bluuebunny/crossref_metadata_2025 huggingface dataset:
Spectroscopic studies of preparation conditions role on the shielding properties of MoO3-doped Na2O–ZnO–P2O5
Authors: Ibrahim Mohamed M. , Fanny Mona A. , ElBatal H. A. , Hassaan M. Y. , Abdelghany A. M
Published: March 2022

Glassy samples from the undoped ternary system Na2O–ZnO–P2O5 in combination with other samples from the same system doped with variable amounts of MoO3 (0.25, 0.5, or 1 gm/batch) were successfully melted under ordinary, oxidizing, or reducing conditions followed by annealing. Fourier transform infrared spectrophotometric measurements in combination with optical absorption spectra were recorded before and after doping with variable concentrations of MoO3 in multiple melting media both as prepared or after being subjected to (8 Mrad) gamma irradiation dose. The studied spectral properties of the glasses were correlated with variations with the existing valence state of the Mo ions and the effects of gamma irradiation on the optical spectra and IR vibrational bands together with the role of the condition of melting the batches. The optical spectra of the glasses reveal pronounced UV and visible bands due to trace iron (Fe3+) ions as impurities or the sharing of the low valence states of the added molybdenum ions. The FTIR peaks show condensed spectra of phosphate groups (Q2, Q3), and the effects of dopant are limited because of low percent. Gamma irradiation causes distinct variations in the undoped spectra, but the MoO3-doped glasses show some shielding behavior.
Rigid Body Dynamics
Authors: Batlle Joaquim A. , Barjau Condomines Ana
Published: March 2022

Building up from first principles and simple scenarios, this comprehensive introduction to rigid body dynamics gradually introduces readers to tools to address involved real-world problems, and cutting-edge research topics. Using a unique blend of conceptual, theoretical and practical approaches, concepts are developed and rigorously applied to practical examples in a consistent and understandable way. It includes discussion of real-world applications including robotics and vehicle dynamics, and over 40 thought-provoking fully worked examples to cement readers' understanding. Providing a wealth of resources allowing readers to confidently self-assess – including over 100 problems with solutions, over 400 high quality multiple choice questions, and end-of-chapter puzzles dealing with everyday situations – this is an ideal companion for undergraduate students in aerospace, civil and mechanical engineering.
Evaluation of different antimicrobial stewardship models at a rehabilitation hospital: An interrupted time series (ITS) study
Authors: Curran Jennifer A. , Leis Jerome A. , Robinson Larry , Daneman Nick , Wan Michael , Mistry Asha , Zhang Sara , Massey Mridula , Lam Wendy , Jong Grace , Elligsen Marion , Lam Philip W.
Published: March 2022

Objective:

To evaluate different prospective audit-and-feedback models on antimicrobial prescribing at a rehabilitation hospital.

Design:

Retrospective interrupted time series (ITS) and qualitative methods.

Setting:

A 178-bed rehabilitation hospital within an academic health sciences center.

Methods:

ITS analysis was used to analyze monthly days of therapy (DOT) per 1,000 patient days (PD) and monthly urine cultures ordered per 1,000 PD. We compared 2 sequential intervention periods to the baseline: (1) a period when a dedicated antimicrobial stewardship (AMS) pharmacist performed prospective audit and feedback and provided urine culture education followed by (2) a period when ward pharmacists performing audit and feedback. We conducted an electronic survey with physicians and semistructured interviews with pharmacists, respectively.

Results:

Audit and feedback conducted by an AMS pharmacist resulted in a 24.3% relative reduction in total DOT per 1,000 PD (incidence rate ratio [IRR], 0.76; 95% confidence interval [CI], 0.58–0.99; P = .04), whereas we detected no difference between ward pharmacist audit and feedback and the baseline (IRR, 1.20; 95% CI, 0.53–2.70; P = .65). We detected no statistically significant change in monthly urine-culture orders between the AMS pharmacist period and the baseline (level coefficient, 0.81; 95% CI, 0.65–1.01; P = .07). Compared to baseline, the ward pharmacist period showed a statistically significant increase in urine-culture ordering over time (slope coefficient, 1.04; 95% CI, 1.01–1.08; P = .02). The barrier most identified by pharmacists was insufficient time.

Conclusions:

Audit and feedback conducted by an AMS pharmacist in a rehabilitation hospital was associated with decreased antimicrobial use.
Production of Vowel Reduction by Mexican Learners of English as L2 and Russian as L3
Authors: Barkov Maxim , Santiago Fabián , Peralta Teresa
Published: March 2022

In this study, we examined to what extent cross-linguistic influence is observed in the production of unstressed vowels in Mexican learners of L2 English and L3 Russian. Phonological spectral vowel reduction is a widespread process present in both English and Russian, but not in Spanish. In total, 18 Mexican learners, six American speakers, five Russian speakers and six Mexican speakers performed a delayed word repetition task and a sentence completion task. Euclidean distances and temporal values were measured to assess vowel reduction in 1,192 tokens. Mexican learners showed hybrid values of vowel reduction in both foreign languages: while they tended to use quality cues in the case of the L2, they relied on duration cues in the case of the L3. Our results do not show any direct evidence of cross-linguistic influence of temporal values or vowel quality from the L1 or the L2 on the L3. We examine these findings in light of similar studies and current L3 acquisition models.
Russian thistle (Salsola spp.) control in California rangelands over five years
Authors: Rao Devii R. , Hovanes Katherine , Smith Richard , Davy Josh , Gornish Elise S.
Published: March 2022

