bluuebunny/crossref_metadata_2025 huggingface dataset:
Satellite Observations Reveal a Large CO Emission Discrepancy From Industrial Point Sources Over China
Authors: Tian Yuan , Liu Cheng , Sun Youwen , Borsdorff Tobias , Landgraf Jochen , Lu Xiao , Palm Mathias , Notholt Justus
Published: March 2022

Irregular industrial Carbon monoxide (CO) emissions not only deteriorate global atmospheric environment but also add a large uncertainty to CO emission inventory. This work demonstrates the potentiality of the Tropospheric Monitoring Instrument (TROPOMI) data product to derive CO emissions from facility‐level industrial sources. We have demonstrated CO emission estimates of 14 randomly selected facility‐level industrial sources over China with uncertainties of 10%–35% from TROPOMI archive between 2017 and 2020. We found that most of the plumes reveal significantly larger emissions than the registered inventory values. The simplicity of the demonstrated plume quantification method makes it easily applicable everywhere around the globe. This study suggests that future CO satellite constellation can routinely observe point source CO emissions to support environment policy.
A Reference Section Through Fast‐Spread Lower Oceanic Crust, Wadi Gideah, Samail Ophiolite (Sultanate of Oman): Trace Element Systematics and REE Crystallization Temperatures—Implications for Hybrid Crustal Accretion
Authors: Müller Samuel , Garbe‐Schönberg Dieter , Koepke Jürgen , Hoernle Kaj
Published: March 2022

Oceanic gabbros are the most abundant rocks close to Earth's surface. Here we present new data from a consistent profile through the paleocrust of the Samail Ophiolite (Oman), which is thought to provide the best analog for modern fast‐spreading oceanic crust. Incompatible trace elements of co‐existing plagioclase and clinopyroxene fractionate from the mineral core to rim and up section from layered to foliated to varitextured gabbros. Layered gabbro parental melts correspond to mid‐ocean‐ridge basalts (MORB), and plagioclase Ca# shows a pronounced inverse zonation. Likely, they crystallized in situ from hydrous melts, compositionally buffered by replenishment at equilibrium to MORB and near steady‐state boundary conditions. Further upsection, the compositional variability increases. Foliated gabbro rim and core compositions indicate increased fractionation and disequilibrium to MORB, triggered by open‐system fractional crystallization within a heterogeneous magma plumbing structure, characterized by magma mixing, varying ambient water activities, and boundary conditions. Varitextured gabbros are chemically diverse with parental melts partially more primitive than MORB, suggesting that primitive melts directly reach the axial melt lens (AML). REE‐in‐plagioclase‐clinopyroxene thermometry compared to and supported by anorthite‐in‐plagioclase thermometry reveals a relationship of [°C] = 6.1 ± 0.2 × An + 706 ± 19. Crystallization temperatures of the layered gabbros cover a narrow range of 1216 ± 14°C. Considerable temperature variability of 1077–1231°C is observed further upsection, featuring a thermal minimum within the foliated gabbros. This minimum is assumed to represent a zone where the fractionated descending crystal mushes originating from the AML meet with evolved liquids expelled from deeper crustal levels. Our findings suggest hybrid accretion of fast‐spread crust.
A Framework to Evaluate Convective Aggregation: Examples With Different Microphysics Schemes
Authors: Huang Jin‐De , Wu Chien‐Ming
Published: March 2022

This study introduces a modeling framework to evaluate convective aggregation (CA) under radiative‐convective equilibrium simulations using the vector vorticity equation cloud‐resolving model (VVM) coupled to a mixed‐layer slab ocean. The framework introduces the competing effects between the convection‐sea surface temperature (SST) feedback (CSF) and the moisture‐convection feedback (MCF) by modifying the initial SST gradient and the mixed layer depth. Examples of applying this framework are demonstrated by comparing simulations with different microphysics schemes. The conventional five‐category scheme (VVM‐Lin) and the predicted particle properties scheme (P3) are examined by the matrix formed by these two factors. A clear bifurcation of the aggregated/non‐aggregated states can be identified in both sets of experiments. The change of the bifurcation between two sets of experiments suggests that the P3 experiments tend to develop CA due to the stronger MCF. The budget analysis of spatial frozen moist static energy variance is applied to quantify the stronger MCF in the P3 simulations. Convective systems in P3 simulations develop more organized structures, which enhances MCF and leads to CA. The proposed modeling framework provides a reconciled view of the process‐based evaluation of CA among cloud‐resolving models that use different dynamics and physical parameterizations.
Water Footprint Analysis Under Dual Pressures of Carbon Mitigation and Trade Barrier: A CGE‐Based Study for Yangtze River Economic Belt
Authors: Fu Yupeng , Huang Guohe , Zhai Mengyu , Li Jianyong , Pan Xiaojie
Published: March 2022

Facing the dual pressures of carbon mitigation and trade barrier, it is desired that variations of water footprints (WFs) with the related policy interferences be investigated in Yangtze River Economic Belt (YREB). In this study, a factorial equilibrium WFs model is developed to (a) tackle the interactive effects (on blue‐ and gray‐WFs) of different policy alternatives presented as multiple levels of carbon tax and import tariff; (b) explore the variations of blue‐ and gray‐WFs in specific socio‐economic sectors under multiple scenarios of the dual pressures; and (c) investigate the provincial WFs from the perspective of commodity consumption. It is found that increased import tariffs can boost the WFs of primary energy and resource‐conversion sectors, and can promote inter‐sectoral virtual‐water exchanges; carbon tax can suppress the WFs for most of the sectors, and can result in entirely declined industrial production. Moreover, carbon tax can lead to reduced water productivity in YREB, and thus exacerbate water shortage. Through this research, desired policies for water‐footprint management policies could be identified with maximized socio‐economic and environmental benefits.
Strength and Memory of Precipitation's Control Over Streamflow Across the Conterminous United States
Authors: Moges Edom , Ruddell Benjamin L. , Zhang Liang , Driscoll Jessica M. , Larsen Laurel G.
Published: March 2022

