions, including spatial height, centrality, laterality, and size, implicitly or explicitly, and whether such mappings are consistent with established metaphors. In the explicit paradigm, participants heard a tonality-establishing prime followed by a probe tone and coupled each probe with a subjectively appropriate location (Exp.1) or size (Exp.4). The implicit paradigm used a version of the Implicit Association Test to examine associations of tonal stability with vertical position (Exp.2), lateral position (Exp3) and size (Exp.5). Tonal stability was indeed associated with perceived physical space: the spatial distances between the locations associated with different scale-degrees significantly correlated with the tonal stability differences between these scale-degrees. However, inconsistently with musical discourse, stable tones were associated with leftward (instead of central) and higher (instead of lower) spatial positions. We speculate that these mappings are influenced by emotion, embodying the “good is up” metaphor, and by the spatial structure of music keyboards. Taken together, the results demonstrate a new type of cross-modal correspondence and a hitherto under-researched connotative function of musical structure. Importantly, the results suggest that the spatial mappings of an abstract domain may be independent of the spatial metaphors used to describe that domain.
High fidelity blood flow in a patient-specific arteriovenous fistula
Authors: McCullough J. W. S. , Coveney P. V. 
Published: November 2021

AbstractAn arteriovenous fistula, created by artificially connecting segments of a patient’s vasculature, is the preferred way to gain access to the bloodstream for kidney dialysis. The increasing power and availability of supercomputing infrastructure means that it is becoming more realistic to use simulations to help identify the best type and location of a fistula for a specific patient. We describe a 3D fistula model that uses the lattice Boltzmann method to simultaneously resolve blood flow in patient-specific arteries and veins. The simulations conducted here, comprising vasculatures of the whole forearm, demonstrate qualified validation against clinical data. Ongoing research to further encompass complex biophysics on realistic time scales will permit the use of human-scale physiological models for basic and clinical medicine.
A wavelet features derived radiomics nomogram for prediction of malignant and benign early-stage lung nodules
Authors: Jing Rui , Wang Jingtao , Li Jiangbing , Wang Xiaojuan , Li Baijie , Xue Fuzhong , Shao Guangrui , Xue Hao 
Published: November 2021

AbstractThis study was to develop a radiomics nomogram mainly using wavelet features for identifying malignant and benign early-stage lung nodules for high-risk screening. A total of 116 patients with early-stage solitary pulmonary nodules (SPNs) (≤ 3 cm) were divided into a training set (N = 70) and a validation set (N = 46). Radiomics features were extracted from plain LDCT images of each patient. A radiomics signature was then constructed with the LASSO with the training set. Combined with independent risk factors, a radiomics nomogram was built with a multivariate logistic regression model. This radiomics signature, consisting of one original and nine wavelet features, achieved favorable predictive efficacy than Mayo Clinic Model. The radiomics nomogram with radiomics signature and age also showed good calibration and discrimination in the training set (AUC 0.9406; 95% CI 0.8831–0.9982) and the validation set (AUC 0.8454; 95% CI 0.7196–0.9712). The decision curve indicated the clinical usefulness of our nomogram. The presented radiomics nomogram shows favorable predictive accuracy for identifying malignant and benign lung nodules in early-stage patients and is much better than the Mayo Clinic Model.
Research on boundary slip of hydrostatic lead screw under different driving modes
Authors: Liu Yandong , Feng Xianying , Li Yanfei , Lu Jiajia , Su Zhe 
Published: November 2021

AbstractThe flow state of oil film in the hydrostatic lead screw directly affects the transmission performance of the screw pair. The static and dynamic characteristics of a new type of double driven hydrostatic screw-nut pair (DDHSNP) are studied under different motion modes. The boundary condition of navier slip model is introduced into the lubricating mathematical model of DDHSNP, and the influences of boundary slip on the axial bearing capacity, axial stiffness and damping coefficient in micro scale are researched by finite difference method. The results show that when the motor runs at high speed (the rotating speed range of the screw and nut driven motor is 1000–9000 rpm), the existence of boundary slip leads to a improvement of the axial bearing capacity and stiffness coefficient of DDHSNP in the case of single-drive operation and dual-drive differential feed (the range of rotation difference is 10–100 rpm), which is more obvious under the single-drive mode. The increase rate of stiffness coefficient induced by boundary slip is much larger than that of bearing capacity. In addition, the boundary slip has little effect on the damping coefficient of DDHSNP in either single drive operation or dual drive differential operation.
Dramatic activation of an antibody by a single amino acid change in framework
Authors: Liang Wei-Ching , Yin Jianping , Lupardus Patrick , Zhang Jianhuan , Loyet Kelly M. , Sudhamsu Jawahar , Wu Yan 
Published: November 2021

