bluuebunny/crossref_metadata_2025_split huggingface dataset:
Brain parcellation driven by dynamic functional connectivity better capture intrinsic network dynamics
Authors: Fan Liangwei , Zhong Qi , Qin Jian , Li Na , Su Jianpo , Zeng Ling‐Li , Hu Dewen , Shen Hui 
Published: December 2020

AbstractUntil now, dynamic functional connectivity (dFC) based on functional magnetic resonance imaging is typically estimated on a set of predefined regions of interest (ROIs) derived from an anatomical or static functional atlas which follows an implicit assumption of functional homogeneity within ROIs underlying temporal fluctuation of functional coupling, potentially leading to biases or underestimation of brain network dynamics. Here, we presented a novel computational method based on dynamic functional connectivity degree (dFCD) to derive meaningful brain parcellations that can capture functional homogeneous regions in temporal variance of functional connectivity. Several spatially distributed but functionally meaningful areas that are well consistent with known intrinsic connectivity networks were identified through independent component analysis (ICA) of time‐varying dFCD maps. Furthermore, a systematical comparison with commonly used brain atlases, including the Anatomical Automatic Labeling template, static ICA‐driven parcellation and random parcellation, demonstrated that the ROI‐definition strategy based on the proposed dFC‐driven parcellation could better capture the interindividual variability in dFC and predict observed individual cognitive performance (e.g., fluid intelligence, cognitive flexibility, and sustained attention) based on chronnectome. Together, our findings shed new light on the functional organization of resting brains at the timescale of seconds and emphasized the significance of a dFC‐driven and voxel‐wise functional homogeneous parcellation for network dynamics analyses in neuroscience.
Metabolic Landscape of the Mouse Liver by Quantitative 31P Nuclear Magnetic Resonance Analysis of the Phosphorome
Authors: Bernardo‐Seisdedos Ganeko , Bilbao Jon , Fernández‐Ramos David , Lopitz‐Otsoa Fernando , Gutierrez de Juan Virginia , Bizkarguenaga Maider , Mateos Borja , Fondevila Marcos F. , Abril‐Fornaguera Jordi , Diercks Tammo , Lu Shelly C. , Nogueiras Rubén , Mato José M. , Millet Oscar 
Published: December 2020

Background and Aims
The liver plays a central role in all metabolic processes in the body. However, precise characterization of liver metabolism is often obscured by its inherent complexity. Phosphorylated metabolites occupy a prominent position in all anabolic and catabolic pathways. Here, we develop a 31P nuclear magnetic resonance (NMR)–based method to study the liver “phosphorome” through the simultaneous identification and quantification of multiple hydrophilic and hydrophobic phosphorylated metabolites.

Approach and Results
We applied this technique to define the metabolic landscape in livers from a mouse model of the rare disease disorder congenital erythropoietic porphyria (CEP) as well as two well‐known murine models of nonalcoholic steatohepatitis: one genetic, methionine adenosyltransferase 1A knockout mice, and the other dietary, mice fed a high‐fat choline‐deficient diet. We report alterations in the concentrations of phosphorylated metabolites that are readouts of the balance between glycolysis, gluconeogenesis, the pentose phosphate pathway, the tricarboxylic acid cycle, and oxidative phosphorylation and of phospholipid metabolism and apoptosis. Moreover, these changes correlate with the main histological features: steatosis, apoptosis, iron deposits, and fibrosis. Strikingly, treatment with the repurposed drug ciclopirox improves the phosphoromic profile of CEP mice, an effect that was mirrored by the normalization of liver histology.

Conclusions
In conclusion, these findings indicate that NMR‐based phosphoromics may be used to unravel metabolic phenotypes of liver injury and to identify the mechanism of drug action.
A novel algorithm for the computation of systems containing different types of integral and integro‐differential equations
Authors: Khan Noor Saeed , Ali Liaqat , Ali Rohail , Kumam Poom , Thounthong Phatiphat 
Published: December 2020

AbstractAn easy and efficient technique is applied to get a reliable analytic approximate solution of linear and nonlinear integral and integro‐differential equations arising in the phenomena of everyday life. The proposed technique consists of a series only in which the unknown constants are determined in the usual way. The obtained results by this technique are in good agreement with the exact solution and it is proved that this technique is effective and easy to apply. Some problems are solved to prove the above claims and also the results are compared with exact solutions as well as with the results obtained by already existing different techniques.
Inhibiting phosphoglycerate dehydrogenase counteracts chemotherapeutic efficacy againstMYCN‐amplified neuroblastoma
Authors: Arlt Birte , Zasada Christin , Baum Katharina , Wuenschel Jasmin , Mastrobuoni Guido , Lodrini Marco , Astrahantseff Kathy , Winkler Annika , Schulte Johannes H. , Finkler Sabine , Forbes Martin , Hundsdoerfer Patrick , Guergen Dennis , Hoffmann Jens , Wolf Jana , Eggert Angelika , Kempa Stefan , Deubzer Hedwig E. 
Published: December 2020