Russian thistle, also known as tumbleweed (Salsola spp.), is a problematic invasive plant found on natural and working landscapes. On a California rangeland, we tested the singular and interactive treatments of grazing, herbicide, and seeding to determine how these approaches might influence Salsola cover across a 5-yr experiment. Total Salsola cover declined by 3% annually during the study. A single spring treatment of chlorsulfuron + 2,4-D followed by glyphosate applied in the fall just before seeding, and then 2,4-D the following spring, significantly reduced Salsola cover compared with the untreated control. Seeded forage species cover increased over time and was significantly higher than seeded native species cover at 5 yr after seeding. However, the seeding treatment had no effect on Salsola cover. Although grazing did not reduce Salsola cover, due to the beneficial effects of grazing on reducing other nonnative species, this study supports the use of an integrated approach of herbicide application, grazing, and seeding to achieve management goals on an arid working landscape.
Coupling of translation and rotation in the motion of finite-length rods near solid boundaries
Authors: Teng Jian , Rallabandi Bhargav , Stone Howard A. , Ault Jesse T.
Published: March 2022

The motion of finite-length cylindrical rods moving near a planar rigid surface is a scenario common across many engineering and natural settings. We study the low-Reynolds-number flow around finite rods that are allowed to rotate or translate in directions perpendicular or parallel to the plane. We develop a three-dimensional lubrication theory to characterize the pressure and hydrodynamic resistances of the cylinders through a special consideration of the cylinder's end effects. In addition, we use three-dimensional numerical simulations to solve these Stokes flows for cylinders of varying lengths and with varying gap sizes between the cylinder and plane, and the numerical results support the developed analytical descriptions. We also use visualizations of the flow to provide qualitative insights and rationalize the effect of the ends on the dynamics of the cylinders. The numerical simulations and theoretical predictions show good agreement in the long (isolated ends) and short (disk-like) limits.
EXTREME VALUES OF THE RANKIN–SELBERG -FUNCTIONS
Authors: CUI CHI , YANG QIYU
Published: March 2022

In this paper, we study the extreme values of the Rankin–Selberg L-functions associated with holomorphic cusp forms in the vertical direction. Assuming the generalised Riemann hypothesis (GRH), we prove that
$$ \begin{align*} \underset{T^{\delta}\leq t\leq T}{\max}\bigg\lvert L\bigg(\frac12+it,f\times f\bigg)\bigg\rvert \geq\exp\bigg(C\sqrt{\frac{\log T\log\log\log T}{\log\log T}}\bigg) \end{align*} $$

with
$C\leq \mathscr {X}\sqrt {1-\delta }$
, where
$\mathscr {X}:=({2}/{\pi })\int _{0}^{\pi /3}\sin ^2\xi \,d\xi $
and
$0\leq \delta <1$
.
A Ghoul at the Gates: Natural Gas Energy and the Environment in Pahlavi Iran, 1960–1979
Authors: Movahedi-Lankarani Ciruce
Published: March 2022

In the 1960s and 1970s, Iranian officials embraced natural gas as a new energy source for their rapidly industrializing society, seeing it as a readily available substitute for the lucrative oil products their country's citizens were consuming in increasing amounts. Reacting to the growing concentrations of smoke and haze in cities, and unable to alter the mountainous terrain and semiarid climate that intensified them, gas seemingly promised to be a technical savior upon which to build an Iran as environmentally sound as it was prosperous, technologically sophisticated, and energy hungry. Pahlavi-era developmental choices were shaped by officials’ concern for deteriorating environmental conditions, the natural factors that compounded the issue, and the interests of private industry. Using archival and published materials collected in Iran, this article focuses on urban air pollution and the fitful efforts to mitigate it through the conversion of industrial facilities to gas.
LOCAL ASYMPTOTIC NORMALITY OF GENERAL CONDITIONALLY HETEROSKEDASTIC AND SCORE-DRIVEN TIME-SERIES MODELS
Authors: Francq Christian , Zakoian Jean-Michel
Published: March 2022

The paper establishes the local asymptotic normality property for general conditionally heteroskedastic time series models of multiplicative form,

$\epsilon _t=\sigma _t(\boldsymbol {\theta }_0)\eta _t$
, where the volatility

$\sigma _t(\boldsymbol {\theta }_0)$
is a parametric function of

$\{\epsilon _{s}, s< t\}$
, and

$(\eta _t)$
is a sequence of i.i.d. random variables with common density

$f_{\boldsymbol {\theta }_0}$
. In contrast with earlier results, the finite dimensional parameter

$\boldsymbol {\theta }_0$
enters in both the volatility and the density specifications. To deal with nondifferentiable functions, we introduce a conditional notion of the familiar quadratic mean differentiability condition which takes into account parameter variation in both the volatility and the errors density. Our results are illustrated on two particular models: the APARCH with asymmetric Student-t distribution, and the Beta-t-GARCH model, and are extended to handle a conditional mean.
Different dietary assessment methods, similar conclusions? Comparison of a country’s adherence to food-based dietary guidelines as depicted in two population-based surveys using different dietary assessment methods
Authors: Karavasiloglou Nena , Pestoni Giulia , Dehler Anna , Sych Janice , Faeh David , Rohrmann Sabine
Published: March 2022

Objective:

Different methods of dietary intake assessment are frequently used to assess a population’s diet. In this study, we aimed to compare the adherence to Swiss food-based dietary guidelines as depicted in two Swiss population-based surveys using different methods of dietary assessment.