How precipitation (P) is translated into streamflow (Q) and over what timescales (i.e., “memory”) is difficult to predict without calibration of site‐specific models or using geochemical approaches, posing barriers to prediction in ungauged basins or advancement of general theories. Here, we used a data‐driven approach to identify regional patterns and exogenous controls on P–Q interactions. We applied an information flow analysis, which quantifies uncertainty reduction, to a daily time series of P and Q from 671 watersheds across the conterminous United States. We first demonstrated that information transfer from P to Q primarily reflects the quickflow component of water‐budgets, based on a watershed model. Readily quantifiable information flows show a functional relationship with model parameters, suggesting utility for model calibration. Second, applied to real watersheds, P–Q information flows exhibit seasonally varying behavior within regions in a manner consistent with dominant runoff generation mechanisms. However, the timing and the magnitude of information flows also reflect considerable subregional heterogeneity, likely attributable to differences in watershed size, baseflow contributions, and variation in aerial coverage of preferential flow paths. A regression analysis showed that a combination of climate and watershed characteristics are predictive of P–Q information flows. Though information flows cannot, in most cases, uniquely determine dominant runoff mechanisms, they provide a means to quantify the heterogeneous outcomes of those mechanisms within regions, thereby serving as a benchmarking tool for models developed at the regional scale. Last, information flows characterize regionally specific ways in which catchment connectivity changes from the wet to dry season.
The Universal Eating Monitor (UEM): objective assessment of food intake behavior in the laboratory setting
Authors: Kissileff Harry R.
Published: March 2022

The Universal Eating Monitor was a term used to describe a device used in a laboratory setting that enabled investigators to measure, with the same instrument, the rate of eating either solids or liquids, hence the term “universal”. It consisted of an electronic balance placed in a false panel under a table cloth on which could be placed a food reservoir that contained either solid or liquefied food. The device was created in order to determine whether rates of eating differed in pattern between solid and liquid foods. An acceptable mixture of foods of identical composition that could be served as either solid or blended as a liquid was used to test the hypothesis that eating rate and intake were affected by physical composition. A best-fitting mathematical function (intake was quadratic function of time, with coefficients varying among foods used and experimental conditions), quantified intake rates. The device was used to test a variety of mechanisms underlying food intake control. Eating rates were linear when solid foods were used, but negatively accelerated with liquids. Overall, intake did not differ between solid and liquefied food of identical composition. Satiation on a calorie for calorie basis was different among foods, but physical composition interacted with energy density. Hormones and gastric distension were strong influences on food intake and rate of eating. Individuals with bulimia nervosa and binge eating disorder ate more than individuals without these disturbances. Intake in social and individual contexts was identical, but the rate of eating was slower when two individuals dined together. The eating monitor has been a useful instrument for elucidating controls of food intake and describing eating pathology.
Transient measurement of phononic states with covariance-based stochastic spectroscopy
Authors: Sparapassi Giorgia , Cavaletto Stefano M. , Tollerud Jonathan , Montanaro Angela , Glerean Filippo , Marciniak Alexandre , Giusti Fancesca , Mukamel Shaul , Fausti Daniele
Published: March 2022

We present a novel approach to transient Raman spectroscopy, which combines stochastic probe pulses and a covariance-based detection to measure stimulated Raman signals in alpha-quartz. A coherent broadband pump is used to simultaneously impulsively excite a range of different phonon modes, and the phase, amplitude, and energy of each mode are independently recovered as a function of the pump–probe delay by a noisy-probe and covariance-based analysis. Our experimental results and the associated theoretical description demonstrate the feasibility of 2D-Raman experiments based on the stochastic-probe schemes, with new capabilities not available in equivalent mean-value-based 2D-Raman techniques. This work unlocks the gate for nonlinear spectroscopies to capitalize on the information hidden within the noise and overlooked by a mean-value analysis.
Healthcare professionals’ perceptions of implementing a decision support intervention for cascade screening for beta-thalassemia in Pakistan
Authors: Ahmed Shenaz , Jafri Hussain , Ahmed Wajeeha Naseer , Faran Muhammed , Rashid Yasmin , Ehsan Yasmin , Ahmed Mushtaq
Published: March 2022

