bluuebunny/crossref_metadata_2025_split huggingface dataset:
Search for the Active Ingredients from a 2‐Aminothiazole DMSO Stock Solution with Antimalarial Activity
Authors: Ropponen Henni‐Karoliina , Bader Chantal D. , Diamanti Eleonora , Illarionov Boris , Rottmann Matthias , Fischer Markus , Witschel Matthias , Müller Rolf , Hirsch Anna K. H. 
Published: April 2021

AbstractChemical decomposition of DMSO stock solutions is a common incident that can mislead biological screening campaigns. Here, we share our case study of 2‐aminothiazole 1, originating from an antimalarial class that undergoes chemical decomposition in DMSO at room temperature. As previously measured biological activities observed against Plasmodium falciparum NF54 and for the target enzyme PfIspE were not reproducible for a fresh batch, we tackled the challenge to understand where the activity originated from. Solvent‐ and temperature‐dependent studies using HRMS and NMR spectroscopy to monitor the decomposition led to the isolation and in vitro evaluation of several fractions against PfIspE. After four days of decomposition, we successfully isolated the oxygenated and dimerised compounds using SFC purification and correlated the observed activities to them. Due to the unstable nature of the two isolates, it is likely that they undergo further decomposition contributing to the overall instability of the compound.
BMS Derivatives C7‐Linked to β‐Cyclodextrin and Hyperbranched Polyglycerol Retain Activity against R5‐HIV‐1NLAD8 Isolates and Can Be Deemed Potential Microbicides
Authors: Petit Elena , Bosch Lluís , Costa Anna M. , Rodríguez‐Izquierdo Ignacio , Sepúlveda‐Crespo Daniel , Muñoz‐Fernández M. Angeles , Vilarrasa Jaume 
Published: April 2021

AbstractAmides from indole‐3‐glyoxylic acid and 4‐benzoyl‐2‐methylpiperazine, which are related to entry inhibitors developed by Bristol‐Myers Squibb (BMS), have been synthesized with aliphatic chains located at the C7 position of the indole ring. These spacers contain an azido group suitable for the well‐known Cu(I)‐catalyzed (3+2)‐cycloaddition or an activated triple bond for the nucleophilic addition of thiols under physiological conditions. Reaction with polyols (β‐cyclodextrin and hyperbranched polyglycerol) decorated with complementary click partners has afforded polyol‐BMS‐like conjugates that are not cytotoxic (TZM.bl cells) and retain the activity against R5‐HIV‐1NLAD8 isolates. Thus, potential vaginal microbicides based on entry inhibitors, which can be called of 4th generation, are reported here for the first time.
Evaluating the inhibitory priority of Bcl‐xL to Bad, tBid and Bax by using live‐cell imaging assay
Authors: Wu Ge , Tu Zhuang , Yang Fangfang , Mai Zihao , Chen Hongce , Tang Qiling , Ye Xianxin , Wang Kunhao , Wang Xiaoping , Chen Tongsheng 
Published: April 2021

AbstractMolecular regulatory network among the B cell leukemia‐2 (Bcl‐2) family proteins is a research hotspot on apoptosis. The inhibitory priority of anti‐apoptotic Bcl‐2 family proteins (such as Bcl‐xL) to pro‐apoptotic Bcl‐2 family proteins (such as Bad, tBid and Bax) determines the outcome of their interactions. Based on over‐expression model system, we here evaluate the inhibitory priority of Bcl‐xL to Bad, tBid and Bax by using live‐cell imaging assay on cell viability. Fluorescence images of living cells co‐expressing CFP‐Bcl‐xL and YFP‐Bad or YFP‐tBid or YFP‐Bax showed that Bcl‐xL markedly inhibited Bad/tBid/Bax‐mediated apoptosis, revealing that Bcl‐xL inhibits the proapoptotic function of Bad, tBid and Bax. In the case of equimolar co‐expression of Bad and CFP‐Bcl‐xL, the inhibition of Bcl‐xL on tBid/Bax mediate‐apoptosis was completely relieved. Moreover, co‐expression of tBid‐P2A‐CFP‐Bcl‐xL significantly relieved the inhibition of Bcl‐xL on the pro‐apoptotic ability Bax, suggesting that Bcl‐xL preferentially inhibits the pro‐apoptotic ability of Bad over tBid, subsequently to Bax.
Retracted: A hybrid‐supervised learning model for compressive spectrum sensing in fifth generation(5G) cognitive Radio enabled internet of things (IoT) networks
Authors: Jothiraj Sivasankari , Balu Sridevi , Rangaraj Neelaveni 
Published: April 2021

