bluuebunny/crossref_metadata_2025 huggingface dataset:
Temperature-dependent structure of an intermetallic ErPd2Si2 single crystal: a combined synchrotron and in-house X-ray diffraction study
Authors: Sun Kaitong , Zhu Yinghao , Wu Si , Xia Junchao , Zhou Pengfei , Zhao Qian , Cao Chongde , Li Hai-Feng
Published: May 2022

We have grown intermetallic ErPd2Si2 single crystals employing laser diodes with the floating-zone method. The temperature dependence of the unit-cell parameters was determined using synchrotron and in-house X-ray powder diffraction measurements from 20 to 500 K. The diffraction patterns fit well with the tetragonal I4/mmm space group (No. 139) with two chemical formulae within the unit cell. The synchrotron powder diffraction study shows that the refined unit-cell parameters are a = 4.10320(2) Å, c = 9.88393(5) Å at 298 K and a = 4.11737(2) Å, c = 9.88143(5) Å at 500 K, resulting in the unit-cell volume V = 166.408(1) Å3 (298 K) and 167.517(2) Å3 (500 K). In the whole studied temperature range, no structural phase transition was observed. Upon cooling, the unit-cell parameters a and c are shortened and elongated, respectively.
Differences in service and antibiotics use following symptomatic respiratory tract infections between 2016 and 2021 in rural Anhui, China
Authors: Xu Xiuze , Zhang Kexin , Ma Huan , Shen Xingrong , Chai Jing , Tang Mengsha , Du Yanan , Xue Qun , Guan Xiaoqin , Li Guocheng , Wang Debin
Published: May 2022

In the past 10–15 years, the government of China has made various efforts in tackling excessive antibiotics use. Yet, little is known about their effects at rural primary care settings. This study aimed to determine the impact of government policies and the COVID-19 pandemic on antibiotic prescribing practices at such settings utilizing data from separate studies carried out pre- and during the pandemic, in 2016 and 2021 in Anhui province, China, using identical sampling and survey approaches. Data on antibiotics prescribed, diagnosis, socio-demographic, etc., were obtained through non-participative observation and a structured exit survey. Data analysis comprised mainly descriptive comparisons of 1153 and 762 patients with respiratory infections recruited in 2016 and 2021, respectively. The overall antibiotics prescription rate decreased from 89.6% in 2016 to 69.1% in 2021, and the proportion of prescriptions for two or more classes of antibiotics was estimated as 35.9% in 2016 and 11.0% in 2021. There was a statistically significant decrease in the number of days from symptom onset to clinic visits between the year groups. In conclusion, measures to constrain excessive prescription of antibiotics have led to some improvements at the rural primary care level, and the COVID-19 pandemic has had varying effects on antibiotic use.
On tripartite common graphs
Authors: Grzesik Andrzej , Lee Joonkyung , Lidický Bernard , Volec Jan
Published: May 2022

A graph
$H$
is common if the number of monochromatic copies of
$H$
in a 2-edge-colouring of the complete graph
$K_n$
is asymptotically minimised by the random colouring. Burr and Rosta, extending a famous conjecture of Erdős, conjectured that every graph is common. The conjectures of Erdős and of Burr and Rosta were disproved by Thomason and by Sidorenko, respectively, in the late 1980s. Collecting new examples of common graphs had not seen much progress since then, although very recently a few more graphs were verified to be common by the flag algebra method or the recent progress on Sidorenko’s conjecture. Our contribution here is to provide several new classes of tripartite common graphs. The first example is the class of so-called triangle trees, which generalises two theorems by Sidorenko and answers a question of Jagger, Šťovíček, and Thomason from 1996. We also prove that, somewhat surprisingly, given any tree
$T$
, there exists a triangle tree such that the graph obtained by adding
$T$
as a pendant tree is still common. Furthermore, we show that adding arbitrarily many apex vertices to any connected bipartite graph on at most
$5$
vertices yields a common graph.
The Effect of Ocean Salinity on Climate and Its Implications for Earth's Habitability
Authors: Olson Stephanie , Jansen Malte F. , Abbot Dorian S. , Halevy Itay , Goldblatt Colin
Published: May 2022

The influence of atmospheric composition on the climates of present‐day and early Earth has been studied extensively, but the role of ocean composition has received less attention. We use the ROCKE‐3D ocean‐atmosphere general circulation model to investigate the response of Earth's present‐day and Archean climate system to low versus high ocean salinity. We find that saltier oceans yield warmer climates in large part due to changes in ocean dynamics. Increasing ocean salinity from 20 to 50 g/kg results in a 71% reduction in sea ice cover in our present‐day Earth scenario. This same salinity change also halves the pCO2 threshold at which Snowball glaciation occurs in our Archean scenarios. In combination with higher levels of greenhouse gases such as CO2 and CH4, a saltier ocean may allow for a warm Archean Earth with only seasonal ice at the poles despite receiving ∼20% less energy from the Sun.
Influence of Off‐Sun‐Earth Line Distance on the Accuracy of L1 Solar Wind Monitoring
Authors: Milan S. E. , Carter J. A. , Bower G. E. , Fleetham A. L. , Anderson B. J.
Published: May 2022