Design:

Two population-based, cross-sectional surveys were compared. In the Swiss Health Survey (SHS), diet was assessed via a short set of questions on specific food groups, while in menuCH by two non-consecutive 24-h dietary recall interviews.

Setting:

To compare the diet depicted in these surveys, we used the Swiss food-based dietary guidelines on vegetable, fruit, dairy product, meat and meat product, fish and alcohol. The weighted proportion of responders meeting these guidelines was calculated for both surveys and was compared overall and by selected characteristics.

Participants:

Residents of Switzerland, selected from a stratified random sample of the non-institutionalised residents, who agreed to participate in the respective survey. To ensure comparability between the surveys, the age of the study populations was restricted to 18–75 years.

Results:

In menuCH, approximately 2 % of responders met ≥4 of the selected Swiss food-based dietary guidelines. In the SHS, using a cruder dietary assessment, the corresponding percentage was 20 %. In both surveys, more women and never smokers were meeting ≥4 food-based dietary guidelines compared to men and current or former smokers, respectively.

Conclusions:

Our study comparing the diet in two population-based, representative surveys detected large variations in guideline adherence depending on the dietary assessment method used.
Community-based nutrition education and hands-on cooking intervention increases farmers’ market use and vegetable servings
Authors: Metcalfe Jessica Jarick , McCaffrey Jennifer , Schumacher Melissa , Kownacki Caitlin , Prescott Melissa Pflugh
Published: March 2022

Objective:

The objective of the current study was to evaluate the impact of the Market to MyPlate (M2MP) program on participants’ reported farmers’ market (FM) attitudes and shopping behaviours, frequency of serving vegetables to their families, food resource management behaviours and food security. A secondary objective was to identify facilitators and barriers to shopping at FM and food waste reduction techniques used by low-income families.

Design:

The current study used a mixed methods evaluation embedded within a cluster randomised trial of the M2MP intervention.

Setting:

The 7-week M2MP program was delivered at Extension offices and community centres in central Illinois.

Participants:

Participants included 120 adults and their families. Class cohorts were randomly assigned to one of three treatment groups: (1) nutrition education and cooking classes with produce allocations (PAE,n39); (2) nutrition education and cooking classes only (EO,n36) or (3) control group (n45).

Results:

Compared with control participants, PAE participants were significantly more likely to report shopping at FM (P= 0·029) and reported serving more vegetables to their families (P= 0·010) (EO participants did not differ from the control group on any outcomes). There were no differences between conditions in survey-based measures of food security or food resource management behaviours. Interview results describe facilitators and barriers to shopping at FM and a variety of food waste reduction techniques (including food placement and food resource management).

Conclusions:

These findings suggest that fresh produce provision coupled with nutrition and culinary education can positively impact shopping and dietary behaviours.
Use of biochar and crude glycerin as additives in the composting of slaughterhouse waste in static piles
Authors: Leite Brenda Kelly Viana , Orrico Ana Carolina Amorim , Orrico Junior Marco Antonio Previdelli , Aspilcueta Borquis Rusbel Raul , Tomazi Michely , Oliveira Juliana Dias de , Vilela Ranielle Nogueira da Silva , Schwingel Alice Watte
Published: March 2022

This study is aimed to evaluate the efficiency of biochar and crude glycerin as additives in N retention throughout the composting of cattle slaughterhouse waste in static piles receiving forced aeration. There were five treatments (control, biochar accounting for 5 and 10%, and glycerin accounting for 5 and 10%, both at total solids) and four times (20, 50, 70 and 90 days of composting). The slaughterhouse waste was composted with a bulking agent at a ratio of 3:1, and the mixtures of waste and the tested additives were placed in nylon bags. The piles reached thermophilic temperatures soon after the process started and following turnings. The reductions of volatile solids, carbon, hemicellulose, cellulose and lignin were not influenced by the additives, resulting in averages of 69.1, 67.1, 62.1, 51.6 and 35.3%, respectively. The control showed greater N losses (58.38%), compared to the treatments with additives. The inclusions of biochar yielded an average loss of 48.47% N, while 10% of glycerin resulted in the lowest N losses (44.83%). The use of biochar and glycerin as additives in the composting of slaughterhouse waste is recommended in order to decrease N losses and improve the concentration of nutrients, without compromising the biodegradation of organic components.
Perioperative risk prediction using the POSSUM and V-POSSUM models in	symptomatic carotid stenosis
Authors: Micheel Anita , Konietschke Frank , Hinterseher Irene , Kapahnke Sebastian , Bürger Matthias , Raude Ben , Schawe Larissa , Omran Safwan , Greiner Andreas , Frese Jan Paul
Published: March 2022