Summary5G Internet of Things (IoT) networks are characterized by wideband radio frequency spectrum utility and are therefore of primary importance for efficient means of sensing the wideband spectrum characterized by high bandwidth. A cognitive radio network (CRN) intelligently does the sensing of authorized users ideal spectrum and allocates the same to the demanded unauthorized user. Conventional energy detection and k‐means schemes associated with CRN perform well for narrowband applications, whereas they are not quite suitable for wideband applications. Hence, a compressive collaborative sensing scheme together with deep neural network learning model (CCS‐DLNN) has been proposed to sense the information from the compressed and reconstructed information signal. Based on the extracted features, decision on presence or absence of primary user (PU) in the received signal has been observed. This paper proposes a deep learning neural network model for learning the dynamic change in the input spectra. Accordingly, this paper also updates the weights associated with the neurons to converge upon the target objective. The performance of the proposed sensing scheme has been evaluated pertaining to probability of detection, sensing error, and accuracy of detection of idle channels. The proposed work will be very useful for the upcoming generation departing to be implemented with 5G IoT networks.
High‐directive monopulse microstrip antenna array for DSRC‐band application
Authors: Patanvariya Deven G. , Chatterjee Anirban 
Published: April 2021

SummaryIn this paper, the authors presented a new technique to generate difference (Δ)‐pattern in microstrip patch antenna array for monopulse applications. In array, the truncated corner single elements are left‐handed and right‐handed circularly polarized. The Δ‐pattern is generated by placing the left‐ and right‐polarized single elements in same direction along y‐axis. The circuit model analysis of a single element and array is presented to analyze the antenna's performance. In order to achieve a lower sidelobe level and stable radiation pattern, a uniform power divider has been designed. Finally, the proposed left‐ and right‐polarized element and array are fabricated and measured. The proposed circularly polarized (CP) elements and array resonates at 5.90 GHz. The array provides null depth of more than −42 dB at
direction in different ϕ cuts. The proposed array has a linear gain of 8.71 dBi and radiation efficiency of 77.25%. Furthermore, the simulated and measured results are well matched, which shows the effectiveness of the proposed way to generate the difference pattern for monopulse application.
Periodontal dysbiosis associates with reduced CSF Aβ42 in cognitively normal elderly
Authors: Kamer Angela R. , Pushalkar Smruti , Gulivindala Deepthi , Butler Tracy , Li Yi , Annam Kumar Raghava Chowdary , Glodzik Lidia , Ballman Karla V. , Corby Patricia M. , Blennow Kaj , Zetterberg Henrik , Saxena Deepak , de Leon Mony J. 
Published: April 2021

AbstractIntroductionPeriodontal disease is a chronic, inflammatory bacterial dysbiosis that is associated with both Alzheimer's disease (AD) and Down syndrome.MethodsA total of 48 elderly cognitively normal subjects were evaluated for differences in subgingival periodontal bacteria (assayed by 16S rRNA sequencing) between cerebrospinal fluid (CSF) biomarker groups of amyloid and neurofibrillary pathology. A dysbiotic index (DI) was defined at the genus level as the abundance ratio of known periodontal bacteria to healthy bacteria. Analysis of variance/analysis of covariance (ANOVA/ANCOVA), linear discriminant effect‐size analyses (LEfSe) were used to determine the bacterial genera and species differences between the CSF biomarker groups.ResultsAt genera and species levels, higher subgingival periodontal dysbiosis was associated with reduced CSF amyloid beta (Aβ)42 (P = 0.02 and 0.01) but not with P‐tau.DiscussionWe show a selective relationship between periodontal disease bacterial dysbiosis and CSF biomarkers of amyloidosis, but not for tau. Further modeling is needed to establish the direct link between oral bacteria and Aβ.
Copper‐Catalyzed Direct Oxidative α‐Alkoxylation of 4‐Isochromanones
Authors: Wu Xiang , Song Shuang‐Gui , Zhang Xin , Fu Yan‐Ming , Zhu Cheng‐Feng , Li You‐Gui 
Published: April 2021

AbstractThe direct oxidative α‐alkoxylation of carbonyl compounds is very important, highly desirable but relatively rare. A general and convenient approach has been developed to prepare 3‐oxy‐4‐isochromanones by copper‐catalyzed α‐C(sp3)−H alkoxylation of 4‐isochromanones with alcohols. The key features are easily available starting materials, mild reaction conditions, broad substrate scope, and excellent regioselectivity.
Spatio‐temporal assessment of the hydrological drivers of an active deep‐seated gravitational slope deformation: The Vögelsberg landslide in Tyrol (Austria)
Authors: Pfeiffer Jan , Zieher Thomas , Schmieder Jan , Rutzinger Martin , Strasser Ulrich 
Published: April 2021