Upstream solar wind measurements from near the L1 Lagrangian point are commonly used to investigate solar wind‐magnetosphere coupling. The off‐Sun‐Earth line distance of such solar wind monitors can be large, up to 100 RE. We investigate how the correlation between measurements of the interplanetary magnetic field and associated ionospheric responses deteriorates as the off‐Sun‐Earth line distance increases. Specifically, we use the magnitude and polarity of the dayside region 0 field‐aligned currents (R0 FACs) as a measure of interplanetary magnetic field (IMF) BY‐associated magnetic tension effects on newly‐reconnected field lines, related to the Svalgaard‐Mansurov effect. The R0 FACs are derived from Advanced Magnetosphere and Planetary Electrodynamics Response Experiment measurements by a principal component analysis, for the years 2010–2016. We perform cross‐correlation analyses between time‐series of IMF BY, measured by the Wind spacecraft and propagated to the nose of the bow shock by the OMNI technique, and these R0 FAC measurements. Typically, in the summer hemisphere, cross‐correlation coefficients between 0.6 and 0.9 are found. However, there is a reduction of order 0.1–0.15 in correlation coefficient between periods when Wind is close to (within 45 RE) and distant from (beyond 70 RE) the Sun‐Earth line. We find a time‐lag of around 17 min between predictions of the arrival of IMF features at the bow shock and their effect in the ionosphere, irrespective of the location of Wind.
Shock Recovery With Decaying Compressive Pulses: Shock Effects in Calcite (CaCO3) Around the Hugoniot Elastic Limit
Authors: Kurosawa Kosuke , Ono Haruka , Niihara Takafumi , Sakaiya Tatsuhiro , Kondo Tadashi , Tomioka Naotaka , Mikouchi Takashi , Genda Hidenori , Matsuzaki Takuya , Kayama Masahiro , Koike Mizuho , Sano Yuji , Murayama Masafumi , Satake Wataru , Matsui Takafumi
Published: May 2022

Shock metamorphism of minerals in meteorites provides insights into the ancient Solar System. Calcite is an abundant aqueous alteration mineral in carbonaceous chondrites. Return samples from the asteroids Ryugu and Bennu are expected to contain calcite‐group minerals. Although shock metamorphism in silicates has been well studied, such data for aqueous alteration minerals are limited. Here, we investigated the shock effects in calcite with marble using impact experiments at the Planetary Exploration Research Center of Chiba Institute of Technology. We produced decaying compressive pulses with a smaller projectile than the target. A metal container facilitates recovery of a sample that retains its pre‐impact stratigraphy. We estimated the peak pressure distributions in the samples with the iSALE shock physics code. The capability of this method to produce shocked grains that have experienced different degrees of metamorphism from a single experiment is an advantage over conventional uniaxial shock recovery experiments. The shocked samples were investigated by polarizing microscopy and X‐ray diffraction analysis. We found that more than half of calcite grains exhibit undulatory extinction when peak pressure exceeds 3 GPa. This shock pressure is one order of magnitude higher than the Hugoniot elastic limit (HEL) of marble, but it is close to the HEL of a calcite crystal, suggesting that the undulatory extinction records dislocation‐induced plastic deformation in the crystal. Finally, we propose a strategy to re‐construct the maximum depth of calcite grains in a meteorite parent body, if shocked calcite grains are identified in chondrites and/or return samples from Ryugu and Bennu.
Improved trends in survival and engraftment after single cord blood transplantation for adult acute myeloid leukemia
Authors: Konuma Takaaki , Mizuno Shohei , Kondo Tadakazu , Arai Yasuyuki , Uchida Naoyuki , Takahashi Satoshi , Tanaka Masatsugu , Kuriyama Takuro , Miyakoshi Shigesaburo , Onizuka Makoto , Ota Shuichi , Sugio Yasuhiro , Kouzai Yasushi , Kawakita Toshiro , Kobayashi Hikaru , Ozawa Yukiyasu , Kimura Takafumi , Ichinohe Tatsuo , Atsuta Yoshiko , Yanada Masamitsu ,   for the Adult Acute Myeloid Leukemia Working Group of the Japanese Society for Transplantation and Cellular Therapy
Published: May 2022

Unrelated cord blood transplantation (CBT) is an alternative curative option for adult patients with acute myeloid leukemia (AML) who need allogeneic hematopoietic cell transplantation (HCT) but lack an HLA-matched related or unrelated donor. However, large-scale data are lacking on CBT outcomes for unselected adult AML. To investigate the trends of survival and engraftment after CBT over the past 22 years, we retrospectively evaluated the data of patients with AML in Japan according to the time period of CBT (1998–2007 vs 2008–2013 vs 2014–2019). A total of 5504 patients who received single-unit CBT as first allogeneic HCT for AML were included. Overall survival (OS) at 2 years significantly improved over time. The improved OS among patients in ≥ complete remission (CR)3 and active disease at CBT was mainly due to a reduction of relapse-related mortality, whereas among patients in first or second CR at CBT, this was due mainly to a reduction of non-relapse mortality. The trends of neutrophil engraftment also improved over time. This experience demonstrated that the survival and engraftment rate after CBT for this group has improved over the past 22 years.
Trans-activation of eotaxin-1 by Brg1 contributes to liver regeneration
Authors: Fan Zhiwen , Kong Ming , Dong Wenhui , Dong Chunlong , Miao Xiulian , Guo Yan , Liu Xingyu , Miao Shuying , Li Lin , Chen Tingting , Qu Yeqing , Yu Fei , Duan Yunfei , Lu Yunjie , Zou Xiaoping
Published: May 2022