Counselling relatives of individuals with βeta-Thalassaemia Major (β-TM) about cascade screening is the role of field officers (FOs) in the Punjab Thalassaemia Prevention Project (PTPP). This paper presents FOs’ views about using a ‘decision support intervention for relatives’ (DeSIRe) to facilitate informed decision making, and their perception of its implementation and sustainability. Semi-structured qualitative interviews were conducted with nine FOs (June to July 2021) in seven cities in the Punjab province (Lahore, Sheikhupura, Nankana Sahab, Kasur, Gujranwala, Multan, and Faisalabad) following its use in routine clinical practice. Thematic analysis shows that the FOs were overwhelmingly supportive of the DeSIRe, expressing enthusiasm and identifying benefits of its use, both for their own practice and for relatives. They supported the aim of the intervention to enable them to facilitate relatives’ decision-making about cascade screening, and advocated its use more widely within the PTPP and the other provinces of Pakistan. Overall, the DeSIRe was valued by the FOs for use in routine practice. These findings suggest the DeSIRe is highly likely to be implemented by healthcare professionals more widely in the PTPP and, therefore, is worth evaluating to prove its efficacy. Further research is needed on the extent to which the DeSIRe could be adapted for use by other healthcare professionals with similar responsibilities in the other provinces of Pakistan, and in other low-middle income countries.
Pick up and dispose of pollutants from water via temperature-responsive micellar copolymers on magnetite nanorobots
Authors: Vaghasiya Jayraj V. , Mayorga-Martinez Carmen C. , Matějková Stanislava , Pumera Martin
Published: March 2022

Nano/micromotor technology is evolving as an effective method for water treatment applications in comparison to existing static mechanisms. The dynamic nature of the nano/micromotor particles enable faster mass transport and a uniform mixing ensuring an improved pollutant degradation and removal. Here we develop thermosensitive magnetic nanorobots (TM nanorobots) consisting of a pluronic tri-block copolymer (PTBC) that functions as hands for pollutant removal. These TM nanorobots are incorporated with iron oxide (Fe3O4) nanoparticles as an active material to enable magnetic propulsion. The pickup and disposal of toxic pollutants are monitored by intermicellar agglomeration and separation of PTBC at different temperatures. The as-prepared TM nanorobots show excellent arsenic and atrazine removal efficiency. Furthermore, the adsorbed toxic contaminants on the TM nanorobots can be disposed by a simple cooling process and exhibit good recovery retention after multiple reuse cycles. This combination of temperature sensitive aggregation/separation coupled with magnetic propulsion opens a plethora of opportunities in the applicability of nanorobots in water treatment and targeted pollutant removal approaches.
Robust Mendelian randomization in the presence of residual population stratification, batch effects and horizontal pleiotropy
Authors: Cinelli Carlos , LaPierre Nathan , Hill Brian L. , Sankararaman Sriram , Eskin Eleazar
Published: March 2022

Mendelian Randomization (MR) studies are threatened by population stratification, batch effects, and horizontal pleiotropy. Although a variety of methods have been proposed to mitigate those problems, residual biases may still remain, leading to highly statistically significant false positives in large databases. Here we describe a suite of sensitivity analysis tools that enables investigators to quantify the robustness of their findings against such validity threats. Specifically, we propose the routine reporting of sensitivity statistics that reveal the minimal strength of violations necessary to explain away the MR results. We further provide intuitive displays of the robustness of the MR estimate to any degree of violation, and formal bounds on the worst-case bias caused by violations multiple times stronger than observed variables. We demonstrate how these tools can aid researchers in distinguishing robust from fragile findings by examining the effect of body mass index on diastolic blood pressure and Townsend deprivation index.
Reversible dehydrogenation and rehydrogenation of cyclohexane and methylcyclohexane by single-site platinum catalyst
Authors: Chen Luning , Verma Pragya , Hou Kaipeng , Qi Zhiyuan , Zhang Shuchen , Liu Yi-Sheng , Guo Jinghua , Stavila Vitalie , Allendorf Mark D. , Zheng Lansun , Salmeron Miquel , Prendergast David , Somorjai Gabor A. , Su Ji
Published: March 2022

Developing highly efficient and reversible hydrogenation-dehydrogenation catalysts shows great promise for hydrogen storage technologies with highly desirable economic and ecological benefits. Herein, we show that reaction sites consisting of single Pt atoms and neighboring oxygen vacancies (VO) can be prepared on CeO2 (Pt1/CeO2) with unique catalytic properties for the reversible dehydrogenation and rehydrogenation of large molecules such as cyclohexane and methylcyclohexane. Specifically, we find that the dehydrogenation rate of cyclohexane and methylcyclohexane on such sites can reach values above 32,000 molH2 molPt−1 h−1, which is 309 times higher than that of conventional supported Pt nanoparticles. Combining of DRIFTS, AP-XPS, EXAFS, and DFT calculations, we show that the Pt1/CeO2 catalyst exhibits a super-synergistic effect between the catalytic Pt atom and its support, involving redox coupling between Pt and Ce ions, enabling adsorption, activation and reaction of large molecules with sufficient versatility to drive abstraction/addition of hydrogen without requiring multiple reaction sites.
Mutation-specific reporter for optimization and enrichment of prime editing
Authors: Schene I. F. , Joore I. P. , Baijens J. H. L. , Stevelink R. , Kok G. , Shehata S. , Ilcken E. F. , Nieuwenhuis E. C. M. , Bolhuis D. P. , van Rees R. C. M. , Spelier S. A. , van der Doef H. P. J. , Beekman J. M. , Houwen R. H. J. , Nieuwenhuis E. E. S. , Fuchs S. A.
Published: March 2022