AbstractHere we sought metabolic alterations specifically associated withMYCNamplification as nodes to indirectly target theMYCNoncogene. Liquid chromatography‐mass spectrometry‐based proteomics identified seven proteins consistently correlated with MYCN in proteomes from 49 neuroblastoma biopsies and 13 cell lines. Among these was phosphoglycerate dehydrogenase (PHGDH), the rate‐limiting enzyme in de novo serine synthesis. MYCN associated with two regions in thePHGDHpromoter, supporting transcriptionalPHGDHregulation by MYCN. Pulsed stable isotope‐resolved metabolomics utilizing13C‐glucose labeling demonstrated higher de novo serine synthesis inMYCN‐amplified cells compared to cells with diploidMYCN. An independence ofMYCN‐amplified cells from exogenous serine and glycine was demonstrated by serine and glycine starvation, which attenuated nucleotide pools and proliferation only in cells with diploidMYCNbut did not diminish these endpoints inMYCN‐amplified cells. Proliferation was attenuated inMYCN‐amplified cells by CRISPR/Cas9‐mediatedPHGDHknockout or treatment with PHGDH small molecule inhibitors without affecting cell viability. PHGDH inhibitors administered as single‐agent therapy to NOG mice harboring patient‐derivedMYCN‐amplified neuroblastoma xenografts slowed tumor growth. However, combining a PHGDH inhibitor with the standard‐of‐care chemotherapy drug, cisplatin, revealed antagonism of chemotherapy efficacy in vivo. Emergence of chemotherapy resistance was confirmed in the genetic PHGDH knockout model in vitro. Altogether, PHGDH knockout or inhibition by small molecules consistently slows proliferation, but stops short of killing the cells, which then establish resistance to classical chemotherapy. Although PHGDH inhibition with small molecules has produced encouraging results in other preclinical cancer models, this approach has limited attractiveness for patients with neuroblastoma.
Prospective assessment of a nasopharyngeal carcinoma risk score in a population undergoing screening
Authors: Chen Geng‐Hang , Liu Zhiwei , Ji Ming‐Fang , Pfeiffer Ruth M. , Huang Qi‐Hong , Lu Yu‐Qiang , Xie Shang‐Hang , Lin Chu‐Yang , Chen Wen‐Jie , Chen Xiao‐Xia , Ling Wei , Fan Yu‐Ying , Yu Xia , Wu Biao‐Hua , Wei Kuang‐Rong , Rao Hui‐Lian , Guo Xiang , Hong Ming‐Huang , Ma Jun , Liu Qing , Hildesheim Allan , Cao Su‐Mei 
Published: December 2020

AbstractDespite evidence suggesting the utility of Epstein‐Barr virus (EBV) markers to stratify individuals with respect to nasopharyngeal carcinoma (NPC) risk in NPC high‐risk regions, no validated NPC risk prediction model exists. We aimed to validate an EBV‐based NPC risk score in an endemic population undergoing screening for NPC. This prospective study was embedded within an ongoing NPC screening trial in southern China initiated in 2008, with 51 235 adult participants. We assessed the score's discriminatory ability (area under the receiver‐operator‐characteristics curve, AUC). A new model incorporating the EBV score, sex and family history was developed using logistic regression and internally validated using cross‐validation. AUCs were compared. We also calculated absolute NPC risk combining the risk score with population incidence and competing mortality data. A total of 151 NPC cases were detected in 2008 to 2016. The EBV‐based score was highly discriminating, with AUC = 0.95 (95% CI = 0.93‐0.97). For 90% specificity, the score had 87.4% sensitivity (95% CI = 81.0‐92.3%). As specificity increased from 90% to 99%, the positive predictive value increased from 2.4% (95% CI = 1.9‐3.0%) to 12.5% (9.9‐15.5%). Correspondingly, the number of positive tests per detected NPC case decreased from 272 (95% CI = 255‐290) to 50 (41‐59). Combining the score with other risk factors (sex, first‐degree family history of NPC) did not improve AUC. Men aged 55 to 59 years with the highest risk profile had the highest 5‐year absolute NPC risk of 6.5%. We externally validated the discriminatory accuracy of a previously developed EBV score in a high‐risk population. Adding nonviral risk factors did not improve NPC prediction.
miR‐217 alleviates high‐glucose‐induced vascular smooth muscle cell dysfunction via regulating ROCK1
Authors: Zhou Wan , Ye Shandong , Wang Wei 
Published: December 2020