Infiltration of eosinophils is associated with and contributes to liver regeneration. Chemotaxis of eosinophils is orchestrated by the eotaxin family of chemoattractants. We report here that expression of eotaxin-1 (referred to as eotaxin hereafter), but not that of either eotaxin-2 or eotaxin-3, were elevated, as measured by quantitative PCR and ELISA, in the proliferating murine livers compared to the quiescent livers. Similarly, exposure of primary murine hepatocytes to hepatocyte growth factor (HGF) stimulated eotaxin expression. Liver specific deletion of Brahma-related gene 1 (Brg1), a chromatin remodeling protein, attenuated eosinophil infiltration and down-regulated eotaxin expression in mice. Brg1 deficiency also blocked HGF-induced eotaxin expression in cultured hepatocytes. Further analysis revealed that Brg1 could directly bind to the proximal eotaxin promoter to activate its transcription. Mechanistically, Brg1 interacted with nuclear factor kappa B (NF-κB)/RelA to activate eotaxin transcription. NF-κB knockdown or pharmaceutical inhibition disrupted Brg1 recruitment to the eotaxin promoter and blocked eotaxin induction in hepatocytes. Adenoviral mediated over-expression of eotaxin overcame Brg1 deficiency caused delay in liver regeneration in mice. On the contrary, eotaxin depletion with RNAi or neutralizing antibodies retarded liver regeneration in mice. More important, Brg1 expression was detected to be correlated with eotaxin expression and eosinophil infiltration in human liver specimens. In conclusion, our data unveil a novel role of Brg1 as a regulator of eosinophil trafficking by activating eotaxin transcription.
Seeing structural evolution of organic molecular nano-crystallites using 4D scanning confocal electron diffraction (4D-SCED)
Authors: Wu Mingjian , Harreiß Christina , Ophus Colin , Johnson Manuel , Fink Rainer H. , Spiecker Erdmann
Published: May 2022

Direct observation of organic molecular nanocrystals and their evolution using electron microscopy is extremely challenging, due to their radiation sensitivity and complex structure. Here, we introduce 4D-scanning confocal electron diffraction (4D-SCED), which enables direct in situ observation of bulk heterojunction (BHJ) thin films. 4D-SCED combines confocal electron optic setup with a pixelated detector to record focused spot-like diffraction patterns with high angular resolution, using an order of magnitude lower dose than previous methods. We apply it to study an active layer in organic solar cells, namely DRCN5T:PC71BM BHJ thin films. Structural details of DRCN5T nano-crystallites oriented both in- and out-of-plane are imaged at ~5 nm resolution and dose budget of ~5 e−/Å2. We use in situ annealing to observe the growth of the donor crystals, evolution of the crystal orientation, and progressive enrichment of PC71BM at interfaces. This highly dose-efficient method opens more possibilities for studying beam sensitive soft materials.
Subducted organic matter buffered by marine carbonate rules the carbon isotopic signature of arc emissions
Authors: Tumiati S. , Recchia S. , Remusat L. , Tiraboschi C. , Sverjensky D. A. , Manning C. E. , Vitale Brovarone A. , Boutier A. , Spanu D. , Poli S.
Published: May 2022

Ocean sediments consist mainly of calcium carbonate and organic matter (phytoplankton debris). Once subducted, some carbon is removed from the slab and returns to the atmosphere as CO2 in arc magmas. Its isotopic signature is thought to reflect the bulk fraction of inorganic (carbonate) and organic (graphitic) carbon in the sedimentary source. Here we challenge this assumption by experimentally investigating model sediments composed of 13C-CaCO3 + 12C-graphite interacting with water at pressure, temperature and redox conditions of an average slab–mantle interface beneath arcs. We show that oxidative dissolution of graphite is the main process controlling the production of CO2, and its isotopic composition reflects the CO2/CaCO3 rather than the bulk graphite/CaCO3 (i.e., organic/inorganic carbon) fraction. We provide a mathematical model to relate the arc CO2 isotopic signature with the fluid–rock ratios and the redox state in force in its subarc source.
Topological control of liquid-metal-dealloyed structures
Authors: Lai Longhai , Gaskey Bernard , Chuang Alyssa , Erlebacher Jonah , Karma Alain
Published: May 2022

The past few years have witnessed the rapid development of liquid metal dealloying to fabricate nano-/meso-scale porous and composite structures with ultra-high interfacial area for diverse materials applications. However, this method currently has two important limitations. First, it produces bicontinuous structures with high-genus topologies for a limited range of alloy compositions. Second, structures have a large ligament size due to substantial coarsening during dealloying at high temperature. Here we demonstrate computationally and experimentally that those limitations can be overcome by adding to the metallic melt an element that promotes high-genus topologies by limiting the leakage of the immiscible element during dealloying. We further interpret this finding by showing that bulk diffusive transport of the immiscible element in the liquid melt strongly influences the evolution of the solid fraction and topology of the structure during dealloying. The results shed light on fundamental differences in liquid metal and electrochemical dealloying and establish a new approach to produce liquid-metal-dealloyed structures with desired size and topologies.
Transcriptional adaptation of olfactory sensory neurons to GPCR identity and activity
Authors: Horgue Luis Flores , Assens Alexis , Fodoulian Leon , Marconi Leonardo , Tuberosa Joël , Haider Alexander , Boillat Madlaina , Carleton Alan , Rodriguez Ivan
Published: May 2022

In mammals, chemoperception relies on a diverse set of neuronal sensors able to detect chemicals present in the environment, and to adapt to various levels of stimulation. The contribution of endogenous and external factors to these neuronal identities remains to be determined. Taking advantage of the parallel coding lines present in the olfactory system, we explored the potential variations of neuronal identities before and after olfactory experience. We found that at rest, the transcriptomic profiles of mouse olfactory sensory neuron populations are already divergent, specific to the olfactory receptor they express, and are associated with the sequence of these latter. These divergent profiles further evolve in response to the environment, as odorant exposure leads to reprogramming via the modulation of transcription. These findings highlight a broad range of sensory neuron identities that are present at rest and that adapt to the experience of the individual, thus adding to the complexity and flexibility of sensory coding.
Exact simulation of pigment-protein complexes unveils vibronic renormalization of electronic parameters in ultrafast spectroscopy
Authors: Caycedo-Soler F. , Mattioni A. , Lim J. , Renger T. , Huelga S. F. , Plenio M. B.
Published: May 2022