Prime editing is a versatile genome-editing technique that shows great promise for the generation and repair of patient mutations. However, some genomic sites are difficult to edit and optimal design of prime-editing tools remains elusive. Here we present a fluorescent prime editing and enrichment reporter (fluoPEER), which can be tailored to any genomic target site. This system rapidly and faithfully ranks the efficiency of prime edit guide RNAs (pegRNAs) combined with any prime editor variant. We apply fluoPEER to instruct correction of pathogenic variants in patient cells and find that plasmid editing enriches for genomic editing up to 3-fold compared to conventional enrichment strategies. DNA repair and cell cycle-related genes are enriched in the transcriptome of edited cells. Stalling cells in the G1/S boundary increases prime editing efficiency up to 30%. Together, our results show that fluoPEER can be employed for rapid and efficient correction of patient cells, selection of gene-edited cells, and elucidation of cellular mechanisms needed for successful prime editing.
The Glycolytic Gatekeeper PDK1 defines different metabolic states between genetically distinct subtypes of human acute myeloid leukemia
Authors: Erdem Ayşegül , Marin Silvia , Pereira-Martins Diego A. , Cortés Roldán , Cunningham Alan , Pruis Maurien G. , de Boer Bauke , van den Heuvel Fiona A. J. , Geugien Marjan , Wierenga Albertus T. J. , Brouwers-Vos Annet Z. , Rego Eduardo M. , Huls Gerwin , Cascante Marta , Schuringa Jan Jacob
Published: March 2022

Acute myeloid leukemia remains difficult to treat due to strong genetic heterogeneity between and within individual patients. Here, we show that Pyruvate dehydrogenase kinase 1 (PDK1) acts as a targetable determinant of different metabolic states in acute myeloid leukemia (AML). PDK1low AMLs are OXPHOS-driven, are enriched for leukemic granulocyte-monocyte progenitor (L-GMP) signatures, and are associated with FLT3-ITD and NPM1cyt mutations. PDK1high AMLs however are OXPHOSlow, wild type for FLT3 and NPM1, and are enriched for stemness signatures. Metabolic states can even differ between genetically distinct subclones within individual patients. Loss of PDK1 activity releases glycolytic cells into an OXPHOS state associated with increased ROS levels resulting in enhanced apoptosis in leukemic but not in healthy stem/progenitor cells. This coincides with an enhanced dependency on glutamine uptake and reduced proliferation in vitro and in vivo in humanized xenograft mouse models. We show that human leukemias display distinct metabolic states and adaptation mechanisms that can serve as targets for treatment.
Methionine adenosyltransferase 1a antisense oligonucleotides activate the liver-brown adipose tissue axis preventing obesity and associated hepatosteatosis
Authors: Sáenz de Urturi Diego , Buqué Xabier , Porteiro Begoña , Folgueira Cintia , Mora Alfonso , Delgado Teresa C. , Prieto-Fernández Endika , Olaizola Paula , Gómez-Santos Beatriz , Apodaka-Biguri Maider , González-Romero Francisco , Nieva-Zuluaga Ane , Ruiz de Gauna Mikel , Goikoetxea-Usandizaga Naroa , García-Rodríguez Juan Luis , Gutierrez de Juan Virginia , Aurrekoetxea Igor , Montalvo-Romeral Valle , Novoa Eva M. , Martín-Guerrero Idoia , Varela-Rey Marta , Bhanot Sanjay , Lee Richard , Banales Jesus M. , Syn Wing-Kin , Sabio Guadalupe , Martínez-Chantar María L. , Nogueiras Rubén , Aspichueta Patricia
Published: March 2022

Altered methionine metabolism is associated with weight gain in obesity. The methionine adenosyltransferase (MAT), catalyzing the first reaction of the methionine cycle, plays an important role regulating lipid metabolism. However, its role in obesity, when a plethora of metabolic diseases occurs, is still unknown. By using antisense oligonucleotides (ASO) and genetic depletion of Mat1a, here, we demonstrate that Mat1a deficiency in diet-induce obese or genetically obese mice prevented and reversed obesity and obesity-associated insulin resistance and hepatosteatosis by increasing energy expenditure in a hepatocyte FGF21 dependent fashion. The increased NRF2-mediated FGF21 secretion induced by targeting Mat1a, mobilized plasma lipids towards the BAT to be catabolized, induced thermogenesis and reduced body weight, inhibiting hepatic de novo lipogenesis. The beneficial effects of Mat1a ASO were abolished following FGF21 depletion in hepatocytes. Thus, targeting Mat1a activates the liver-BAT axis by increasing NRF2-mediated FGF21 secretion, which prevents obesity, insulin resistance and hepatosteatosis.
ADAP1 promotes latent HIV-1 reactivation by selectively tuning KRAS–ERK–AP-1 T cell signaling-transcriptional axis
Authors: Ramirez Nora-Guadalupe P. , Lee Jeon , Zheng Yue , Li Lianbo , Dennis Bryce , Chen Didi , Challa Ashwini , Planelles Vicente , Westover Kenneth D. , Alto Neal M. , D’Orso Iván
Published: March 2022

Immune stimulation fuels cell signaling-transcriptional programs inducing biological responses to eliminate virus-infected cells. Yet, retroviruses that integrate into host cell chromatin, such as HIV-1, co-opt these programs to switch between latent and reactivated states; however, the regulatory mechanisms are still unfolding. Here, we implemented a functional screen leveraging HIV-1’s dependence on CD4+ T cell signaling-transcriptional programs and discovered ADAP1 is an undescribed modulator of HIV-1 proviral fate. Specifically, we report ADAP1 (ArfGAP with dual PH domain-containing protein 1), a previously thought neuronal-restricted factor, is an amplifier of select T cell signaling programs. Using complementary biochemical and cellular assays, we demonstrate ADAP1 inducibly interacts with the immune signalosome to directly stimulate KRAS GTPase activity thereby augmenting T cell signaling through targeted activation of the ERK–AP-1 axis. Single cell transcriptomics analysis revealed loss of ADAP1 function blunts gene programs upon T cell stimulation consequently dampening latent HIV-1 reactivation. Our combined experimental approach defines ADAP1 as an unexpected tuner of T cell programs facilitating HIV-1 latency escape.
Modeling assortative mating and genetic similarities between partners, siblings, and in-laws
Authors: Torvik Fartein Ask , Eilertsen Espen Moen , Hannigan Laurie J. , Cheesman Rosa , Howe Laurence J. , Magnus Per , Reichborn-Kjennerud Ted , Andreassen Ole A. , Njølstad Pål R. , Havdahl Alexandra , Ystrom Eivind
Published: March 2022

