bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photocatalytic three-component asymmetric sulfonylation via direct C(sp3)-H functionalization
Authors: Cao Shi , Hong Wei , Ye Ziqi , Gong Lei 
Published: April 2021

AbstractThe direct and selective C(sp3)-H functionalization of cycloalkanes and alkanes is a highly useful process in organic synthesis owing to the low-cost starting materials, the high step and atom economy. Its application to asymmetric catalysis, however, has been scarcely explored. Herein, we disclose our effort toward this goal by incorporation of dual asymmetric photocatalysis by a chiral nickel catalyst and a commercially available organophotocatalyst with a radical relay strategy through sulfur dioxide insertion. Such design leads to the development of three-component asymmetric sulfonylation involving direct functionalization of cycloalkanes, alkanes, toluene derivatives or ethers. The photochemical reaction of a C(sp3)-H precursor, a SO2 surrogate and a common α,β-unsaturated carbonyl compound proceeds smoothly under mild conditions, delivering a wide range of biologically interesting α-C chiral sulfones with high regio- and enantioselectivity (>50 examples, up to >50:1 rr and 95% ee). This method is applicable to late-stage functionalization of bioactive molecules, and provides an appealing access to enantioenriched compounds starting from the abundant hydrocarbon compounds.
Universal scaling laws of keyhole stability and porosity in 3D printing of metals
Authors: Gan Zhengtao , Kafka Orion L. , Parab Niranjan , Zhao Cang , Fang Lichao , Heinonen Olle , Sun Tao , Liu Wing Kam 
Published: April 2021

AbstractMetal three-dimensional (3D) printing includes a vast number of operation and material parameters with complex dependencies, which significantly complicates process optimization, materials development, and real-time monitoring and control. We leverage ultrahigh-speed synchrotron X-ray imaging and high-fidelity multiphysics modeling to identify simple yet universal scaling laws for keyhole stability and porosity in metal 3D printing. The laws apply broadly and remain accurate for different materials, processing conditions, and printing machines. We define a dimensionless number, the Keyhole number, to predict aspect ratio of a keyhole and the morphological transition from stable at low Keyhole number to chaotic at high Keyhole number. Furthermore, we discover inherent correlation between keyhole stability and porosity formation in metal 3D printing. By reducing the dimensions of the formulation of these challenging problems, the compact scaling laws will aid process optimization and defect elimination during metal 3D printing, and potentially lead to a quantitative predictive framework.
Full-length SMRT transcriptome sequencing and microsatellite characterization in Paulownia catalpifolia
Authors: Feng Yanzhi , Zhao Yang , Zhang Jiajia , Wang Baoping , Yang Chaowei , Zhou Haijiang , Qiao Jie 
Published: April 2021

AbstractPaulownia catalpifolia is an important, fast-growing timber species known for its high density, color and texture. However, few transcriptomic and genetic studies have been conducted in P. catalpifolia. In this study, single-molecule real-time sequencing technology was applied to obtain the full-length transcriptome of P. catalpifolia leaves treated with varying degrees of drought stress. The sequencing data were then used to search for microsatellites, or simple sequence repeats (SSRs). A total of 28.83 Gb data were generated, 25,969 high-quality (HQ) transcripts with an average length of 1624 bp were acquired after removing the redundant reads, and 25,602 HQ transcripts (98.59%) were annotated using public databases. Among the HQ transcripts, 16,722 intact coding sequences, 149 long non-coding RNAs and 179 alternative splicing events were predicted, respectively. A total of 7367 SSR loci were distributed throughout 6293 HQ transcripts, of which 763 complex SSRs and 6604 complete SSRs. The SSR appearance frequency was 28.37%, and the average distribution distance was 5.59 kb. Among the 6604 complete SSR loci, 1–3 nucleotide repeats were dominant, occupying 97.85% of the total SSR loci, of which mono-, di- and tri-nucleotide repeats were 44.68%, 33.86% and 19.31%, respectively. We detected 112 repeat motifs, of which A/T (42.64%), AG/CT (12.22%), GA/TC (9.63%), GAA/TTC (1.57%) and CCA/TGG (1.54%) were most common in mono-, di- and tri-nucleotide repeats, respectively. The length of the repeat SSR motifs was 10–88 bp, and 4997 (75.67%) were ≤ 20 bp. This study provides a novel full-length transcriptome reference for P. catalpifolia and will facilitate the identification of germplasm resources and breeding of new drought-resistant P. catalpifolia varieties.
Lake water based isoscape in central-south Chile reflects meteoric water
Authors: Scott Wesley P. , Contreras Sergio , Bowen Gabriel J. , Arnold T. Elliott , Bustamante-Ortega Ramón , Werne Josef P. 
Published: April 2021