The primary steps of photosynthesis rely on the generation, transport, and trapping of excitons in pigment-protein complexes (PPCs). Generically, PPCs possess highly structured vibrational spectra, combining many discrete intra-pigment modes and a quasi-continuous of protein modes, with vibrational and electronic couplings of comparable strength. The intricacy of the resulting vibronic dynamics poses significant challenges in establishing a quantitative connection between spectroscopic data and underlying microscopic models. Here we show how to address this challenge using numerically exact simulation methods by considering two model systems, namely the water-soluble chlorophyll-binding protein of cauliflower and the special pair of bacterial reaction centers. We demonstrate that the inclusion of the full multi-mode vibronic dynamics in numerical calculations of linear spectra leads to systematic and quantitatively significant corrections to electronic parameter estimation. These multi-mode vibronic effects are shown to be relevant in the longstanding discussion regarding the origin of long-lived oscillations in multidimensional nonlinear spectra.
The structural basis of Cdc7-Dbf4 kinase dependent targeting and phosphorylation of the MCM2-7 double hexamer
Authors: Saleh Almutasem , Noguchi Yasunori , Aramayo Ricardo , Ivanova Marina E. , Stevens Kathryn M. , Montoya Alex , Sunidhi S. , Carranza Nicolas Lopez , Skwark Marcin J. , Speck Christian
Published: May 2022

The controlled assembly of replication forks is critical for genome stability. The Dbf4-dependent Cdc7 kinase (DDK) initiates replisome assembly by phosphorylating the MCM2-7 replicative helicase at the N-terminal tails of Mcm2, Mcm4 and Mcm6. At present, it remains poorly understood how DDK docks onto the helicase and how the kinase targets distal Mcm subunits for phosphorylation. Using cryo-electron microscopy and biochemical analysis we discovered that an interaction between the HBRCT domain of Dbf4 with Mcm2 serves as an anchoring point, which supports binding of DDK across the MCM2-7 double-hexamer interface and phosphorylation of Mcm4 on the opposite hexamer. Moreover, a rotation of DDK along its anchoring point allows phosphorylation of Mcm2 and Mcm6. In summary, our work provides fundamental insights into DDK structure, control and selective activation of the MCM2-7 helicase during DNA replication. Importantly, these insights can be exploited for development of novel DDK inhibitors.
Mutational signatures are markers of drug sensitivity of cancer cells
Authors: Levatić Jurica , Salvadores Marina , Fuster-Tormo Francisco , Supek Fran
Published: May 2022

Genomic analyses have revealed mutational footprints associated with DNA maintenance gone awry, or with mutagen exposures. Because cancer therapeutics often target DNA synthesis or repair, we asked if mutational signatures make useful markers of drug sensitivity. We detect mutational signatures in cancer cell line exomes (where matched healthy tissues are not available) by adjusting for the confounding germline mutation spectra across ancestries. We identify robust associations between various mutational signatures and drug activity across cancer cell lines; these are as numerous as associations with established genetic markers such as driver gene alterations. Signatures of prior exposures to DNA damaging agents – including chemotherapy – tend to associate with drug resistance, while signatures of deficiencies in DNA repair tend to predict sensitivity towards particular therapeutics. Replication analyses across independent drug and CRISPR genetic screening data sets reveal hundreds of robust associations, which are provided as a resource for drug repurposing guided by mutational signature markers.
Molecular mechanism of the wake-promoting agent TAK-925
Authors: Yin Jie , Kang Yanyong , McGrath Aaron P. , Chapman Karen , Sjodt Megan , Kimura Eiji , Okabe Atsutoshi , Koike Tatsuki , Miyanohana Yuhei , Shimizu Yuji , Rallabandi Rameshu , Lian Peng , Bai Xiaochen , Flinspach Mack , De Brabander Jef K. , Rosenbaum Daniel M.
Published: May 2022

The OX2 orexin receptor (OX2R) is a highly expressed G protein-coupled receptor (GPCR) in the brain that regulates wakefulness and circadian rhythms in humans. Antagonism of OX2R is a proven therapeutic strategy for insomnia drugs, and agonism of OX2R is a potentially powerful approach for narcolepsy type 1, which is characterized by the death of orexinergic neurons. Until recently, agonism of OX2R had been considered ‘undruggable.’ We harness cryo-electron microscopy of OX2R-G protein complexes to determine how the first clinically tested OX2R agonist TAK-925 can activate OX2R in a highly selective manner. Two structures of TAK-925-bound OX2R with either a Gq mimetic or Gi reveal that TAK-925 binds at the same site occupied by antagonists, yet interacts with the transmembrane helices to trigger activating microswitches. Our structural and mutagenesis data show that TAK-925’s selectivity is mediated by subtle differences between OX1 and OX2 receptor subtypes at the orthosteric pocket. Finally, differences in the polarity of interactions at the G protein binding interfaces help to rationalize OX2R’s coupling selectivity for Gq signaling. The mechanisms of TAK-925’s binding, activation, and selectivity presented herein will aid in understanding the efficacy of small molecule OX2R agonists for narcolepsy and other circadian disorders.
Analogue cosmological particle creation in an ultracold quantum fluid of light
Authors: Steinhauer Jeff , Abuzarli Murad , Aladjidi Tangui , Bienaimé Tom , Piekarski Clara , Liu Wei , Giacobino Elisabeth , Bramati Alberto , Glorieux Quentin
Published: May 2022