SummarySpatio‐temporal variations of precipitation are presumed to influence the displacement rate of slow‐moving deep‐seated landslides by controlling groundwater recharge, pore‐water pressure and shear strength. Phases of landslide acceleration responding to long‐lasting rainfall and snowmelt events occur under site‐ and event‐specific time delays. Assessing groundwater recharge and simultaneous recording of landslide displacement in a sufficient spatial and temporal resolution is essential to deepen the understanding of mechanisms controlling a landslide's deformation behaviour and is indispensable when it comes to identifying and developing target‐oriented mitigation strategies. The objective of this study was to assess hydrological landslide drivers (solid and liquid precipitation, snowmelt and evapotranspiration) and to investigate their spatio‐temporal distribution in the context of movements recorded at the Vögelsberg landslide (Tyrol, Austria). Hydrometeorological variables were simulated using the AMUNDSEN (Alpine MUltiscale Numerical Distributed Simulation ENgine) hydroclimatological model and landslide movements were continuously monitored using an automated tracking total station. Area‐wide simulated time series of available water were used: (i) to separate them into single landslide triggering hydrometeorological events; (ii) to analyse spatio‐temporal patterns of water availability per triggering event including individual response times; (iii) to delineate an effective hydrological landslide catchment; and (iv) to identify relations between assessed water input and landslide displacement rate. For the observation period from 05‐2016 until 06‐2019 we identified three distinctive hydrometeorological events causing time‐delayed periods of landslide acceleration. Spatio‐temporal differences in water availability per triggering event result in spatially diverse response times varying from 20 to 60 days for rainfall‐triggered events and between 0 and 8 days for events triggered by snowmelt. Pronounced spatio‐temporal differences of snowmelt within the model domain were identified to offer a unique possibility to delineate the effective hydrological landslide catchment. While considering event‐specific time‐lags, logarithmic correlations between incoming water and landslide displacement rate become apparent.
Geomorphic diversity of the Indian sub‐continent: Progress and updates
Authors: Sinha Rajiv 
Published: April 2021

AbstractThis commentary is designed to highlight the recent contributions on Indian geomorphology that have been published in Earth Surface Processes and Landforms (ESPL). A large number of papers included in this commentary have been published as part of the special issue on Indian geomorphology. However, I have taken the liberty of including a few others that appeared in ESPL in the last couple of years. These papers have covered a variety of topics ranging from erosion rates in Himalayan basins, miliolites in peninsular India, flood risk, connectivity concept, socio‐hydrology, and paleoclimatic reconstruction from lake sediments. They have also utilized a wide range of methodologies and tools including fractals, remote sensing, cosmogenic nuclides, and modelling. It is hoped that this commentary will put the diversity of Indian geomorphology in the correct perspective and will encourage geomorphologists across the world to continue their excellent research.
An island arc origin of Jurassic plagiogranite in the Shiquanhe ophiolite, western Bangong Suture, Tibet: Zircon U–Pb chronology, geochemistry, and tectonic implications of Bangong Meso‐Tethys
Authors: Li Wei , Liu Nina , Nayak Ranjit , Ma Yaoliang , Wang Jinjun , Hu Xichong , Pang Jiehui , Huang Weile , Zhong Yun , Liu Weiliang 
Published: April 2021