Summary: Background: This study aimed to evaluate risk factors for adverse outcomes and perioperative stroke and death in patients with symptomatic carotid stenosis undergoing open endarterectomy (CEA). The second objective was to assess the predictive value of the POSSUM and V-POSSUM models for predicting morbidity and mortality from CEA in symptomatic carotid stenosis. Patients and methods: A retrospective observational study of all patients admitted to a single center who underwent CEA for symptomatic carotid stenosis was performed. 320 patients from 1999 to 2013 were included. Postoperative complications, 30-day survival, and stroke rates were recorded. The observed outcomes were compared to the POSSUM and V-POSSUM expected mortality (observed to expected ratio (O:E)). Results: The mean age was 68.1±10.0 years. 215 patients were male (67%). Risk factors for surgical complications were: age, with a higher risk in both groups of less than 60 years and more than 75 years of age (p=0.04), a higher ASA score (p=0.04), and hyperlipidemia (p=0.017). Risk factors for the combined endpoint stroke or death were a higher ASA category (p<0.001), stroke as indication for CEA (p 0.022), and a high degree of stenosis (p=0.019). For POSSUM predicted mortality, there was a good O:E ratio in the two lowest risk groups, but a 2-fold overprediction of death or stroke in the two high-risk strata. The area under the curve (AUC) was 0.58 (95% CI: 0.43–0.73). The V-POSSUM showed a better fit in the high-risk groups, but an underprediction of mortality in the low-risk strata. Conclusions: Age and comorbid conditions are risk factors for adverse outcomes after CEA. The V-POSSUM model is better than POSSUM to predict postoperative death and stroke after CEA in patients with symptomatic carotid stenosis and a high preoperative physiological score. In patients with low physiological scores, both POSSUM and V-POSSUM show a limited predictive value.
Frequency Shifting Steady‐State Surface NMR Signals to Avoid Problematic Narrowband‐Noise Sources
Authors: Grombacher D. , Griffiths M. P. , Liu L. , Vang M. Ø. , Larsen J. J.
Published: March 2022

Recent developments in surface nuclear magnetic resonance (NMR) based on steady‐state sequences show great enhancements in signal quality and mapping speeds. We demonstrate how manipulating the timing and phase of these sequences can shift the NMR signal away from problematic narrow‐band noise sources, for example, co‐frequency powerline harmonics, or shift narrowband noise sources away from the NMR signal. The spectral separation of the NMR signal from co‐frequency noise sources enables production of high‐quality data under one of the most challenging noise scenarios in surface NMR. We demonstrate the feasibility with surface NMR measurements at a site where the Larmor frequency coincides with a powerline harmonic. We separate the NMR signal and powerline noise by up to 5 Hz and obtain high‐quality data, which are readily inverted. The approach is straightforward to implement, well suited for field processing, and shows great potential to expand the range of conditions allowing surface NMR measurements.
Developing a Plume‐in‐Grid Model for Plume Evolution in the Stratosphere
Authors: Sun Hongwei , Eastham Sebastian , Keith David
Published: March 2022

Stratospheric emissions from aircraft or rockets are important sources of chemical perturbations. Small‐radius high‐aspect‐ratio plumes from stratospheric emissions are smaller than global Eulerian models' grid cells. To help global Eulerian models resolve subgrid plumes in the stratosphere, a Lagrangian plume model, comprising a Lagrangian trajectory model and an adaptive‐grid plume model with a sequence of plume cross‐section representations (from a highly resolved 2‐D grid to a simplified 1‐D grid based on a tradeoff between the accuracy and computational cost), is created and embedded into a global Eulerian (i.e., GEOS‐Chem) model to establish a multiscale Plume‐in‐Grid (PiG) model. We compare this PiG model to the GEOS‐Chem model based on a 1‐month simulation of continuous inert tracer emissions by aircraft in the stratosphere. In the PiG results, the final injected tracer is more concentrated and approximately 1/3 of the tracer is at concentrations 2–4 orders of magnitude larger compared to the GEOS‐Chem results. The entropy of injected tracer in the PiG results is 6% lower than the GEOS‐Chem results, indicating less tracer mixing. The total product mass from a hypothetical second‐order process (applied to the injected tracer) in the PiG results is 2 orders of magnitude larger than the GEOS‐Chem results. Increasing the GEOS‐Chem model's horizontal resolution 4‐fold is insufficient to resolve this product difference, while requiring over seven times the computational resources of the PiG model. This paper describes the PiG model framework and parameterization of plume physical processes. Chemical and aerosol processes will be introduced in the future.
Quantifying the Effects of Bed Roughness on Transit Time Distributions via Direct Numerical Simulations of Turbulent Hyporheic Exchange
Authors: Shen Guangchen , Yuan Junlin , Phanikumar Mantha S.
Published: March 2022

We report direct numerical simulation (DNS) results of hyporheic exchange for a flat river bed with two different particle roughness textures, at a surface flow friction Reynolds number of 395 and a bed permeability Reynolds number of 2.6. Transit time distributions (TTDs), subsurface flow patterns, and the interfacial volumetric fluxes are discussed. The transit time was quantified using a forward particle tracking method based on pure advection by three‐dimensional, pore‐resolved, time‐mean velocities. Results show that bed roughness induces deep subsurface flow paths that yield a TTD with a power‐law tail. Roughness obstructs the surface flow, creating interfacial pressure variations which induce subsurface flow. Next, the molecular diffusion is accounted for based on a random walk method and is shown to increase transit times regardless of roughness texture. This work demonstrates that particle roughness on a macroscopically flat sediment bed can induce significant hyporheic exchange that is fundamentally similar to that induced by bedforms.
The secretion profile of mesenchymal stem cells and potential applications in treating human diseases
Authors: Han Yuyi , Yang Jianxin , Fang Jiankai , Zhou Yipeng , Candi Eleonora , Wang Jihong , Hua Dong , Shao Changshun , Shi Yufang
Published: March 2022