AbstractAntibody function is typically entirely dictated by the Complementarity Determining Regions (CDRs) that directly bind to the antigen, while the framework region acts as a scaffold for the CDRs and maintains overall structure of the variable domain. We recently reported that the rabbit monoclonal antibody 4A11 (rbt4A11) disrupts signaling through both TGFβ2 and TGFβ3 (Sun et al. in Sci Transl Med, 2021. https://doi.org/10.1126/scitranslmed.abe0407). Here, we report a dramatic, unexpected discovery during the humanization of rbt4A11 where, two variants of humanized 4A11 (h4A11), v2 and v7 had identical CDRs, maintained high affinity binding to TGFβ2/3, yet exhibited distinct differences in activity. While h4A11.v7 completely inhibited TGFβ2/3 signaling like rbt4A11, h4A11.v2 did not. We solved crystal structures of TGFβ2 complexed with Fab fragments of h4A11.v2 or h4A11.v7 and identified a novel interaction between the two heavy chain molecules in the 2:2 TGFb2:h4A11.v2-Fab complex. Further characterization revealed that framework residue variations at either position 19, 79 or 81 (Kabat numbering) of the heavy chain strikingly converts h4A11.v2 into an inhibitory antibody. Our work suggests that in addition to CDRs, framework residues and interactions between Fabs in an antibody could be engineered to further modulate activity of antibodies.
Comparative transcriptomic profiling of susceptible and resistant cultivars of pigeonpea demonstrates early molecular responses during Fusarium udum infection
Authors: Purohit Arnab , Ghosh Sanatan , Ganguly Shreeparna , Negi Madan Singh , Tripathi Shashi Bhushan , Chaudhuri Rituparna Kundu , Chakraborti Dipankar 
Published: November 2021

AbstractVascular wilt caused by Fusarium udum Butler is the most important disease of pigeonpea throughout the world. F. udum isolate MTCC 2204 (M1) inoculated pigeonpea plants of susceptible (ICP 2376) and resistant (ICP 8863) cultivars were taken at invasion stage of pathogenesis process for transcriptomic profiling to understand defense signaling reactions that interplay at early stage of this plant–pathogen encounter. Differential transcriptomic profiles were generated through cDNA-AFLP from M1 inoculated resistant and susceptible pigeonpea root tissues. Twenty five percent of transcript derived fragments (TDFs) were found to be pathogen induced. Among them 73 TDFs were re-amplified and sequenced. Homology search of the TDFs in available databases and thorough study of scientific literature identified several pathways, which could play crucial role in defense responses of the F. udum inoculated resistant plants. Some of the defense responsive pathways identified to be active during this interaction are, jasmonic acid and salicylic acid mediated defense responses, cell wall remodeling, vascular development and pattering, abscisic acid mediated responses, effector triggered immunity, and reactive oxygen species mediated signaling. This study identified important wilt responsive regulatory pathways in pigeonpea which will be helpful for further exploration of these resistant components for pigeonpea improvement.
An assessment of uranium in groundwater in the Grand Canyon region
Authors: Tillman Fred D , Beisner Kimberly R. , Anderson Jessica R. , Unema Joel A. 
Published: November 2021