AbstractMicroRNA‐217 (miR‐217) has been recently reported to be abnormally expressed during atherosclerosis. Nonetheless, it still remains unknown whether miR‐217 can regulate inflammation, proliferation, migration, and apoptosis of vascular smooth muscle cells (VSMCs) in high‐glucose condition. Sprague Dawley rats were used for establishing diabetic animal models. miR‐217 mimics and miR‐217 inhibitors were transfected into VSMCs. The miR‐217 and ROCK1 expressions were measured by quantitative reverse transcription‐polymerase chain reaction and Western blot. VSMCs’ proliferation, migration, cell cycle, and apoptosis were validated using the Cell Counting Kit‐8 assay, Transwell assay, and flow cytometry analysis, respectively. The binding sites between miR‐217 and the 3′‐untranslated region of ROCK1 were predicted via miRanda, PicTar, TargetScan, and microT databases, and the targeting relationship was confirmed by dual‐luciferase reporter experiments. miR‐217 was found to be upregulated in VSMCs treated by high glucose and aorta VSMCs of diabetic rats. Transfection of miR‐217 mimics significantly induced VSMCs cycle arrest, inhibition of proliferation, reduction of migration, and enhancement of apoptosis. The bioinformatics analysis and dual‐luciferase reporter experiments identified ROCK1 as a direct target of miR‐217. miR‐217 inhibits excessive proliferation and migration of VSMCs induced by high glucose by targeting ROCK1.
The localization number of designs
Authors: Bonato Anthony , Huggan Melissa A. , Marbach Trent G. 
Published: December 2020

AbstractWe study the localization number of incidence graphs of designs. In the localization game played on a graph, the cops attempt to determine the location of an invisible robber via distance probes. The localization number of a graph , written , is the minimum number of cops needed to ensure the robber's capture. We present bounds on the localization number of incidence graphs of balanced incomplete block designs. Exact values of the localization number are given for the incidence graphs of projective and affine planes. Bounds are given for Steiner systems and for transversal designs.
COVID‐19 pandemic: mechanism, diagnosis, and treatment
Authors: Kumar Vinay , Doshi Khushi U , Khan Wajihul H , Rathore Anurag S 
Published: December 2020

AbstractThe COVID‐19 pandemic has become a significant global health crisis. The virus has spread to more than 200 countries worldwide and continues to infect more lives and cause more deaths. The second, and possibly the third wave, has begun, with hospitalizations and deaths rising continuously. The impact has galvanized research groups around the world that are working on novel diagnostics, vaccines, biotherapeutics, personal protective equipment, and epidemiological data analysis. This perspective focuses on the biological aspects of COVID‐19 infection, the origin and structure of SARS‐CoV‐2, its genomic variations, mode of transmission, pathogenesis in the human body, symptoms of the infection, mechanism of entry in the host cell, and techniques for clinical diagnosis. Precautionary measures, different treatment options, vaccine development, importance of multidisciplinary research, and political and global prospects of the pandemic have also been addressed. © 2020 Society of Chemical Industry
Enhancement of chromate bioaccumulation by engineered Escherichia coli cells co‐expressing chromate reductase (YieF) and a rice metallothionein isoform (OsMT1)
Authors: Shahpiri Azar , Majnoun Zahra , Kazemi‐Nasab Akram , Zarei Mohsen 
Published: December 2020

AbstractBACKGROUNDHexavalent chromium Cr(VI) is a toxic and carcinogenic heavy metal. It is highly water soluble and one of the most widely used metals in industry, resulting in soil and water contamination. Nowadays engineering microbes provide new strategies for remediation of heavy metals.RESULTSIn the present work, a gene encoding E. coli chromate reductase (YieF) was cloned in pCDF‐1b and was transferred to both cells containing empty pET41a (control strain), and cells containing pET41a‐OsMT1 (R‐MT1) resulted in production of new strains R‐YieF and R‐YieF/MT1, respectively. Both proteins – YieF as His‐tag fusion protein and OsMT1 as glutathione‐S‐transferase fusion protein – appeared in the soluble fraction of R‐YieF/MT1 after induction with isopropyl‐d‐1‐thiogalactopyranoside . The strain R‐YieF/OsMT1 showed high tolerance to Cr6+ and accumulated significantly higher Cr6+ than R‐MT1 (5 mg L−1), R‐YieF (7 mg L−1) and control (2 mg L−1). The accumulation of Cr6+ was dependent on the initial concentration of Cr6+ in the medium, time and the presence of other toxic metals such as Ag+1, Hg+2 and Cd2+.CONCLUSIONThis study demonstrated that the co‐expression of YieF and OsMT1 could effectively enhance the accumulation of Cr(VI) by E. coli cells and opens new insights into bioremediation strategies. © 2020 Society of Chemical Industry
The Hamiltonicity of essentially 9‐connected line graphs
Authors: Kaiser Tomáš , Vrána Petr 
Published: December 2020