Mesenchymal stromal/stem cells (MSCs) possess multi-lineage differentiation and self-renewal potentials. MSCs-based therapies have been widely utilized for the treatment of diverse inflammatory diseases, due to the potent immunoregulatory functions of MSCs. An increasing body of evidence indicates that MSCs exert their therapeutic effects largely through their paracrine actions. Growth factors, cytokines, chemokines, extracellular matrix components, and metabolic products were all found to be functional molecules of MSCs in various therapeutic paradigms. These secretory factors contribute to immune modulation, tissue remodeling, and cellular homeostasis during regeneration. In this review, we summarize and discuss recent advances in our understanding of the secretory behavior of MSCs and the intracellular communication that accounts for their potential in treating human diseases.
The changing landscape for the management of patients with neovascular AMD: brolucizumab in clinical practice
Authors: Pearce Ian , Amoaku Winfried , Bailey Clare , Downey Louise , Gale Richard , Ghanchi Faruque , Hamilton Robin , Mahmood Sajjad , Menon Geeta , Nosek Jenny , Talks James , Yang Yit
Published: March 2022

Untreated neovascular age-related macular degeneration (nAMD) can lead to severe and permanent visual impairment. The chronic nature of the disease can have a significant impact on patients’ quality of life and an economic and time burden on medical retina (MR) services, with the care need outweighing the growth of resources that clinical services can access. The introduction of a new treatment into clinical services can be challenging, especially for services that are already under capacity constraints. Guidance for practical implementation is therefore helpful. Roundtable meetings, facilitated by Novartis UK, between a working group of MR experts with experience of leading and managing NHS retinal services in the intravitreal era were conducted between 2020 and 2021. These meetings explored various aspects and challenges of introducing a new anti-vascular endothelial growth factor (VEGF) therapy to the UK medical retina services. Provision of clear expert recommendations and practical guidance nationally, that can be adapted locally as required to support clinicians and healthcare professionals (HCPs), is valuable in supporting the introduction of a new anti-VEGF therapy within the NHS environment. The experts provide ophthalmologic HCPs with a collation of insights and recommendations to support the introduction and delivery of brolucizumab in their local service in the face of current and projected growth in demand for retina care.
Asymmetric peptidoglycan editing generates cell curvature in Bdellovibrio predatory bacteria
Authors: Banks Emma J. , Valdivia-Delgado Mauricio , Biboy Jacob , Wilson Amber , Cadby Ian T. , Vollmer Waldemar , Lambert Carey , Lovering Andrew L. , Sockett R. Elizabeth
Published: March 2022

Peptidoglycan hydrolases contribute to the generation of helical cell shape in Campylobacter and Helicobacter bacteria, while cytoskeletal or periskeletal proteins determine the curved, vibrioid cell shape of Caulobacter and Vibrio. Here, we identify a peptidoglycan hydrolase in the vibrioid-shaped predatory bacterium Bdellovibrio bacteriovorus which invades and replicates within the periplasm of Gram-negative prey bacteria. The protein, Bd1075, generates cell curvature in B. bacteriovorus by exerting LD-carboxypeptidase activity upon the predator cell wall as it grows inside spherical prey. Bd1075 localizes to the outer convex face of B. bacteriovorus; this asymmetric localization requires a nuclear transport factor 2-like (NTF2) domain at the protein C-terminus. We solve the crystal structure of Bd1075, which is monomeric with key differences to other LD-carboxypeptidases. Rod-shaped Δbd1075 mutants invade prey more slowly than curved wild-type predators and stretch invaded prey from within. We therefore propose that the vibrioid shape of B. bacteriovorus contributes to predatory fitness.
Siwi cooperates with Par-1 kinase to resolve the autoinhibitory effect of Papi for Siwi-piRISC biogenesis
Authors: Yamada Hiromi , Nishida Kazumichi M. , Iwasaki Yuka W. , Isota Yosuke , Negishi Lumi , Siomi Mikiko C.
Published: March 2022

Bombyx Papi acts as a scaffold for Siwi-piRISC biogenesis on the mitochondrial surface. Papi binds first to Siwi via the Tudor domain and subsequently to piRNA precursors loaded onto Siwi via the K-homology (KH) domains. This second action depends on phosphorylation of Papi. However, the underlying mechanism remains unknown. Here, we show that Siwi targets Par-1 kinase to Papi to phosphorylate Ser547 in the auxiliary domain. This modification enhances the ability of Papi to bind Siwi-bound piRNA precursors via the KH domains. The Papi S547A mutant bound to Siwi, but evaded phosphorylation by Par-1, abrogating Siwi-piRISC biogenesis. A Papi mutant that lacked the Tudor and auxiliary domains escaped coordinated regulation by Siwi and Par-1 and bound RNAs autonomously. Another Papi mutant that lacked the auxiliary domain bound Siwi but did not bind piRNA precursors. A sophisticated mechanism by which Siwi cooperates with Par-1 kinase to promote Siwi-piRISC biogenesis was uncovered.
Direct investigation of the reorientational dynamics of A-site cations in 2D organic-inorganic hybrid perovskite by solid-state NMR
Authors: Lin Cheng-Chieh , Huang Shing-Jong , Wu Pei-Hao , Chen Tzu-Pei , Huang Chih-Ying , Wang Ying-Chiao , Chen Po-Tuan , Radeva Denitsa , Petrov Ognyan , Gelev Vladimir M. , Sankar Raman , Chen Chia-Chun , Chen Chun-Wei , Yu Tsyr-Yan
Published: March 2022