The plagiogranites in ophiolites are minor in volume but can provide crucial information for the origin and tectonic evolution of ancient oceanic lithosphere. This paper presents the geochronology and geochemistry of a newly discovered plagiogranite in the Shiquanhe ophiolite, from the west end of the Shiquanhe‐Jiali ophiolite sub‐belt, Bangong Suture, central Tibet. Zircon U–Pb dating of two samples yields Middle Jurassic ages (167.4 ± 1.2 Ma and 167.5 ± 1.5 Ma). The plagiogranite has positive whole‐rock εNd(t) (4.2–4.9) and zircon εHf(t) (9.6–14.3) values, high Th/Nb ratios (0.6–2.8) but relatively low La/Nb ratios (0.9–9.9), indicating that it was possibly derived from a depleted mantle with the contribution of minor subducted sediments. The LREE‐enrichment but HREE‐flat patterns with negative Eu anomalies and negative Nb‐Ti anomalies resemble those of shear‐type plagiogranites, which mean that this rock was likely formed by partial melting of metabasite. Combined with the plagiogranite which does not exhibit chilled contacts against the Shiquanhe ophiolitic metabasite, suggests that the plagiogranite may have been derived from the associated ophiolitic metabasite. Geochemical calculating and modelling indicate that the plagiogranite was possibly produced by a low degree (<10%) partial melting of metabasite and replenished by minor sediments melts at low temperature (<800 °C) and low pressure (<0.1 GPa) conditions. The Shiquanhe plagiogranite, together with the contemporaneous Lagkorco plagiogranite in the same ophiolite sub‐belt, indicates that an intra‐oceanic island arc system was developed in the Bangong Meso‐Tethys during the Middle Jurassic.
Red meat consumption, cooking mutagens, NAT1/2 genotypes and pancreatic cancer risk in two ethnically diverse prospective cohorts
Authors: Huang Brian Z. , Wang Songren , Bogumil David , Wilkens Lynne R. , Wu Lang , Blot William J. , Zheng Wei , Shu Xiao‐Ou , Pandol Stephen J. , Le Marchand Loïc , Setiawan Veronica Wendy 
Published: April 2021

AbstractThere is limited evidence on the association between red meat consumption and pancreatic cancer among ethnic minorities. We assessed this relationship in two large prospective cohorts: the Multiethnic Cohort Study (MEC) and the Southern Community Cohort Study (SCCS). Demographic, dietary and other risk factor data were collected at cohort entry. Red meat intake was assessed using cohort‐specific validated food frequency questionnaires. Incident pancreatic cancer cases were identified via linkages to state cancer registries. Cox regression was used to calculate relative risks (RRs) and 95% confidence intervals (CIs) for the association of red meat intake with pancreatic cancer risk in each cohort. We performed additional analyses to evaluate cooking methods, mutagens and effect modification by NAT1/2 genotypes. From a total of 184 542 (MEC) and 66 793 (SCCS) at‐risk participants, we identified 1618 (MEC) and 266 (SCCS) incident pancreatic cancer cases. Red meat consumption was associated with pancreatic cancer risk in the MEC (RRQ4vsQ1 1.18, 95% CI 1.02‐1.37) and with borderline statistical significance in the SCCS (RRQ4vsQ1 1.31, 95% CI 0.93‐1.86). This association was significant in African Americans (RRQ4vsQ1 1.49, 95% CI 1.06‐2.11) and Latinos (RRQ4vsQ1 1.44, 95% CI 1.02‐2.04) in the MEC, and among African Americans (RRQ4vsQ1 1.55, 95% CI 1.03‐2.33) in the SCCS. NAT2 genotypes appeared to modify the relationship between red meat and pancreatic cancer in the MEC (pinteraction = 0.03). Our findings suggest that the associations for red meat may be strongest in African Americans and Latinos. The mechanisms underlying the increased risk for these populations should be further investigated.
The impact of a mother–infant intervention on parenting and infant response to challenge: A pilot randomized controlled trial with adolescent mothers in El Salvador
Authors: Valades Jimena , Murray Lynne , Bozicevic Laura , De Pascalis Leonardo , Barindelli Florencia , Meglioli Alejandra , Cooper Peter 
Published: April 2021

ABSTRACTA pilot randomized controlled trial (RCT) was conducted in El Salvador of an intervention (‘Thula Sana’) previously shown to enhance maternal sensitivity and infant security of attachment in a South African sample. In El Salvador, trained community workers delivered the intervention from late pregnancy to 6 months postpartum as part of a home‐visiting programme. The sample comprised 64 pregnant adolescent women, aged 14–19 years, living in predominantly rural settings. They were randomised to receive either the intervention or normal care. Demographic information was collected at baseline and, immediately post‐intervention, blind assessments were made of parental sensitivity and infant emotion regulation. The intervention was found to have a substantial positive impact on maternal sensitivity. Further, compared to control group, infants in the intervention group showed more regulated behaviour: in a social challenge task they showed more attempts to restore communication, and in a non‐social challenge task they showed more social and goal‐directed behaviour. This replication and extension of the South African findings in a small El Salvador sample shows promise and justifies the conduct of a large‐scale RCT in a Central or South American context.
Is a 20 gauge fenestrated intravenous catheter non‐inferior to a 18 gauge standard catheter for apheresis procedures? A pilot study
Authors: Armendariz Tomas , West James , Olson DaiWai M. , Stutzman Sonja E. , De Simone Nicole 
Published: April 2021