The rapid expansion of the early universe resulted in the spontaneous production of cosmological particles from vacuum fluctuations, some of which are observable today in the cosmic microwave background anisotropy. The analogue of cosmological particle creation in a quantum fluid was proposed, but the quantum, spontaneous effect due to vacuum fluctuations has not yet been observed. Here we report the spontaneous creation of analogue cosmological particles in the laboratory, using a quenched 3-dimensional quantum fluid of light. We observe acoustic peaks in the density power spectrum, in close quantitative agreement with the quantum-field theoretical prediction. We find that the long-wavelength particles provide a window to early times. This work introduces the quantum fluid of light, as cold as an atomic Bose-Einstein condensate.
Influence of NAFLD and bariatric surgery on hepatic and adipose tissue mitochondrial biogenesis and respiration
Authors: Pedersen Julie S. , Rygg Marte O. , Chrøis Karoline , Sustarsic Elahu G. , Gerhart-Hines Zach , Wever Albrechtsen Nicolai J. , Serizawa Reza R. , Kristiansen Viggo B. , Basse Astrid L. , Boilesen Astrid E. B. , Olsen Beth H. , Hansen Torben , Gluud Lise Lotte , Madsbad Sten , Larsen Steen , Bendtsen Flemming , Dela Flemming
Published: May 2022

Impaired mitochondrial oxidative phosphorylation (OXPHOS) in liver tissue has been hypothesised to contribute to the development of nonalcoholic steatohepatitis in patients with nonalcoholic fatty liver disease (NAFLD). It is unknown whether OXPHOS capacities in human visceral (VAT) and subcutaneous adipose tissue (SAT) associate with NAFLD severity and how hepatic OXPHOS responds to improvement in NAFLD. In biopsies sampled from 62 patients with obesity undergoing bariatric surgery and nine control subjects without obesity we demonstrate that OXPHOS is reduced in VAT and SAT while increased in the liver in patients with obesity when compared with control subjects without obesity, but this was independent of NAFLD severity. In repeat liver biopsy sampling in 21 patients with obesity 12 months after bariatric surgery we found increased hepatic OXPHOS capacity and mitochondrial DNA/nuclear DNA content compared with baseline. In this work we show that obesity has an opposing association with mitochondrial respiration in adipose- and liver tissue with no overall association with NAFLD severity, however, bariatric surgery increases hepatic OXPHOS and mitochondrial biogenesis.
In-silico synthesis of lowest-pressure high-Tc ternary superhydrides
Authors: Lucrezi Roman , Di Cataldo Simone , von der Linden Wolfgang , Boeri Lilia , Heil Christoph
Published: May 2022

We report the theoretical prediction of two high-performing hydride superconductors BaSiH8 and SrSiH8. They are thermodynamically stable above pressures of 130 and 174 GPa, respectively, and metastable below that. Employing anharmonic phonon calculations, we determine the minimum pressures of dynamical stability to be around 3 GPa for BaSiH8 and 27 GPa for SrSiH8, and using the fully anisotropic Migdal-Eliashberg theory, we predict Tc’s around 71 and 126 K, respectively. We also introduce a method to estimate the lowest pressure of synthesis, based on the calculation of the enthalpy barriers protecting the BaSiH8$$Fm\bar{3}m$$

F
m

3

¯

m

structure from decomposition at various pressures. This kinetic pressure threshold is sensibly higher than the one based on dynamic stability, but gives a much more rigorous limit for synthesizability.
Neuropathic pain caused by miswiring and abnormal end organ targeting
Authors: Gangadharan Vijayan , Zheng Hongwei , Taberner Francisco J. , Landry Jonathan , Nees Timo A. , Pistolic Jelena , Agarwal Nitin , Männich Deepitha , Benes Vladimir , Helmstaedter Moritz , Ommer Björn , Lechner Stefan G. , Kuner Thomas , Kuner Rohini
Published: May 2022

Nerve injury leads to chronic pain and exaggerated sensitivity to gentle touch (allodynia) as well as a loss of sensation in the areas in which injured and non-injured nerves come together1–3. The mechanisms that disambiguate these mixed and paradoxical symptoms are unknown. Here we longitudinally and non-invasively imaged genetically labelled populations of fibres that sense noxious stimuli (nociceptors) and gentle touch (low-threshold afferents) peripherally in the skin for longer than 10 months after nerve injury, while simultaneously tracking pain-related behaviour in the same mice. Fully denervated areas of skin initially lost sensation, gradually recovered normal sensitivity and developed marked allodynia and aversion to gentle touch several months after injury. This reinnervation-induced neuropathic pain involved nociceptors that sprouted into denervated territories precisely reproducing the initial pattern of innervation, were guided by blood vessels and showed irregular terminal connectivity in the skin and lowered activation thresholds mimicking low-threshold afferents. By contrast, low-threshold afferents—which normally mediate touch sensation as well as allodynia in intact nerve territories after injury4–7—did not reinnervate, leading to an aberrant innervation of tactile end organs such as Meissner corpuscles with nociceptors alone. Genetic ablation of nociceptors fully abrogated reinnervation allodynia. Our results thus reveal the emergence of a form of chronic neuropathic pain that is driven by structural plasticity, abnormal terminal connectivity and malfunction of nociceptors during reinnervation, and provide a mechanistic framework for the paradoxical sensory manifestations that are observed clinically and can impose a heavy burden on patients.
MusMorph, a database of standardized mouse morphology data for morphometric meta-analyses
Authors: Devine Jay , Vidal-García Marta , Liu Wei , Neves Amanda , Lo Vercio Lucas D. , Green Rebecca M. , Richbourg Heather A. , Marchini Marta , Unger Colton M. , Nickle Audrey C. , Radford Bethany , Young Nathan M. , Gonzalez Paula N. , Schuler Robert E. , Bugacov Alejandro , Rolian Campbell , Percival Christopher J. , Williams Trevor , Niswander Lee , Calof Anne L. , Lander Arthur D. , Visel Axel , Jirik Frank R. , Cheverud James M. , Klein Ophir D. , Birnbaum Ramon Y. , Merrill Amy E. , Ackermann Rebecca R. , Graf Daniel , Hemberger Myriam , Dean Wendy , Forkert Nils D. , Murray Stephen A. , Westerberg Henrik , Marcucio Ralph S. , Hallgrímsson Benedikt
Published: May 2022