AbstractYang et al proved that every 3‐connected, essentially 11‐connected line graph is Hamilton‐connected. This was extended by Li and Yang to 3‐connected, essentially 10‐connected line graphs. Strengthening their result further, we prove that 3‐connected, essentially 9‐connected line graphs are Hamilton‐connected. We use a method based on quasigraphs in combination with the discharging technique. The result extends to claw‐free graphs.
Evaluating ERA‐Interim, Agri4Cast, and E‐OBS gridded products in reproducing spatiotemporal characteristics of precipitation and drought over a data poor region: The Case of Greece
Authors: Mavromatis Theodoros , Voulanas Dimitrios 
Published: December 2020

AbstractGridded climate datasets are among the most used datasets in the study of weather and climate. Given the large range of such products currently available, investigators must consider their strengths and weaknesses. This research evaluated the comparative performance of two reanalysis datasets (ERA‐Interim, and Agri4Cast [e.g. MARS‐STAT]) and one reprocessing dataset (E‐OBS) in replicating selected spatiotemporal characteristics of precipitation and drought at 20 wine production regions in Greece during 1981–2012. The results highlighted the abilities of E‐OBS and Agri4Cast, whose performance varied with season and the specific rainfall characteristic in question. The former product: (1) reproduced better the annual decreasing trends in spring, summer, and autumn, (2) captured a larger portion of the observed monthly variability in spring and summer, associated better and showed the lowest errors with observations, and (3) computed better or equal to Agri4Cast different skill scores applied on the daily time series, replicated better the probabilities of wet and dry days and equally well with Agri4Cast the extreme precipitation indices. Agri4Cast replicated better the monthly cycle of precipitation (underestimating though the station averages) and the increasing trend from SE to NW, on spatial basis. With regards to drought monitoring, frequency and detection of very and extremely wet and dry spells, SPI was superior to SC‐PDSI (the self‐calibrated version of Palmer's index), particularly when E‐OBS data was used. Agri4Cast and E‐OBS are the most appropriate products for use in climate/atmospheric‐related research over Greece.
Mechanistic modeling of ligand density variations on anion exchange chromatography
Authors: Sanchez‐Reyes Gabriela , Graalfs Heiner , Hafner Mathias , Frech Christian 
Published: December 2020

AbstractIon exchange chromatography is a powerful and ubiquitous unit operation in the purification of therapeutic proteins. However, the performance of an ion‐exchange process depends on a complex interrelationship between several parameters, such as protein properties, mobile phase conditions, and chromatographic resin characteristics. Consequently, batch variations of ion exchange resins play a significant role in the robustness of these downstream processing steps. Ligand density is known to be one of the main lot‐to‐lot variations, affecting protein adsorption and separation performance. The use of a model‐based approach can be an effective tool for comprehending the impact of parameter variations (e.g., ligand density) and their influence on the process.The objective of this work was to apply mechanistic modeling to gain a deeper understanding of the influence of ligand density variations in anion exchange chromatography. To achieve this, 13 prototype resins having the same support as the strong anion exchange resin Fractogel® EMD TMAE (M), but differing in ligand density, were analyzed. Linear salt gradient elution experiments were performed to observe the elution behavior of a monoclonal antibody and bovine serum albumin. A proposed isotherm model for ion exchange chromatography, describing the dependence of ligand density variations on protein retention, was successfully applied.
Polymerizations by RAFT: Developments of the Technique and Its Application in the Synthesis of Tailored (Co)polymers
Authors: Semsarilar Mona , Abetz Volker 
Published: December 2020

AbstractReversible addition–fragmentation chain transfer (RAFT) polymerization is an increasingly popular method of controlled radical polymerization and remarkable advances is made in recent years. This polymerization technique offers great chances for more sustainable routes to obtain tailor‐made polymers with high precision. This article may be of interest not only for readers familiar with the technique, but also to newcomers to the field or colleagues, who are looking for more sustainable or safer polymerization techniques to obtain an extensive number of possible polymer structures. After an introduction to RAFT polymerization, different novel paths to carry out RAFT polymerization are discussed in terms of their potential and also advancements in the polymerization technology such as polymerization induced self‐assembly or carrying out the polymerization in continuous flow reactors are highlighted. At the end some upcoming application areas of polymers prepared by RAFT are presented.
Measuring pulmonary gas exchange using compartment‐selective xenon‐polarization transfer contrast (XTC) MRI
Authors: Amzajerdian Faraz , Ruppert Kai , Hamedani Hooman , Baron Ryan , Xin Yi , Loza Luis , Achekzai Tahmina , Duncan Ian F. , Qian Yiwen , Pourfathi Mehrdad , Kadlecek Stephen , Rizi Rahim R. 
Published: December 2020