Assortative mating on heritable traits can have implications for the genetic resemblance between siblings and in-laws in succeeding generations. We studied polygenic scores and phenotypic data from pairs of partners (n = 26,681), siblings (n = 2,170), siblings-in-law (n = 3,905), and co-siblings-in-law (n = 1,763) in the Norwegian Mother, Father and Child Cohort Study. Using structural equation models, we estimated associations between measurement error-free latent genetic and phenotypic variables. We found evidence of genetic similarity between partners for educational attainment (rg = 0.37), height (rg = 0.13), and depression (rg = 0.08). Common genetic variants associated with educational attainment correlated between siblings above 0.50 (rg = 0.68) and between siblings-in-law (rg = 0.25) and co-siblings-in-law (rg = 0.09). Indirect assortment on secondary traits accounted for partner similarity in education and depression, but not in height. Comparisons between the genetic similarities of partners and siblings indicated that genetic variances were in intergenerational equilibrium. This study shows genetic similarities between extended family members and that assortative mating has taken place for several generations.
The impact of age and nodal status on variations in oncotype DX testing and adjuvant treatment
Authors: Iles Kathleen , Roberson Mya L. , Spanheimer Philip , Gallagher Kristalyn , Ollila David W. , Strassle Paula D. , Downs-Canner Stephanie
Published: March 2022

Oncotype DX (ODX) recurrence score (RS) is a validated tool to guide the use of adjuvant chemotherapy (AC) in hormone receptor+/HER2- breast cancer. In this analysis, we examine (1) characteristics associated with ODX testing and (2) the association between ODX RS and receipt of AC across age and nodal status. Women with HR+/HER2–, early-stage (T1-2, N0-1) breast cancers from 2010–2017 in the National Cancer Database were included. 530,125 met inclusion and 255,971 received ODX testing. Older women were less likely to receive testing; however, nodal positivity increased use of testing. High ODX RS was associated with increased mortality, though the association was not consistent across age and was most strongly associated with mortality among younger, node-negative women. Older women with high ODX RS, regardless of nodal status, were less likely to receive AC. Clinicians may be employing ODX RS to support treatment decisions against the receipt of AC.
Ultrasound-assisted pseudohomogeneous tungstate catalyst for selective oxidation of alcohols to aldehydes
Authors: Rezaei Aram , Mohammadi Yasaman , Ramazani Ali , Zheng Huajun
Published: March 2022

The idea of applying ultrasound (US) as a green activation method in chemical transformations, especially in catalytic alcohol oxidations, technically and ecologically appeals to chemists. In the present work, as an attempt to fulfill the idea of designing an eco-friendly system to oxidize alcoholic substrates into corresponding aldehydes, we developed multifunctional tungstate-decorated CQD base catalyst, A-CQDs/W, and examined its sonooxidation performance in presence of H2O2 as a green oxidant in aqua media. By comparing the catalyst performance in oxidize benzyl alcohol as a testing model to benzaldehyde (BeOH) prior and after US irradiation—trace vs 93%- the key role of ultrasonic irradiation in achieving high yield is completely appreciated. Exceptional thermal and compression condition that is created as a result of acoustic waves is in charge of unparalleled yield results in this type of activation method. The immense degree of reagent interaction in this method, ensures the maximum yield in notably low time, which in turn leads to decrease in the number of unreacted reagents and by-products. Meanwhile, the need for using toxic organic solvents and hazardous oxidants, auxiliaries and phase transfer catalyst (PTC) is completely obviated.
Toolbox for the structure-guided evolution of ferulic acid decarboxylase (FDC)
Authors: Duță Horia , Filip Alina , Nagy Levente Csaba , Nagy Emma Zsófia Aletta , Tőtős Róbert , Bencze László Csaba
Published: March 2022

The interest towards ferulic acid decarboxylase (FDC), piqued by the enzyme’s unique 1,3-dipolar cycloaddition mechanism and its atypic prFMN cofactor, provided several applications of the FDC mediated decarboxylations, such as the synthesis of styrenes, or its diverse derivatives, including 1,3-butadiene and the enzymatic activation of C-H bonds through the reverse carboligation reactions. While rational design-based protein engineering was successfully employed for tailoring FDC towards diverse substrates of interest, the lack of high-throughput FDC-activity assay hinders its directed evolution-based protein engineering. Herein we report a toolbox, useful for the directed evolution based and/or structure-guided protein engineering of FDC, which was validated representatively on the well described FDC, originary fromSaccharomyces cerevisiae(ScFDC). Accordingly, the developed fluorescent plate-assay allows in premiere the FDC-activity screens of a mutant library in a high-throughput manner. Moreover, using the plate-assay for the activity screens of a rationally designed 23-memberedScFDC variant library against a substrate panel comprising of 16, diversely substituted cinnamic acids, revealed several variants of improved activity. The superior catalytic properties of the hits revealed by the plate-assay, were also supported by the conversion values from their analytical scale biotransformations. The computational results further endorsed the experimental findings, showing inactive binding poses of several non-transformed substrate analogues within the active site of thewild-type ScFDC, but favorable ones within the catalytic site of the variants of improved activity. The results highlight several ‘hot-spot’ residues involved in substrate specificity modulation of FDC, such as I189, I330, F397, I398 or Q192, of which mutations to sterically less demanding residues increased the volume of the active site, thus facilitated proper binding and increased conversions of diverse non-natural substrates. Upon revealing which mutations improve the FDC activity towards specific substrate analogues, we also provide key for the rational substrate-tailoring of FDC.
Numerical solution for MHD peristaltic transport in an inclined nanofluid symmetric channel with porous medium
Authors: Abd-Alla A. M. , Thabet Esraa N. , Bayones F. S.
Published: March 2022