Complex morphological traits are the product of many genes with transient or lasting developmental effects that interact in anatomical context. Mouse models are a key resource for disentangling such effects, because they offer myriad tools for manipulating the genome in a controlled environment. Unfortunately, phenotypic data are often obtained using laboratory-specific protocols, resulting in self-contained datasets that are difficult to relate to one another for larger scale analyses. To enable meta-analyses of morphological variation, particularly in the craniofacial complex and brain, we created MusMorph, a database of standardized mouse morphology data spanning numerous genotypes and developmental stages, including E10.5, E11.5, E14.5, E15.5, E18.5, and adulthood. To standardize data collection, we implemented an atlas-based phenotyping pipeline that combines techniques from image registration, deep learning, and morphometrics. Alongside stage-specific atlases, we provide aligned micro-computed tomography images, dense anatomical landmarks, and segmentations (if available) for each specimen (N = 10,056). Our workflow is open-source to encourage transparency and reproducible data collection. The MusMorph data and scripts are available on FaceBase (www.facebase.org, https://doi.org/10.25550/3-HXMC) and GitHub (https://github.com/jaydevine/MusMorph).
A novel fuzzy framework for technology selection of sustainable wastewater treatment plants based on TODIM methodology in developing urban areas
Authors: Eseoglu Gunes , Yapsakli Kozet , Tozan Hakan , Vayvay Ozalp
Published: May 2022

Optimal technology selection of wastewater treatment plants (WWTPs) necessitates the adoption of data-driven scientific approaches that satisfy the sustainability requirements of the urban ecosystem. Such approaches should be able to provide actionable insights to decision makers constrained by factors such as population growth, land scarcity, and loss of functionality of wastewater treatment plants. The framework in this study proposes a hybrid fuzzy multi-criteria decision making (MCDM) model consisting of the analytical hierarchy process (AHP) and the TODIM (an acronym in Portuguese of interactive and multi-criteria decision-making) by using alpha cut series which takes into account the risk aversion of decision makers (DMs) to overcome uncertainties of environmental conditions. The literature to date indicates that the study is the first to presents how a systematic decision-making process is approached by interpreting the interaction of criteria for the selection of wastewater treatment technology through the membership function of Prospect Theory. The proposed methodology reveals that the prominent reference criterion manipulates other sub-criteria according to the function of risk-aversion behavior. The fuzzy sets based on alpha cut series are employed to evaluate both the criteria weight and the rank of the alternatives in the decision-making process to obtain compromise solutions under uncertainty. The dominance degrees of the alternatives are achieved by fuzzy TODIM integrated with the fuzzy analytic hierarchy process (FAHP) which deals with the uncertainty of human judgements. According to the ranking results determined by the dominance degree of alternatives, anaerobic–anoxic–oxic (A2O) without pre-clarification was the most effective process in relation to the sludge disposal cost (C25) calculated as reference criteria. The ranking of four full-scale WWTPs in a metropolitan city of an EMEA country based on 24 sub-criteria listed under the four main criteria, namely the dimensions of sustainability, is used as a case study to verify the usefulness of the fuzzy approach. Motivated by the literature gap related to the failure to consider the psychological behavior of DMs in technology selection problem for wastewater treatment, it is discussed how the proposed hybrid MCDM model can be utilized by reflecting human risk perception in wastewater treatment technology selection for developing urban areas.
Healthcare services relaxing natural selection may contribute to increase of dementia incidence
Authors: You Wenpeng , Henneberg Renata , Henneberg Maciej
Published: May 2022

Ageing and genetic traits can only explain the increasing dementia incidence partially. Advanced healthcare services allow dementia patients to survive natural selection and pass their genes onto the next generation. Country-specific estimates of dementia incidence rates (all ages and 15–49 years old), Biological State Index expressing reduced natural selection (Is), ageing indexed by life expectancy e(65), GDP PPP and urbanization were obtained for analysing the global and regional correlations between reduced natural selection and dementia incidence with SPSS v. 27. Worldwide, Is significantly, but inversely, correlates with dementia incidence rates for both all ages and 15–49 years old in bivariate correlations. These relationships remain inversely correlated regardless of the competing contributing effects from ageing, GDP and urbanization in partial correlation model. Results of multiple linear regression (enter) have shown that Is is the significant predictor of dementia incidence among all ages and 15–49 years old. Subsequently, Is was selected as the variable having the greatest influence on dementia incidence in stepwise multiple linear regression. The Is correlated with dementia incidence more strongly in developed population groupings. Worldwide, reduced natural selection may be yet another significant contributor to dementia incidence with special regard to developed populations.
Applications of machine learning in pine nuts classification
Authors: Huang Biaosheng , Liu Jiang , Jiao Junying , Lu Jing , Lv Danjv , Mao Jiawei , Zhao Youjie , Zhang Yan
Published: May 2022