AbstractBackgroundPeripheral venous access has been promoted as the safest, quickest, and most easily achievable route for performing apheresis procedures by the American Society for Apheresis' Choosing Wisely campaign. The current literature regarding catheter size and selection for both draw and return access is limited. Furthermore, the Infusion Nurses Society recommends using the smallest gauge catheter possible for the prescribed therapy in order to limit vein trauma and phlebitis. Since there is a lack of evidence to guide selection of catheter size for return access during therapeutic apheresis procedures (TAPs) for patients with chronic conditions, this pilot study seeks to compare the performance of a 20‐gauge fenestrated (20G) catheter to a standard 18‐gauge (18G) intravenous catheter.MethodsThis non‐inferiority pilot study randomized 26 subjects during 74 TAPs to either 20G fenestrated catheter or 18G standard catheter.ResultsThere were no statistically significant differences for variables associated with the efficiency of the TAPs comparing 20G to 18G catheter for inlet rate (P = .8666), return pressure (P = .9427), blood processed (P = .4318), or total procedure time (P = .3184).ConclusionThe results from this pilot study suggest that 20G fenestrated catheter is non‐inferior to 18G standard catheters. Additional studies with increased power are warranted to confirm these findings.
[10]annulene: Electrocyclization mechanisms
Authors: Palmeiro Raúl , Castaño Obis 
Published: April 2021

AbstractThe mechanism of 6‐π electrocyclization of all‐cis, mono‐trans, and double‐trans [10]annulene to yield 4a,8a‐dihydronaphthalene has been explored at various quantum‐chemical methods. The mono‐trans configuration cyclizes preferentially to trans‐4a,8a‐dihydronaphthalene, in agreement with the experimental results. The cyclization of the all‐cis configuration requires firstly a bond‐shifting to the naphthalene‐like conformation of double‐trans [10]annulene, which is the rate‐limiting step, and finally its azulene‐like conformation electrocyclizes quickly to cis‐4a,8a‐dihydronaphthalene. Its experimental rate coefficient is consistent with the computed one for the cyclization of the all‐cis configuration, unlike the calculated one for the double‐trans configuration. These results confirm the configurations assigned by Masamune et al. to the two isomers which they isolated.
Fast non‐iterative calculation of solvation energies for water and non‐aqueous solvents
Authors: Vyboishchikov Sergei F. , Voityuk Alexander A. 
Published: April 2021

AbstractWe propose an efficient and accurate non‐iterative method, dubbed uESE, for calculating solvation free energies. Apart from a COSMO‐like electrostatic term, the model takes into account non‐electrostatic contributions, which depend on atomic surfaces, induced surface charge densities, and the molecular volume. uESE is tested on 35 polar and 57 non‐polar solvents. The calculated and experimental solvation free energies are compared for 2892 systems. The method exhibits an excellent performance, which is superior to major solvation methods. The mean absolute error of predicted solvation energies is found below 1 kcal/mol for neutral solutes and below 3 kcal/mol for ions. The calculated data are almost independent of the quantum‐chemical method or/and basis sets employed.
Roles of FAM134B in diseases from the perspectives of organelle membrane morphogenesis and cellular homeostasis
Authors: Zhu Luoyi , Wang Xinxia , Wang Yizhen 
Published: April 2021

AbstractFamily with sequence similarity 134 member B (FAM134B)/RETREG1/JK1 is a novel gene with recently reported roles in various diseases. Understanding the function and mechanism of action of FAM134B is necessary to develop disease therapies. Notably, emerging data are clarifying the molecular mechanisms of FAM134B function in organelle membrane morphogenesis and the regulation of signaling pathways, such as the Wnt and AKT signaling pathways. In addition, transcription factors, RNA N6‐methyladenosine‐mediated epigenetic regulation, microRNA, and small molecules are involved in the regulation of FAM134B expression. This review comprehensively considers recent studies on the role of FAM134B and its potential mechanisms in neurodegenerative diseases, obesity, viral diseases, cancer, and other diseases. The functions of FAM134B in maintaining cell homeostasis by regulating Golgi morphology, endoplasmic reticulum autophagy, and mitophagy are also highlighted, which may be the underlying mechanism of FAM134B gene mutation‐induced diseases. Moreover, the molecular mechanisms of the FAM134B function during numerous biological processes are discussed. This review provides novel insights into the functions and mechanisms of FAM134B in various diseases, which will inform the development of effective drugs to treat diseases.