The significance of the study is to determine of transferred heat and mass impact on the magneto-hydrodynamic peristalsis of Jeffery nanofluid through porous media with inclined symmetric channels whose walls are induced by peristaltic motion within porous media. The aim of this investagtion is to study the influence of various types of parameters such as Brownian motion, thermophoresis, buoyancy forces, and magnetic fields are studies on concentration, temperature, and axial velocity. The numerical solution has been achieved according to the long-wavelength and low Reynolds number approximation utilizing the MATLAB bvp4c function. The resultant dimensions of nonlinear governing equations were approached numerically through the Runge–Kutta- Fehlberg integration scheme, a MATLAB program. The influence of different factors such as the ratio of relaxation to retardation times, nanoparticle Grashof number, and magnetic field was discussed on concentration, temperature, and velocity profiles. tables and graphs were used to demonstrate the numerically computed numerical results. Plotting graphs were utilized for evaluating the pertinent parameters impacts on the aforementioned quantities based on computational results. According to the findings, the effect of the parameters are significant.
Coordination and equilibrium selection in games: the role of local effects
Authors: Raducha Tomasz , San Miguel Maxi
Published: March 2022

We study the role of local effects and finite size effects in reaching coordination and in equilibrium selection in two-player coordination games. We investigate three update rules — the replicator dynamics (RD), the best response (BR), and the unconditional imitation (UI). For the pure coordination game with two equivalent strategies we find a transition from a disordered state to coordination for a critical value of connectivity. The transition is system-size-independent for the BR and RD update rules. For the IU it is system-size-dependent, but coordination can always be reached below the connectivity of a complete graph. We also consider the general coordination game which covers a range of games, such as the stag hunt. For these games there is a payoff-dominant strategy and a risk-dominant strategy with associated states of equilibrium coordination. We analyse equilibrium selection analytically and numerically. For the RD and BR update rules mean-field predictions agree with simulations and the risk-dominant strategy is evolutionary favoured independently of local effects. When players use the unconditional imitation, however, we observe coordination in the payoff-dominant strategy. Surprisingly, the selection of pay-off dominant equilibrium only occurs below a critical value of the network connectivity and disappears in complete graphs. As we show, it is a combination of local effects and update rule that allows for coordination on the payoff-dominant strategy.
Anti-glioblastoma effects of phenolic variants of benzoylphenoxyacetamide (BPA) with high potential for blood brain barrier penetration
Authors: Stalinska Joanna , Vittori Cecilia , Ingraham IV Charles H. , Carson Sean C. , Plaisance-Bonstaff Karlie , Lassak Adam , Faia Celeste , Colley Susan B. , Peruzzi Francesca , Reiss Krzysztof , Jursic Branko S.
Published: March 2022

Glioblastomas are the most aggressive brain tumors for which therapeutic options are limited. Current therapies against glioblastoma include surgical resection, followed by radiotherapy plus concomitant treatment and maintenance with temozolomide (TMZ), however, these standard therapies are often ineffective, and average survival time for glioblastoma patients is between 12 and 18 months. We have previously reported a strong anti-glioblastoma activity of several metabolic compounds, which were synthetized based compounds, which were synthetized based on the chemical structure of a common lipid-lowering drug, fenofibrate, and share a general molecular skeleton of benzoylphenoxyacetamide (BPA). Extensive computational analyses of phenol and naphthol moieties added to the BPA skeleton were performed in this study with the objective of selecting new BPA variants for subsequent compound preparation and anti-glioblastoma testing. Initially, 81 structural variations were considered and their physical properties such as solubility (logS), blood–brain partitioning (logBB), and probability of entering the CNS calculated by the Central Nervous System—Multiparameter Optimization (MPO-CNS) algorithm were evaluated. From this initial list, 18 compounds were further evaluated for anti-glioblastoma activity in vitro. Nine compounds demonstrated desirable glioblastoma cell toxicity in cell culture, and two of them, HR51, and HR59 demonstrated significantly improved capability of crossing the model blood–brain-barrier (BBB) composed of endothelial cells, astrocytes and pericytes.
Effect of climate on strategies of nest and body temperature regulation in paper wasps, Polistes biglumis and Polistes gallicus
Authors: Stabentheiner Anton , Nagy Julia Magdalena , Kovac Helmut , Käfer Helmut , Petrocelli Iacopo , Turillazzi Stefano
Published: March 2022