Pine nuts are not only the important agent of pine reproduction and afforestation, but also the commonly consumed nut with high nutritive values. However, it is difficult to distinguish among pine nuts due to the morphological similarity among species. Therefore, it is important to improve the quality of pine nuts and solve the adulteration problem quickly and non-destructively. In this study, seven pine nuts (Pinus bungeana,Pinus yunnanensis,Pinus thunbergii,Pinus armandii,Pinus massoniana,Pinus elliottiiandPinus taiwanensis) were used as study species. 210 near-infrared (NIR) spectra were collected from the seven species of pine nuts, five machine learning methods (Decision Tree (DT), Random Forest (RF), Multilayer Perceptron (MLP), Support Vector Machine (SVM) and Naive Bayes (NB)) were used to identify species of pine nuts. 303 images were used to collect morphological data to construct a classification model based on five convolutional neural network (CNN) models (VGG16, VGG19, Xception, InceptionV3 and ResNet50). The experimental results of NIR spectroscopy show the best classification model is MLP and the accuracy is closed to 0.99. Another experimental result of images shows the best classification model is InceptionV3 and the accuracy is closed to 0.964. Four important range of wavebands, 951–957 nm, 1,147–1,154 nm, 1,907–1,927 nm, 2,227–2,254 nm, were found to be highly related to the classification of pine nuts. This study shows that machine learning is effective for the classification of pine nuts, providing solutions and scientific methods for rapid, non-destructive and accurate classification of different species of pine nuts.
Longer amplicons provide better sensitivity for electrochemical sensing of viral nucleic acid in water samples using PCB electrodes
Authors: Ahuja Shruti , Kumar M. Santhosh , Nandeshwar Ruchira , Kondabagil Kiran , Tallur Siddharth
Published: May 2022

The importance of monitoring environmental samples has gained a lot of prominence since the onset of COVID-19 pandemic, and several surveillance efforts are underway using gold standard, albeit expensive qPCR-based techniques. Electrochemical DNA biosensors could offer a potential cost-effective solution suitable for monitoring of environmental water samples in lower middle income countries. In this work, we demonstrate electrochemical detection of amplicons as long as $${503}\,\hbox {bp}$$

503

bp

obtained from Phi6 bacteriophage (a popular surrogate for SARS-CoV-2) isolated from spiked lake water samples, using ENIG finish PCB electrodes with no surface modification. The electrochemical sensor response is thoroughly characterised for two DNA fragments of different lengths ($${117}\,\hbox {bp}$$

117

bp

and $${503}\,\hbox {bp}$$

503

bp

), and the impact of salt in PCR master mix on methylene blue (MB)-DNA interactions is studied. Our findings establish that length of the DNA fragment significantly determines electrochemical sensitivity, and the ability to detect long amplicons without gel purification of PCR products demonstrated in this work bodes well for realisation of fully-automated solutions for in situ measurement of viral load in water samples.
Evolutionary game analysis of opportunistic behavior of Sponge City PPP projects: a perceived value perspective
Authors: Zhao Hui , Liu Xin , Wang Yiting
Published: May 2022

Sponge City Public Private Partnership (PPP) project is a significant step to promote the construction of resilient city and sustainable development. Private companies take advantage of information asymmetry and regulatory loopholes to take opportunistic behavior, which affects the project delivery quality and public interests. In order to reveal the decision-making mechanism of the main stakeholders, this paper constructs an evolutionary game model of private companies, citizens and the government from a fresh perspective of perceived value. First, the traditional payoff matrix is modified by combining Prospect Theory and Mental Accounting. Next, this paper analyzes the strategic evolution law and stability conditions of game players by replicated dynamic equation. Finally, Nanganqu project is used for empirical simulation to verify the effectiveness of this model. Results indicate that, (1) due to the complexity of the project and the bounded rationality of the participants, there is no evolutionary stable strategy in this game system. (2) The behavioral decision of participants is affected by perceived incomes and perceived costs. (3) Government punishment and reputation loss can effectively curb the opportunistic behavior. All above studies are expected to improve the management of Sponge City PPP projects, providing theoretical guidance for the government to make scientific decisions.
A novel decentralized federated learning approach to train on globally distributed, poor quality, and protected private medical data
Authors: Nguyen T. V. , Dakka M. A. , Diakiw S. M. , VerMilyea M. D. , Perugini M. , Hall J. M. M. , Perugini D.
Published: May 2022

Training on multiple diverse data sources is critical to ensure unbiased and generalizable AI. In healthcare, data privacy laws prohibit data from being moved outside the country of origin, preventing global medical datasets being centralized for AI training. Data-centric, cross-silo federated learning represents a pathway forward for training on distributed medical datasets. Existing approaches typically require updates to a training model to be transferred to a central server, potentially breaching data privacy laws unless the updates are sufficiently disguised or abstracted to prevent reconstruction of the dataset. Here we present a completely decentralized federated learning approach, using knowledge distillation, ensuring data privacy and protection. Each node operates independently without needing to access external data. AI accuracy using this approach is found to be comparable to centralized training, and when nodes comprise poor-quality data, which is common in healthcare, AI accuracy can exceed the performance of traditional centralized training.
Functional optical design of thickness-optimized transparent conductive dielectric-metal-dielectric plasmonic structure
Authors: Çetinkaya Çağlar , Çokduygulular Erman , Güzelçimen Feyza , Kınacı Barış
Published: May 2022