AbstractWarming across the globe is expected to alter the strength and amount of regional precipitation, but there is uncertainty associated with the magnitude of these expected changes, and also how these changes in temperature and the hydrologic cycle will affect humans. For example, the climate in central-south Chile is projected to become significantly warmer and drier over the next several decades in response to anthropogenically driven warming, but these anthropogenic changes are superimposed on natural climate variability. The stable isotope composition of meteoric water provides significant information regarding the moisture source, pathways, and rain-out history of an air mass, but precipitation samples suitable for stable isotope measurements require long-term placement of field equipment making them difficult to obtain. The International Atomic Energy Agency (IAEA) Global Network of Isotopes in Precipitation (GNIP) stations generate isotopic and ancillary data of precipitation from many locations around the world, but remote areas of developing countries like Chile typically have sparse networks of meteorological stations, which inhibit our ability to accurately model regional precipitation. Central-south Chile, in particular, has a sparse network of GNIP stations and, as a result, the isotopic composition of meteoric water is underrepresented in the global database complicating efforts to constrain modern day hydroclimate variability as well as paleohydrologic reconstruction for southern South America. In this study, we measured the stable isotope compositions of hydrogen (δ2H) and oxygen (δ18O) in surface lacustrine waters of central-south Chile to determine what physical and/or climatic features are the dominant controls on lacustrine δ18O and δ2H composition, assess whether or not the isotopic composition of the lakes record time-averaged isotope composition of meteoric water, and determine whether an isoscape map based on lake surface waters could predict the H and O isotope compositions of precipitation at the few GNIP stations in the region.
Study of risk factor of urinary calculi according to the association between stone composition with urine component
Authors: Wang Pan , Zhang Hongxian , Zhou Jiansuo , Jin Shangjia , Liu Chong , Yang Boxin , Cui Liyan 
Published: April 2021

AbstractUrolithiasis is a common urinary disease with high recurrence. The risk factor for the recurrence of calculi is not very clear. The object of the present study was to evaluate the association between calculi composition and urine component and analyse the risk factor for the recurrence of urolithiasis. In this study, a total of 223 patients with calculi and healthy control were enrolled, and the components of the calculi and urina sanguinis collected before surgery were analysed. Of the 223 patients, 157 were males and 66 were females. According to the stone composition, the case group was subdivided into three groups. 129 patients had single calcium oxalate stones, 72 had calcium oxalate stones mixed with other stones and 22 had other type of stones excluding calcium oxalate stones. Urine biochemicals were analysed and the associations were found between the chemicals in each group. Multivariate logistic analysis demonstrated that reduced urinary magnesium and uric oxalic acid were independent risk factors when comparing all cases with normal controls. Only decreased urinary magnesium was found to be a risk factor comparing the single calcium oxalate group with normal control group. Low level of urinary magnesium and uric oxalic acid were found to be risk factors comparing the mixed calcium oxalate group with normal control group. No risk factor was found comparing the other stone group with normal control group. In conclusion, there were clear relationships between stone components and urine chemicals. Urine chemicals might be risk factors to predicate the occurrence of urolithiasis.
Anomalous negative longitudinal magnetoresistance and violation of Ohm's law deep in the topological insulating regime in Bi$$_{1-x}$$Sb$$_x$$
Authors: Vashist Amit , Gopal R. K. , Singh Yogesh 
Published: April 2021

AbstractBi$$_{1-x}$$

1
-
x

Sb$$_x$$

x

is a topological insulator (TI) for $$x \approx 0.03$$

x
≈
0.03

–0.20. Close to the Topological phase transition at $$x = 0.03$$

x
=
0.03

, a magnetic field induced Weyl semi-metal (WSM) state is stabilized due to the splitting of the Dirac cone into two Weyl cones of opposite chirality. A signature of the Weyl state is the observation of a Chiral anomaly [negative longitudinal magnetoresistance (LMR)] and a violation of the Ohm’s law (non-linear $$I{-}V$$