Polistespaper wasps are a widespread taxon inhabiting various climates. They build nests in the open without a protective outer layer, which makes them vulnerable to changing temperatures. To better understand the options they have to react to environmental variation and climate change, we here compare the thermoregulatory behavior ofPolistes biglumisfrom cool Alpine climate withPolistes gallicusfrom warm Mediterranean climate. Behavioral plasticity helps both of them to withstand environmental variation.P. biglumisbuilds the nests oriented toward east-south-east to gain solar heat of the morning sun. This increases the brood temperature considerably above the ambience, which speeds up brood development.P. gallicus, by contrast, mostly avoids nesting sites with direct insolation, which protects their brood from heat stress on hot days. To keep the brood temperature below 40–42 °C on warm days, the adults of the two species show differential use of their common cooling behaviors. WhileP. biglumisprefers fanning of cool ambient air onto the nest heated by the sun and additionally cools with water drops,P. gallicusprefers cooling with water drops because fanning of warm ambient air onto a warm nest would not cool it, and restricts fanning to nests heated by the sun.
Transcriptome profiling revealed candidate genes, pathways and transcription factors related to nitrogen utilization and excessive nitrogen stress in perennial ryegrass
Authors: Li Yinruizhi , Wang Mengdi , Teng Ke , Dong Di , Liu Zhuocheng , Zhang Tiejun , Han Liebao
Published: March 2022

Ryegrass (Lolium perenne L.), a high-quality forage grass, is a good nutrient source for herbivorous livestock. However, improving nitrogen use efficiency and avoiding nitrate toxicity caused by excessive nitrogen are continual challenges in ryegrass production. The molecular mechanism underlying the response of ryegrass to nitrogen, especially excessive nitrogen, remains unclear. In this study, the transcriptomic changes under different nitrogen levels were investigated in perennial ryegrass by high-throughput next-generation RNA sequencing. Phenotypic characterization showed that treatment with half of the standard N concentration (N0.5) led to a better growth state than the other three treatments. The treatments with the standard N concentration (N1) and treatments with ten times higher than the standard N concentration (N10) contained excessive nitrogen, which placed stress on plant growth. Analysis of differentially expressed genes indicated that 345 and 104 genes are involved in the regulation of nitrogen utilization and excessive nitrogen stress, respectively. KEGG enrichment analysis suggested that “photosynthesis-antenna proteins” may respond positively to appropriate nitrogen conditions, whereas “steroid biosynthesis”, “carotenoid biosynthesis” and “C5-branched dibasic acid metabolism” were identified as the top significantly enriched pathways in response to excessive nitrogen. Additionally, 21 transcription factors (TFs) related to nitrogen utilization were classified into 10 families, especially the AP2-EREBP and MYB TF families. Four TFs related to excessive nitrogen stress were identified, including LOBs, NACs, AP2-EREBPs and HBs. The expression patterns of these selected genes were also analyzed. These results provide new insight into the regulatory mechanism of ryegrass in response to nitrogen utilization and excessive nitrogen stress.
Polymer link breakage of polyimide-film-surface using hydrolysis reaction accelerator for enhancing chemical–mechanical-planarization polishing-rate
Authors: Jeong Gi-Ppeum , Park Jun-Seong , Lee Seung-Jae , Kim Pil-su , Han Man-Hyup , Hong Seong-Wan , Kim Eun-Seong , Park Jin-Hyung , Choo Byoung-Kwon , Kang Seung-Bae , Park Jea-Gun
Published: March 2022

In this study, the chemical decomposition of a polyimide-film (i.e., a PI-film)-surface into a soft-film-surface containing negatively charged pyromellitic dianhydride (PMDA) and neutral 4,4′-oxydianiline (ODA) was successfully performed. The chemical decomposition was conducted by designing the slurry containing 350 nm colloidal silica abrasive and small molecules with amine functional groups (i.e., ethylenediamine: EDA) for chemical–mechanical planarization (CMP). This chemical decomposition was performed through two types of hydrolysis reactions, that is, a hydrolysis reaction between OH− ions or R-NH3+ (i.e., EDA with a positively charged amine groups) and oxygen atoms covalently bonded with pyromellitimide on the PI-film-surface. In particular, the degree of slurry adsorption of the PI-film-surface was determined by the EDA concentration in the slurry because of the presence of R-NH3+, that is, a higher EDA concentration resulted in a higher degree of slurry adsorption. In addition, during CMP, the chemical decomposition degree of the PI-film-surface was principally determined by the EDA concentration; that is, the degree of chemical composition was increased noticeably and linearly with the EDA concentration. Thus, the polishing-rate of the PI-film-surface increased notably with the EDA concentration in the CMP slurry.
The link between number and action in human infants
Authors: Decarli Gisella , Veggiotti Ludovica , de Hevia Maria Dolores
Published: March 2022

Humans' inborn ability to represent and manipulate numerical quantities is supported by the parietal cortex, which is also involved in a variety of spatial and motor abilities. While the behavioral links between numerical and spatial information have been extensively studied, little is known about the connection between number and action. Some studies in adults have shown a series of interference effects when simultaneously processing numerical and action information. We investigated the origins of this link by testing forty infants (7- to 9-month-old) in one of two experimental conditions: one group was habituated to congruent number-hand pairings, where the larger the number, the more open the hand-shape associated; the second group was habituated to incongruent number-hand pairings, where the larger the number, the more close the hand-shape associated. In test trials, both groups of infants were presented with congruent and incongruent pairings. We found that only infants habituated to congruency showed a significantly higher looking time to the test trial depicting incongruent pairings. These findings show for the first time that infants spontaneously associate magnitude-related changes across the dimensions of number and action-related information, thus offering support to the existence of an early, preverbal number-action link in the human mind.
Exploring brain activity for positive and negative emotions by means of EEG microstates
Authors: Prete Giulia , Croce Pierpaolo , Zappasodi Filippo , Tommasi Luca , Capotosto Paolo
Published: March 2022