Dielectric/metal/dielectric plasmonic transparent structures play an important role in tailoring the high-optical performance of various optoelectronic devices. Though these structures are in significant demand in applications, including modification of the optical properties, average visible transmittance (AVT) and colour render index (CRI) and correlated colour temperature (CCT), obtaining optimal ones require precise thickness optimization. The overall objective of this study is the estimation of the optimal design concept of MoO3/Ag/WO3 (10/dAg/dWO3 nm) plasmonic structure. To explore the proper use in optoelectronic devices, we are motivated to conduct a rigorous optical evaluation on the thickness of layers. Having calculated optical characteristics and achieved the highest AVT of 97.3% for dAg = 4 nm and dWO3 = 6 nm by the transfer matrix method, it is quite possible to offer the potential of the structure acting as a transparent contact. Notably, the colour coordinates of the structure are x = 0.3110 and y = 0.3271, namely, it attributes very close to the Planckian locus. This superior colour performance displays that MoO3/Ag/WO3 shall undergo rapid development in neutral-colour windows and LED technologies. Structure with dAg = 6 nm and dWO3 = 16 nm exhibits the highest CRI of 98.58, thus identifying an optimal structure that can be integrated into LED lighting applications and imaging technologies. Besides the colour of structure with dAg = 4 nm and dWO3 = 8 nm is equal for D65 Standard Illuminant, the study reports that the range of CCTs are between 5000 and 6500 K. This optimization makes the structure employable as a near-daylight broadband illuminant. The study emphasizes that optimal MoO3/Ag/WO3 plasmonic structures can be used effectively to boost optoelectronic devices' performance.
Facile access to fused 2D/3D rings via intermolecular cascade dearomative [2 + 2] cycloaddition/rearrangement reactions of quinolines with alkenes
Authors: Ma Jiajia , Chen Shuming , Bellotti Peter , Wagener Tobias , Daniliuc Constantin , Houk Kendall N. , Glorius Frank
Published: May 2022

Hybrid fused two-dimensional/three-dimensional (2D/3D) rings are important pharmacophores in drugs owing to their unique structural and physicochemical properties. Preparation of these strained ring systems often requires elaborate synthetic effort and exhibits low efficiency, thus representing a limiting factor in drug discovery. Here, we report two types of energy-transfer-mediated cascade dearomative [2 + 2] cycloaddition/rearrangement reactions of quinoline derivatives with alkenes, which provide a straightforward avenue to 2D/3D pyridine-fused 6−5−4−3- and 6−4−6-membered ring systems. Notably, this energy-transfer-mediated strategy features excellent diastereoselectivity that bypasses the general reactivity and selectivity issues of photochemical [2 + 2] cycloaddition of various other aromatics. Tuning the aza-arene substitutions enabled selective diversion of the iridium photocatalysed energy transfer manifold towards either cyclopropanation or cyclobutane-rearrangement products. Density functional theory calculations revealed a cascade energy transfer scenario to be operative.
Fluid shear stress in a logarithmic microfluidic device enhances cancer cell stemness marker expression
Authors: Dash Sanat Kumar , Patra Bamadeb , Sharma Vineeta , Das Sarit K. , Verma Rama Shanker
Published: May 2022

Our logarithmic microfluidic device shows the dependence of cancer metastasis, recurrence and drug resistance on fluid shear stress mechanotransduction in cancer microenvironment and circulation.
Rapid and selective determination of 9 nitrosamines in biological samples using ultra-high performance liquid chromatography-triple quadrupole linear ion trap mass spectrometry
Authors: Zhou Hua , Huang Qin , Wu Xianglun , Zhan Bindong , Chen Dongyang , Lei Meikang , Zhang Hao
Published: May 2022

A sensitive, selective, and convenient method was developed for the determination of 9 NAs in biological samples using UPLC-QTRAP-MS, which was significant for the rapid identification of NAs in public emergency.
Optical and defect properties of mid-IR laser crystal Dy3+: PbGa2S4: a DFT and XPS study
Authors: Yu Xuezhou , Huang Changbao , Ni Youbao , Wang Zhenyou , Wu Haixin
Published: May 2022

High-quality Dy3+:PbGa2S4 crystals were prepared using pressure-resisted and crucible-capsule Bridgman techniques through the compensation of Ga2S3.
Theoretical study of the NO3radical reaction with CH2ClBr, CH2ICl, CH2BrI, CHCl2Br, and CHClBr2
Authors: Alkorta Ibon , Plane John M. C. , Elguero José , Dávalos Juan Z. , Acuña A. Ulises , Saiz-Lopez Alfonso
Published: May 2022

The reaction of nitrate radical (NO3) with five alkyl halides, halons (CH2ClBr, CH2ICl, CH2BrI, CHCl2Br, and CHClBr2) has been studied theoretically. The results indicate that the chemical lifetime of these alkyl halides would not be substantially affected by nitrate radical reactions.
Modulation of proton-coupled electron transfer reactions in lysine-containing alpha-helixes: alpha-helixes promoting long-range electron transfer
Authors: Chen Long , Li Xin , Xie Yuxin , Liu Nian , Qin Xin , Chen Xiaohua , Bu Yuxiang
Published: May 2022

Alpha-helixes promote proton-coupled electron transfer reactions via excess electron migration along the helical direction.
A doping element improving the properties of catalysis: in situ Raman spectroscopy insights into Mn-doped NiMn layered double hydroxide for the urea oxidation reaction
Authors: Yang Xu , Zhang Huimin , Xu Wei , Yu Binbin , Liu Yan , Wu Zucheng
Published: May 2022

Potential dependent in situ Raman spectra confirm that Mn doping enables a negative shift in Ni(ii) oxidation onset potential.
Flexible translucent persistent luminescent films based on Sr2MgSi2O7:Eu2+,Dy3+ cellulose ether composites
Authors: Fritzen Douglas L. , de Mattos Elaine A. , Petri Denise F. S. , Teixeira Verônica C. , Bonturim Everton , Rodrigues Lucas C. V.
Published: May 2022

Production of translucent and flexible films featuring blue persistent luminescence. The films show great transmittance at visible range and can persist for up to 90 min after charging with UV light.