PurposeTo demonstrate the feasibility of generating red blood cell (RBC) and tissue/plasma (TP)‐specific gas‐phase (GP) depolarization maps using xenon‐polarization transfer contrast (XTC) MR imaging.MethodsImaging was performed in three healthy subjects, an asymptomatic smoker, and a chronic obstructive pulmonary disease (COPD) patient. Single‐breath XTC data were acquired through a series of three GP images using a 2D multi‐slice GRE during a 12 s breath‐hold. A series of 8 ms Gaussian inversion pulses spaced 30 ms apart were applied in‐between the images to quantify the exchange between the GP and dissolved‐phase (DP) compartments. Inversion pulses were either centered on‐resonance to generate contrast, or off‐resonance to correct for other sources of signal loss. For an alternative scheme, inversions of both RBC and TP resonances were inserted in lieu of off‐resonance pulses. Finally, this technique was extended to a multi‐breath protocol consistent with tidal breathing, involving 30 consecutive acquisitions.ResultsInversion pulses shifted off‐resonance by 20 ppm to mimic the distance between the RBC and TP resonances demonstrated selectivity, and initial GP depolarization maps illustrated stark magnitude and distribution differences between healthy and diseased subjects that were consistent with traditional approaches.ConclusionThe proposed DP‐compartment selective XTC MRI technique provides information on gas exchange between all three detectable states of xenon in the lungs and is sufficiently sensitive to indicate differences in lung function between the study subjects. Investigated extensions of this approach to imaging schemes that either minimize breath‐hold duration or the overall number of breath‐holds open avenues for future research to improve measurement accuracy and patient comfort.
Non‐fullerene all small molecule OBHJSCs with profound device characteristics
Authors: Busireddy Manohar Reddy , Appalanaidu Ejjurothu , Bharath Dyaga , Chereddy Narendra Reddy , Shanigaram Balaiah , Sharma Ganesh Datt , Vaidya Jayathirtha Rao 
Published: December 2020

AbstractIn this work, we have reported two donor materials ONAF and SNAF that complement the widely used non‐fullerene acceptor ITIC, with the aim to develop non‐fullerene all small molecule organic bulk heterojunction solar cells (NF‐ASM‐OBHJSCs). Two small molecule donors A‐D‐D'‐D‐A architecture, namely ONAF and SNAF are synthesized and explored their ability to act as donor material along with the ITIC acceptor. Benzodithiophene (BDT) is used as central donor unit (dialkoxy‐BDT for ONAF and Dialkylthiophene‐BDT for SNAF) along with novel naphthodithiophene (NDT) terminal donor to improve light harvesting and charge conducting ability of the donor materials. N‐Butylrhodanine is employed as terminal acceptor to enhance the intramolecular charge transfer (ICT) and to place energy level of the donor materials. Both the small molecule donor materials have good thermal stability, broad and intense absorption displayed in the UV‐vis region with energy levels suitable for ITIC acceptor. NF‐ASM‐OBHJSCs are fabricated by using all small molecules (ONAF & SNAF) as donors and ITIC as acceptor. OBHJSCs based on SNAF displayed superior photovoltaic properties with power conversion efficiency (PCE) as 9.94 % (Jsc = 15.93 mA cm‐2, Voc = 0.96 V and FF = 0.65) compared to ONAF based devices with PCE as 7.48 % (Jsc = 14.93 mA cm‐2, Voc = 0.82 V and FF = 0.61). The substantial high PCE of SANF is attributed to the broad absorption, relatively well‐matched HOMO‐LUMO energy levels between SNAF – ITIC acceptor, better film morphology for efficient charge transport and exciton dissociation at donor/acceptor (D‐A) junction. The observed PCE is one of the best reported for the NDT‐BDT‐based all small molecule non‐fullerene OBHJSCs. Moreover, simplicity in the device fabrication procedures and low energy loss associated are added advantages with the SNAF based devices. We predict that the HOMO‐LUMO levels (CV) of D/A falling in this category, as in Figure S7, with further close energy levels will have implications on the efficiency of OBHJSCs.