I
-
V

). We report the unexpected discovery of Chiral anomaly-like features in the whole range ($$x = 0.032, 0.072, 0.16$$

x
=
0.032
,
0.072
,
0.16

) of the TI state. This points to a field induced WSM state in an extended x range and not just near the topological transition at $$x = 0.03$$

x
=
0.03

. Surprisingly, the strongest Weyl phase is found at $$x = 0.16$$

x
=
0.16

with a non-saturating negative LMR much larger than observed for $$x = 0.03$$

x
=
0.03

. The negative LMR vanishes rapidly with increasing angle between B and I. Additionally, non-linear I–V is found for $$x = 0.16$$

x
=
0.16

indicating a violation of Ohm’s law. This unexpected observation of a strong Weyl state in the whole TI regime in Bi$$_{1-x}$$

1
-
x

Sb$$_x$$

x

points to a gap in our understanding of the detailed crystal and electronic structure evolution in this alloy system.
Macro- and micro-structural cerebellar and cortical characteristics of cognitive empathy towards fictional characters in healthy individuals
Authors: Picerni Eleonora , Laricchiuta Daniela , Piras Fabrizio , Vecchio Daniela , Petrosini Laura , Cutuli Debora , Spalletta Gianfranco 
Published: April 2021

AbstractFew investigations have analyzed the neuroanatomical substrate of empathic capacities in healthy subjects, and most of them have neglected the potential involvement of cerebellar structures. The main aim of the present study was to investigate the associations between bilateral cerebellar macro- and micro-structural measures and levels of cognitive and affective trait empathy (measured by Interpersonal Reactivity Index, IRI) in a sample of 70 healthy subjects of both sexes. We also estimated morphometric variations of cerebral Gray Matter structures, to ascertain whether the potential empathy-related peculiarities in cerebellar areas were accompanied by structural differences in other cerebral regions. At macro-structural level, the volumetric differences were analyzed by Voxel-Based Morphometry (VBM)- and Region of Interest (ROI)-based approaches, and at a micro-structural level, we analyzed Diffusion Tensor Imaging (DTI) data, focusing in particular on Mean Diffusivity and Fractional Anisotropy. Fantasy IRI-subscale was found to be positively associated with volumes in right cerebellar Crus 2 and pars triangularis of inferior frontal gyrus. The here described morphological variations of cerebellar Crus 2 and pars triangularis allow to extend the traditional cortico-centric view of cognitive empathy to the cerebellar regions and indicate that in empathizing with fictional characters the cerebellar and frontal areas are co-recruited.
Determining the optimal pulse number for theta burst induced change in cortical excitability
Authors: McCalley Daniel M. , Lench Daniel H. , Doolittle Jade D. , Imperatore Julia P. , Hoffman Michaela , Hanlon Colleen A. 
Published: April 2021

AbstractTheta-burst stimulation (TBS) is a form of non-invasive neuromodulation which is delivered in an intermittent (iTBS) or continuous (cTBS) manner. Although 600 pulses is the most common dose, the goal of these experiments was to evaluate the effect of higher per-dose pulse numbers on cortical excitability. Sixty individuals were recruited for 2 experiments. In Experiment 1, participants received 600, 1200, 1800, or sham (600) iTBS (4 visits, counterbalanced, left motor cortex, 80% active threshold). In Experiment 2, participants received 600, 1200, 1800, 3600, or sham (600) cTBS (5 visits, counterbalanced). Motor evoked potentials (MEP) were measured in 10-min increments for 60 min. For iTBS, there was a significant interaction between dose and time (F = 3.8296, p = 0.01), driven by iTBS (1200) which decreased excitability for up to 50 min (t = 3.1267, p = 0.001). For cTBS, there was no overall interaction between dose and time (F = 1.1513, p = 0.33). Relative to sham, cTBS (3600) increased excitability for up to 60 min (t = 2.0880, p = 0.04). There were no other significant effects of dose relative to sham in either experiment. Secondary analyses revealed high within and between subject variability. These results suggest that iTBS (1200) and cTBS (3600) are, respectively, the most effective doses for decreasing and increasing cortical excitability.
Division of labor in work shifts by leaf-cutting ants
Authors: Constantino Pedro B. , Valentinuzzi Veronica S. , Helene André F. 
Published: April 2021