AbstractThe Grand Canyon region in northern Arizona is a home or sacred place of origin for many Native Americans and is visited by over 6 million tourists each year. Most communities in the area depend upon groundwater for all water uses. Some of the highest-grade uranium ore in the United States also is found in the Grand Canyon region. A withdrawal of over 4000 km2 of Federal land in the Grand Canyon region from new uranium mining activities for 20 years was instituted in 2012, owing in part to a lack of scientific data on potential effects from uranium mining on water resources in the area. The U.S. Geological Survey has collected groundwater chemistry samples since 1981 in the Grand Canyon region to better understand the current state of groundwater quality, to monitor for changes in groundwater quality that may be the result of mining activities, and to identify "hot spots" with elevated metal concentrations and investigate the causes. This manuscript presents results for the assessment of uranium in groundwater in the Grand Canyon region. Analytical results for uranium in groundwater in the Grand Canyon region were available for 573 samples collected from 180 spring sites and 26 wells from September 1, 1981 to October 7, 2020. Samples were collected from springs issuing from stratigraphic units above, within, and below the Permian strata that host uranium ore in breccia pipes in the area. Maximum uranium concentrations at groundwater sites in the region ranged from less than 1 µg/L at 23 sites (11%) to 100 µg/L or more at 4 sites (2%). Of the 206 groundwater sites sampled, 195 sites (95%) had maximum observed uranium concentrations less than the U.S. Environmental Protection Agency’s Maximum Contaminant Level of 30 µg/L for drinking water and 177 sites (86%) had uranium concentrations less than the 15 µg/L Canadian benchmark for protection of aquatic life in freshwater. The establishment of baseline groundwater quality is an important first step in monitoring for change in water chemistry throughout mining lifecycles and beyond to ensure the health of these critical groundwater resources.
Artificial intelligence model comparison for risk factor analysis of patent ductus arteriosus in nationwide very low birth weight infants cohort
Authors: Na Jae Yoon , Kim Dongkyun , Kwon Amy M. , Jeon Jin Yong , Kim Hyuck , Kim Chang-Ryul , Lee Hyun Ju , Lee Joohyun , Park Hyun-Kyung 
Published: November 2021

AbstractDespite the many comorbidities and high mortality rate in preterm infants with patent ductus arteriosus (PDA), therapeutic strategies vary depending on the clinical setting, and most studies of the related risk factors are based on small sample populations. We aimed to compare the performance of artificial intelligence (AI) analysis with that of conventional analysis to identify risk factors associated with symptomatic PDA (sPDA) in very low birth weight infants. This nationwide cohort study included 8369 very low birth weight (VLBW) infants. The participants were divided into an sPDA group and an asymptomatic PDA or spontaneously close PDA (nPDA) group. The sPDA group was further divided into treated and untreated subgroups. A total of 47 perinatal risk factors were collected and analyzed. Multiple logistic regression was used as a standard analytic tool, and five AI algorithms were used to identify the factors associated with sPDA. Combining a large database of risk factors from nationwide registries and AI techniques achieved higher accuracy and better performance of the PDA prediction tasks, and the ensemble methods showed the best performances.
The influence of M-CSF on fracture healing in a mouse model
Authors: Starlinger Julia , Sarahrudi Kambiz , Kecht Mathias , Koerbler Florian , Pietschmann Peter , Aharinejad Seyedhossein 
Published: November 2021

AbstractMacrophage colony-stimulating factor 1 (M-CSF) is known to play a critical role during fracture repair e.g. by recruiting stem cells to the fracture site and impacting hard callus formation by stimulating osteoclastogenesis. The aim of this experiment was to study the impact of systemic M-CSF application and its effect on bony healing in a mouse model of femoral osteotomy. Doing so, we studied 61 wild type (wt) mice (18-week-old female C57BL/6) which were divided into three groups: (1) femoral osteotomy, (2) femoral osteotomy + stabilization with external fixator and (3) femoral osteotomy + stabilization with external fixator + systemic M-CSF application. Further, 12 op/op mice underwent femoral osteotomy and served as proof of concept. After being sacrificed at 28 days bony bridging was evaluated ex vivo with µCT, histological and biomechanical testing. Systemic M-CSF application impacted osteoclasts numbers, which were almost as low as found in op/op mice. Regarding callus size, the application of M-CSF in wt mice resulted in significantly larger calluses compared to wt mice without systemic M-CSF treatment. We further observed an anabolic effect of M-CSF application resulting in increased trabecular thickness compared to wt animals without additional M-CSF application. Systemic M-CSF application did not alter biomechanical properties in WT mice. The impact of M-CSF application in a mouse model of femoral osteotomy was oppositional to what we were expecting. While M-CSF application had a distinct anabolic effect on callus size as well as trabecular thickness, this on bottom line did not improve biomechanical properties. We hypothesize that in addition to the well-recognized negative effects of M-CSF on osteoclast numbers this seems to further downstream cause a lack of feedback on osteoblasts. Ultimately, continuous M-CSF application in the absence of co-stimulatory signals (e.g. RANKL) might overstimulate the hematopoietic linage in favor of tissue macrophages instead of osteoclasts.
A phase I study of the WT2725 dosing emulsion in patients with advanced malignancies
Authors: Fu Siqing , Piccioni David E. , Liu Hongtao , Lukas Rimas V. , Kesari Santosh , Aregawi Dawit , Hong David S. , Yamaguchi Kenichiro , Whicher Kate , Zhang Yi , Chen Yu-Luan , Poola Nagaraju , Eddy John , Blum David 
Published: November 2021