Microstate analysis applied to electroencephalographic signals (EEG) allows both temporal and spatial imaging exploration and represents the activity across the scalp. Despite its potential usefulness in understanding brain activity during a specific task, it has been mostly exploited at rest. We extracted EEG microstates during the presentation of emotional expressions, presented either unilaterally (a face in one visual hemifield) or bilaterally (two faces, one in each hemifield). Results revealed four specific microstate’s topographies: (i) M1 involves the temporal areas, mainly in the right hemisphere, with a higher occurrence for stimuli presented in the left than in the right visual field; (ii) M2 is localized in the left temporal cortex, with higher occurrence and coverage for unilateral than bilateral presentations; (iii) M3, with a bilateral temporo-parietal localization, shows higher coverage for bilateral than unilateral presentation; (iv) M4, mainly localized in the right fronto-parietal areas and possibly representing the hemispheric specialization for the peculiar stimulus category, shows higher occurrence and coverage for unilateral stimuli presented in the left than in the right visual field. These results suggest that microstate analysis is a valid tool to explore the cerebral response to emotions and can add new insights on the cerebral functioning, with respect to other EEG markers.
Crizotinib in patients with tumors harboring ALK or ROS1 rearrangements in the NCI-MATCH trial
Authors: Mansfield A. S. , Wei Z. , Mehra R. , Shaw A. T. , Lieu C. H. , Forde P. M. , Drilon A. E. , Mitchell E. P. , Wright J. J. , Takebe N. , Sharon E. , Hovelson D. , Tomlins S. , Zeng J. , Poorman K. , Malik N. , Gray R. J. , Li S. , McShane L. M. , Rubinstein L. V. , Patton D. , Williams P. M. , Hamilton S. R. , Conley B. A. , Arteaga C. L. , Harris L. N. , O’Dwyer P. J. , Chen A. P. , Flaherty K. T.
Published: March 2022

The NCI-MATCH was designed to characterize the efficacy of targeted therapies in histology-agnostic driver mutation-positive malignancies. Sub-protocols F and G were developed to evaluate the role of crizotinib in rare tumors that harbored either ALK or ROS1 rearrangements. Patients with malignancies that progressed following at least one prior systemic therapy were accrued to the NCI-MATCH for molecular profiling, and those with actionable ALK or ROS1 rearrangements were offered participation in sub-protocols F or G, respectively. There were five patients who enrolled on Arm F (ALK) and four patients on Arm G (ROS1). Few grade 3 or 4 toxicities were noted, including liver test abnormalities, and acute kidney injury. For sub-protocol F (ALK), the response rate was 50% (90% CI 9.8–90.2%) with one complete response among the 4 eligible patients. The median PFS was 3.8 months, and median OS was 4.3 months. For sub-protocol G (ROS1) the response rate was 25% (90% CI 1.3–75.1%). The median PFS was 4.3 months, and median OS 6.2 months. Data from 3 commercial vendors showed that the prevalence of ALK and ROS1 rearrangements in histologies other than non-small cell lung cancer and lymphoma was rare (0.1% and 0.4% respectively). We observed responses to crizotinib which met the primary endpoint for ALK fusions, albeit in a small number of patients. Despite the limited accrual, some of the patients with these oncogenic fusions can respond to crizotinib which may have a therapeutic role in this setting.
Perceptual decisions and oculomotor responses rely on temporally distinct streams of evidence
Authors: Lisi Matteo , Morgan Michael J. , Solomon Joshua A.
Published: March 2022

Perceptual decisions often require the integration of noisy sensory evidence over time. This process is formalized with sequential sampling models, where evidence is accumulated up to a decision threshold before a choice is made. Although intuition suggests that decision formation must precede the preparation of a motor response (i.e., the action used to communicate the choice), neurophysiological findings have suggested that these two processes might be one and the same. To test this idea, we developed a reverse-correlation protocol in which the visual stimuli that influence decisions can be distinguished from those guiding motor responses. In three experiments, we found that the temporal weighting function of oculomotor responses did not overlap with the relatively early weighting function of stimulus properties having an impact on decision formation. These results support a timeline in which perceptual decisions are formed, at least in part, prior to the preparation of a motor response.
A graphene-based electrochemical flow analysis device for simultaneous determination of dopamine, 5-hydroxytryptamine, and melatonin
Authors: Deng Huizhen , Zhao Jie , Zhao Shifan , Jiang Shuai , Cui Guofeng
Published: March 2022

A graphene-based electrochemical flow analysis device for simultaneous determination of dopamine, 5-hydroxytryptamine, and melatonin.
Silver soldering of PNA:DNA duplexes: assembly of a triple duplex from bimodal PNAs with all-C on one face
Authors: Todkari Iranna , Gupta Manoj Kumar , Ganesh Krishna N
Published: March 2022

DNA:bm-PNA duplexes endowed with all-C on either the t-amide or triazole face and a mixed base sequence on the other face can be welded with silver ions through C:Ag+:C connects to give triple duplexes in one complex.
Study on the kinetics of the adsorption and desorption of NH3on Fe/HBEA zeolite
Authors: Hahn Christoph , Seidel Jürgen , Mertens Florian , Kureti Sven
Published: March 2022

This work presents a thermodynamically consistent kinetic model of the adsorption and desorption of NH3on Fe/BEA zeolite, which reveals high SCR activity.