AbstractForaging rhythms in eusocial insects are determined by the colony´s overall pattern. However, in leaf-cutting ant workers, individual rhythms are not fully synchronized with the colonies’ rhythm. The colony as a whole is nocturnal, since most worker activity takes place at night; however some workers forage during the day. Previous studies in individualized ants suggest nocturnal and diurnal workers coexistence. Here observations within the colony, in leaf-cutting ants, showed that workers have differential foraging time preference, which interestingly is associated to body size and differential leaf transportation engagement. Nocturnal ants are smaller and less engaged in leaf transportation whereas diurnal ants are bigger and more engaged in leaf carriage. Mechanisms underlying division of labor in work shifts in ants are still unknown but much can be extrapolated from honeybees; another social system bearing a similar pattern. A collective organization like this favors constant exploitation of food sources while preserving natural individual rhythm patterns, which arise from individual differences, and thermal tolerance, given by the size polymorphism presented by this species.
Characterization of the upstream and intron promoters of the gene encoding TAR DNA-binding protein
Authors: Hasegawa-Ogawa Minami , Okano Hirotaka James 
Published: April 2021

AbstractTAR DNA-binding protein (TDP-43, encoded by TARDBP) is a multifunctional protein that regulates transcription and RNA metabolism by binding DNA or RNA. TDP-43 has been implicated in the pathogenesis of amyotrophic lateral sclerosis (ALS) because abnormal accumulation of cleaved and phosphorylated C-terminal fragments of TDP-43 in motor neurons is a pathological hallmark of ALS. Here, we cloned and analyzed the promoter region of the TARDBP gene. TARDBP upstream sequences and/or intron/luciferase constructs were generated, and their promoter activity was experimentally assessed. The upstream region predictably exhibited promoter activity and identified putative cis-acting elements, including the i-motif, was relevant for the regulation of TDP-43 expression. The cellular abundance of TDP-43 is strictly controlled, and its constancy is critically important for motor neuron survival. A machinery serving to maintain a constant level of TDP-43 is autoregulation via control of mRNA stability, a negative feedback system involving binding to the 3′ untranslated region of its own pre-mRNA. However, whether transcriptional mechanisms contribute to TDP-43 autoregulation is unclear. We further showed that TDP-43 negatively regulates the TARDBP promoter and, surprisingly, that disease-causing TDP-43 mutants lacked this regulatory activity. These results allowed the elucidation of a novel transcriptional autoregulatory mechanism of TDP-43.
Chikungunya virus entry is strongly inhibited by phospholipase A2 isolated from the venom of Crotalus durissus terrificus
Authors: Santos Igor Andrade , Shimizu Jacqueline Farinha , de Oliveira Débora Moraes , Martins Daniel Oliveira Silva , Cardoso-Sousa Léia , Cintra Adélia Cristina Oliveira , Aquino Victor Hugo , Sampaio Suely Vilela , Nicolau-Junior Nilson , Sabino-Silva Robinson , Merits Andres , Harris Mark , Jardim Ana Carolina Gomes 
Published: April 2021

AbstractChikungunya virus (CHIKV) is the etiologic agent of Chikungunya fever, a globally spreading mosquito-borne disease. There is no approved antiviral or vaccine against CHIKV, highlighting an urgent need for novel therapies. In this context, snake venom proteins have demonstrated antiviral activity against several viruses, including arboviruses which are relevant to public health. In particular, the phospholipase A2CB (PLA2CB), a protein isolated from the venom of Crotalus durissus terrificus was previously shown to possess anti-inflammatory, antiparasitic, antibacterial and antiviral activities. In this study, we investigated the multiple effects of PLA2CB on the CHIKV replicative cycle in BHK-21 cells using CHIKV-nanoluc, a marker virus carrying nanoluciferase reporter. The results demonstrated that PLA2CB possess a strong anti-CHIKV activity with a selectivity index of 128. We identified that PLA2CB treatment protected cells against CHIKV infection, strongly impairing virus entry by reducing adsorption and post-attachment stages. Moreover, PLA2CB presented a modest yet significant activity towards post-entry stages of CHIKV replicative cycle. Molecular docking calculations indicated that PLA2CB may interact with CHIKV glycoproteins, mainly with E1 through hydrophobic interactions. In addition, infrared spectroscopy measurements indicated interactions of PLA2CB and CHIKV glycoproteins, corroborating with data from in silico analyses. Collectively, this data demonstrated the multiple antiviral effects of PLA2CB on the CHIKV replicative cycle, and suggest that PLA2CB interacts with CHIKV glycoproteins and that this interaction blocks binding of CHIKV virions to the host cells.
Effect of linagliptin on glucose metabolism and pancreatic beta cell function in patients with persistent prediabetes after metformin and lifestyle
Authors: Alvarez-Canales Mildred Fátima de la Luz , Salazar-López Sara Stephania , Farfán-Vázquez Diana , Martínez-López Yosceline Estrella , González-Mena Jessica Noemí , Jiménez-Ceja Lilia Marisela , Vargas-Ortiz Katya , Evia-Viscarra María Lola , Montes de Oca-Loyola María Luisa , Folli Franco , Aguilar-García Alberto , Guardado-Mendoza Rodolfo 
Published: April 2021