Limited methods are available for investigating the reorientational dynamics of A-site cations in two-dimensional organic–inorganic hybrid perovskites (2D OIHPs), which play a pivotal role in determining their physical properties. Here, we describe an approach to study the dynamics of A-site cations using solid-state NMR and stable isotope labelling. 2H NMR of 2D OIHPs incorporating methyl-d3-ammonium cations (d3-MA) reveals the existence of multiple modes of reorientational motions of MA. Rotational-echo double resonance (REDOR) NMR of 2D OIHPs incorporating 15N- and ¹³C-labeled methylammonium cations (13C,15N-MA) reflects the averaged dipolar coupling between the C and N nuclei undergoing different modes of motions. Our study reveals the interplay between the A-site cation dynamics and the structural rigidity of the organic spacers, so providing a molecular-level insight into the design of 2D OIHPs.
Crystal structure prediction by combining graph network and optimization algorithm
Authors: Cheng Guanjian , Gong Xin-Gao , Yin Wan-Jian
Published: March 2022

Crystal structure prediction is a long-standing challenge in condensed matter and chemical science. Here we report a machine-learning approach for crystal structure prediction, in which a graph network (GN) is employed to establish a correlation model between the crystal structure and formation enthalpies at the given database, and an optimization algorithm (OA) is used to accelerate the search for crystal structure with lowest formation enthalpy. The framework of the utilized approach (a database + a GN model + an optimization algorithm) is flexible. We implemented two benchmark databases,i.e., the open quantum materials database (OQMD) and Matbench (MatB), and three OAs,i.e., random searching (RAS), particle-swarm optimization (PSO) and Bayesian optimization (BO), that can predict crystal structures at a given number of atoms in a periodic cell. The comparative studies show that the GN model trained on MatB combined with BO,i.e., GN(MatB)-BO, exhibit the best performance for predicting crystal structures of 29 typical compounds with a computational cost three orders of magnitude less than that required for conventional approaches screening structures through density functional theory calculation. The flexible framework in combination with a materials database, a graph network, and an optimization algorithm may open new avenues for data-driven crystal structural predictions.
Prediction of quality of life in schizophrenia using machine learning models on data from Clinical Antipsychotic Trials of Intervention Effectiveness (CATIE) schizophrenia trial
Authors: Beaudoin Mélissa , Hudon Alexandre , Giguère Charles-Edouard , Potvin Stéphane , Dumais Alexandre
Published: March 2022

While research focus remains mainly on psychotic symptoms, it is questionable whether we are placing enough emphasis on improving the quality of life (QoL) of schizophrenia patients. To date, the predictive power of QoL remained limited. Therefore, this study aimed to accurately predict the QoL within schizophrenia using supervised learning methods. The authors report findings from participants of a large randomized, double-blind clinical trial for schizophrenia treatment. Potential predictors of QoL included all available and non-redundant variables from the dataset. By optimizing parameters, three linear LASSO regressions were calculated (N = 697, 692, and 786), including 44, 47, and 41 variables, with adjusted R-squares ranging from 0.31 to 0.36. Best predictors included social and emotion-related symptoms, neurocognition (processing speed), education, female gender, treatment attitudes, and mental, emotional, and physical health. These results demonstrate that machine learning is an excellent predictive tool to process clinical data. It appears that the patient’s perception of their treatment has an important impact on patients’ QoL and that interventions should consider this aspect.

Trial registration: ClinicalTrials.gov Identifier: NCT00014001.
Selection drives convergent gene expression changes during transitions to co-sexuality in haploid sexual systems
Authors: Cossard Guillaume G. , Godfroy Olivier , Nehr Zofia , Cruaud Corinne , Cock J. Mark , Lipinska Agnieszka P. , Coelho Susana M.
Published: March 2022

Co-sexuality has evolved repeatedly from unisexual (dioicous) ancestors across a wide range of taxa. However, the molecular changes underpinning this important transition remain unknown, particularly in organisms with haploid sexual systems such as bryophytes, red algae and brown algae. Here we explore four independent events of emergence of co-sexuality from unisexual ancestors in brown algal clades to examine the nature, evolution and degree of convergence of gene expression changes that accompany the breakdown of dioicy. The amounts of male versus female phenotypic differences in dioicous species were not correlated with the extent of sex-biased gene expression, in stark contrast to what is observed in animals. Although sex-biased genes exhibited a high turnover rate during brown alga diversification, some of their predicted functions were conserved across species. Transitions to co-sexuality consistently involved adaptive gene expression shifts and rapid sequence evolution, particularly for male-biased genes. Gene expression in co-sexual species was more similar to that in females rather than males of related dioicous species, suggesting that co-sexuality may have arisen from ancestral females. Finally, extensive convergent gene expression changes, driven by selection, were associated with the transition to co-sexuality. Together, our observations provide insights on how co-sexual systems arise from ancestral, haploid UV sexual systems.
Whole-genome risk prediction of common diseases in human preimplantation embryos
Authors: Kumar Akash , Im Kate , Banjevic Milena , Ng Pauline C. , Tunstall Tate , Garcia Geronimo , Galhardo Luisa , Sun Jiayi , Schaedel Oren N. , Levy Brynn , Hongo Donna , Kijacic Dusan , Kiehl Michelle , Tran Nam D. , Klatsky Peter C. , Rabinowitz Matthew
Published: March 2022