AbstractWT2725 is a Wilms’ tumor gene 1 (WT1)-derived-oligopeptide vaccine designed to induce WT1-specific cytotoxic T-lymphocytes against WT1+ tumors in human leukocyte antigen (HLA)-A*0201+ and/or HLA-A*0206+ patients. Here, we report the results of a phase I study of WT2725. In this phase I, open-label, dose-escalation and expansion two-part study, the WT2725 dosing emulsion was administered as a monotherapy to patients with advanced malignancies known to overexpress WT1, including glioblastoma. In part 1, 44 patients were sequentially allocated to four doses: 0.3 mg (n = 5), 0.9 mg (n = 5), 3 mg (n = 6), and 9 mg (n = 28). In part 2, 18 patients were allocated to two doses: 18 mg (n = 9) and 27 mg (n = 9). No dose-limiting toxicities were observed, so the maximum tolerated dose was not reached. Median progression-free survival was 58 (95% confidence interval [CI] 56–81) days (~ 2 months) across all patients with solid tumors; median overall survival was 394 days (13.0 months) (95% CI 309–648). Overall immune-related response rate in solid tumor patients was 7.5% (95% CI 2.6–19.9); response was most prominent in the glioblastoma subgroup. Overall, 62.3% of patients were considered cytotoxic T-lymphocyte responders; the proportion increased with increasing WT2725 dosing emulsion dose. WT2725 dosing emulsion was well tolerated. Preliminary tumor response and biological marker data suggest that WT2725 dosing emulsion may exert antitumor activity in malignancies known to overexpress the WT1 protein, particularly glioblastoma, and provide a rationale for future clinical development.Trial registration: NCT01621542.
A simple and reliable approach for the fabrication of nanoporous silver patterns for surface-enhanced Raman spectroscopy applications
Authors: Capaccio Angela , Sasso Antonio , Rusciano Giulia 
Published: November 2021

AbstractThe fabrication of plasmonic nanostructures with a reliable, low cost and easy approach has become a crucial and urgent challenge in many fields, including surface-enhanced Raman spectroscopy (SERS) based applications. In this frame, nanoporous metal films are quite attractive, due to their intrinsic large surface area and high density of metal nanogaps, acting as hot-spots for Raman signal enhancement. In this paper, we report a detailed study on the fabrication of nanoporous silver-based SERS substrates, obtained by the application of two successive treatments with an Inductively Coupled Plasma (ICP) system, using synthetic air and Ar as feeding gases. The obtained substrates exhibit a quite broad plasmonic response, covering the Vis–NIR range, and an enhancement factor reaching 6.5 $$\times\, 10^7$$

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7

, estimated by using 4-mercaptobenzoic acid (4-MBA) as probe molecule at 532 nm. Moreover, the substrates exhibit a quite good spatial reproducibility on a centimeter scale, which assures a good signal stability for analytical measurements. Globally, the developed protocol is easy and cost effective, potentially usable also for mass production thanks to the remarkable inter-batches reproducibility. As such, it holds promise for its use in SERS-based sensing platforms for sensitive detection of targets molecules.