AbstractThe goal of the study was to evaluate the effect of adding linagliptin to metformin and lifestyle on glucose levels and pancreatic β-cell function in patients with persistent impaired glucose tolerance (IGT) after 12 months of metformin and lifestyle. A single center parallel double-blind randomized clinical trial with 6 months of follow-up was performed in patients with persistent IGT after 12 months of treatment with metformin and lifestyle; patients were randomized to continue with metformin 850 mg twice daily (M group, n = 12) or linagliptin/metformin 2.5/850 mg twice daily (LM group, n = 19). Anthropometric measurements were obtained by standard methods and by bioelectrical impedance; glucose was measured by dry chemistry, insulin by chemiluminescence, and pancreatic β-cell function was calculated with the disposition index using glucose and insulin values during oral glucose tolerance test (OGTT) and adjusting by insulin sensitivity. The main outcomes were glucose levels during OGTT and pancreatic β-cell function. Patients in the LM group had a reduction in weight (−1.7 ± 0.6, p < 0.05) and body mass index (BMI, −0.67 ± 0.2, p < 0.05). Glucose levels significantly improved in LM group with a greater reduction in the area under the glucose curve during OGTT (AUCGluc0_120min) as compared to the M group (−4425 ± 871 vs −1116 ± 1104 mg/dl/120 min, p < 0.001). Pancreatic β-cell function measured with the disposition index, improved only in LM group (2.3 ± 0.23 vs 1.7 ± 0.27, p 0.001); these improvements persisted after controlling for OGTT glucose levels. The differences in pancreatic β-cell function persisted also after pairing groups for basal AUCGluc0_120min. The addition of linagliptin to patients with persistent IGT after 12 months of treatment with metformin and lifestyle, improved glucose levels during OGTT and pancreatic β-cell function after 6 months of treatment.Trial registration: Clinicaltrials.gov with the ID number NCT04088461
Transcriptome integrated metabolic modeling of carbon assimilation underlying storage root development in cassava
Authors: Kamsen Ratchaprapa , Kalapanulak Saowalak , Chiewchankaset Porntip , Saithong Treenut 
Published: April 2021

AbstractThe existing genome-scale metabolic model of carbon metabolism in cassava storage roots, rMeCBM, has proven particularly resourceful in exploring the metabolic basis for the phenotypic differences between high and low-yield cassava cultivars. However, experimental validation of predicted metabolic fluxes by carbon labeling is quite challenging. Here, we incorporated gene expression data of developing storage roots into the basic flux-balance model to minimize infeasible metabolic fluxes, denoted as rMeCBMx, thereby improving the plausibility of the simulation and predictive power. Three different conceptual algorithms, GIMME, E-Flux, and HPCOF were evaluated. The rMeCBMx-HPCOF model outperformed others in predicting carbon fluxes in the metabolism of storage roots and, in particular, was highly consistent with transcriptome of high-yield cultivars. The flux prediction was improved through the oxidative pentose phosphate pathway in cytosol, as has been reported in various studies on root metabolism, but hardly captured by simple FBA models. Moreover, the presence of fluxes through cytosolic glycolysis and alanine biosynthesis pathways were predicted with high consistency with gene expression levels. This study sheds light on the importance of prediction power in the modeling of complex plant metabolism. Integration of multi-omics data would further help mitigate the ill-posed problem of constraint-based modeling, allowing more realistic simulation.