Preimplantation genetic testing (PGT) of in-vitro-fertilized embryos has been proposed as a method to reduce transmission of common disease; however, more comprehensive embryo genetic assessment, combining the effects of common variants and rare variants, remains unavailable. Here, we used a combination of molecular and statistical techniques to reliably infer inherited genome sequence in 110 embryos and model susceptibility across 12 common conditions. We observed a genotype accuracy of 99.0–99.4% at sites relevant to polygenic risk scoring in cases from day-5 embryo biopsies and 97.2–99.1% in cases from day-3 embryo biopsies. Combining rare variants with polygenic risk score (PRS) magnifies predicted differences across sibling embryos. For example, in a couple with a pathogenic BRCA1 variant, we predicted a 15-fold difference in odds ratio (OR) across siblings when combining versus a 4.5-fold or 3-fold difference with BRCA1 or PRS alone. Our findings may inform the discussion of utility and implementation of genome-based PGT in clinical practice.
Presence of CrkI-containing microvesicles in squamous cell carcinomas could have ramifications on tumor biology and cancer therapeutics
Authors: Mohamed Mohamed F. , Al-Khudari Samer , Cassini-Vieira Puebla , Erra Amani , Bagabas Reem , Houser Thomas , Stenson Kerstin , Bhayani Mihir , Jelinek Michael J. , Bishehsari Faraz , Kuzel Timothy M. , Shafikhani Sasha H.
Published: March 2022

Recently, we described a phenomenon whereby apoptotic cells generate and release CrkI-containing microvesicles, which stimulate proliferation in surrounding cells upon contact to compensate for their own demise. We termed these microvesicles “ACPSVs” for Apoptotic Compensatory Proliferation Signaling microvesicles. As immune cells and a majority of current cancer therapeutics destroy tumor cells primarily by apoptosis, we conducted a small pilot study to assess the possibility that ACPSVs may also be generated in squamous cell carcinomas. We first evaluated a primary and a metastatic squamous cell carcinoma cancer cell lines for their ability to produce ACPSVs under normal and apoptotic conditions. We next conducted a pilot study to assess the occurrence of ACPSVs in solid tumors extracted from 20 cancer patients with squamous cell carcinomas. Both cancer cell lines produced copious amounts of ACPSVs under apoptotic conditions. Interestingly, the metastatic squamous cell carcinoma cancer cell line also produced high levels of ACPSVs under healthy condition, suggesting that the ability to generate ACPSVs may be hijacked by these cells. Importantly, ACPSVs were also abundant in the solid tumors of all squamous cell carcinoma cancer patients. Detection of ACPSVs in cancer has potentially important ramifications in tumor biology and cancer therapeutics which warrants further investigation.
Transgenerational effects of grandparental and parental diets combine with early-life learning to shape adaptive foraging phenotypes in Amblyseius swirskii
Authors: Schausberger Peter , Rendon Dalila
Published: March 2022

Transgenerational effects abound in animals. While a great deal of research has been dedicated to the effects of maternal stressors such as diet deficiency, social deprivation or predation risk on offspring phenotypes, we have a poor understanding of the adaptive value of transgenerational effects spanning across multiple generations under benign conditions and the relative weight of multigenerational effects. Here we show that grandparental and parental diet experiences combine with personal early-life learning to form adaptive foraging phenotypes in adult plant-inhabiting predatory mitesAmblyseius swirskii. Our findings provide insights into transgenerational plasticity caused by persistent versus varying conditions in multiple ancestral generations and show that transgenerational effects may be adaptive in non-matching ancestor and offspring environments.
Design of a gold clustering site in an engineered apo-ferritin cage
Authors: Lu Chenlin , Maity Basudev , Peng Xue , Ito Nozomi , Abe Satoshi , Sheng Xiang , Ueno Takafumi , Lu Diannan
Published: March 2022

Water-soluble and biocompatible protein-protected gold nanoclusters (Au NCs) hold great promise for numerous applications. However, design and precise regulation of their structure at an atomic level remain challenging. Herein, we have engineered and constructed a gold clustering site at the 4-fold symmetric axis channel of the apo-ferritin cage. Using a series of X-ray crystal structures, we evaluated the stepwise accumulation process of Au ions into the cage and the formation of a multinuclear Au cluster in our designed cavity. We also disclosed the role of key residues in the metal accumulation process. X-ray crystal structures in combination with quantum chemical (QC) calculation revealed a unique Au clustering site with up to 12 Au atoms positions in the cavity. Moreover, the structure of the gold nanocluster was precisely tuned by the dosage of the Au precursor. As the gold concentration increases, the number of Au atoms position at the clustering site increases from 8 to 12, and a structural rearrangement was observed at a higher Au concentration. Furthermore, the binding affinity order of the four Au binding sites on apo-ferritin was unveiled with a stepwise increase of Au precursor concentration.
Emergent half-metal at finite temperatures in a Mott insulator
Authors: Jana Gour , Joshi Abhishek , Pal Subhajyoti , Mukherjee Anamitra
Published: March 2022

Sustaining exotic quantum mechanical phases at high temperatures is a long-standing goal of condensed matter physics. Among them, half-metals are spin-polarized conductors that are essential for realizing room-temperature spin current sources. However, typical half-metals are low-temperature phases whose spin polarization rapidly deteriorates with temperature increase. Here, we first show that a low-temperature insulator with an unequal charge gap for the two spin channels can arise from competing Mott and band insulating tendencies. We establish that thermal fluctuations can drive this insulator to a half-metal through a first-order phase transition by closing the charge gap for one spin channel. This half-metal has 100% spin polarization at the onset temperature of metallization. Further, varying the strength of electron repulsion can enhance the onset temperature while preserving spin polarization. We outline experimental scenarios for realizing this tunable finite temperature half-metal.
Tensor-network study of correlation-spreading dynamics in the two-dimensional Bose-Hubbard model
Authors: Kaneko Ryui , Danshita Ippei
Published: March 2022

Recent developments in analog quantum simulators based on cold atoms and trapped ions call for cross-validating the accuracy of quantum-simulation experiments with use of quantitative numerical methods; however, it is particularly challenging for dynamics of systems with more than one spatial dimension. Here we demonstrate that a tensor-network method running on classical computers is useful for this purpose. We specifically analyze real-time dynamics of the two-dimensional Bose-Hubbard model after a sudden quench starting from the Mott insulator by means of the tensor-network method based on infinite projected entangled pair states. Calculated single-particle correlation functions are found to be in good agreement with a recent experiment. By estimating the phase and group velocities from the single-particle and density-density correlation functions, we predict how these velocities vary in the moderate interaction region, which serves as a quantitative benchmark for future experiments and numerical simulations.
A universal probe system for low-abundance point mutation detection based on endonuclease IV
Authors: Jiang Ping , Dong Kejun , Zhang Wei , Wang Hongbo , Xiao Xianjin , Chen Na , Cheng Yanxiang
Published: March 2022

Universal probe system for low-abundance point mutation detection based on endonuclease IV.
Multi-step electrodeposited Ni–Co–P@LDH nanocomposites for high-performance interdigital asymmetric micro-supercapacitors
Authors: Zhan Jianhui , Yang Hui , Zhang Qilong , Zong Quan , Du Wei , Wang Qianqian
Published: March 2022

The Ni–Co–P@LDH nanocomposites with outstanding mass specific capacitance were electrodeposited on one finger of a conductive interdigital Au/PET substrate with FeOOH nanosheets on the other to fabricate an AMSC device.
Novel solution synthesis of the overlooked cubic phase Cu2GeTe3 nanocrystals for optoelectronic devices
Authors: Wang Wenliang , Zhao Yutong , Liu Mengxue , Zhang Wenqian , Zhang Wenxiu , Tang Mengqi , Feng Wenling , Sun Xue , Song Yingqi , Yi Menglin , Wang Weihua
Published: March 2022

Cubic phase, monodispersed size and uniform shape Cu2GeTe3 nanocrystals exhibiting excellent optoelectronic properties have been for the first time synthesized by a facile colloidal method.
Protective role of Siberian onions against toxin-induced liver dysfunction: an insight into health-promoting effects
Authors: Jiang Yu-Chen , Han Xin , Dou Jia-Yi , Yuan Ming-Hui , Zhou Mei-Jie , Cui Zhen-Yu , Lian Li-Hua , Nan Ji-Xing , Zhang Xian , Wu Yan-Ling
Published: March 2022

Siberian onions (SOs) are delicious wild vegetables.
Wool fabrics decorated with carbon-based conductive ink for low-voltage heaters
Authors: Souri Hamid , Bhattacharyya Debes
Published: March 2022

CWFs are prepared by a multi-step coating process using hybrid of GNPs/CB in DI water followed by the cold-pressing process. CWFs are used as heaters and a concept of large size heating device based on arrays of CWFs is designed and fabricated.
Featurization strategies for polymer sequence or composition design by machine learning
Authors: Patel Roshan A. , Borca Carlos H. , Webb Michael A.
Published: March 2022

In this work, we present, evaluate, and analyze strategies for representing polymer chemistry to machine learning models for the advancement of data-driven sequence or composition design of macromolecules.
Can two-step ablation combined with chemotherapeutic liposomes achieve better outcome than traditional RF ablation? A solid tumor animal study
Authors: Zhao Kun , Wu Hao , Yang Wei , Cheng Yuxi , Wang Song , Jiang An-na , Yan Kun , Goldberg S Nahum
Published: March 2022

To determine whether two-step ablation using sequential low and high temperature heating can achieve improved outcomes in animal tumor models when combined with chemotherapeutic liposomes (LP).
Dynamic covalent hydrogel of natural product baicalin with antibacterial activities
Authors: Wang Zhen-Zhen , Jia Yuan , Wang Guoqiang , He Hongjuan , Cao Lihua , Shi Yanmei , Miao Mingsan , Li Xiu-Min
Published: March 2022

We discovered a dynamic covalent hydrogel with 3D pore structure, in which baicalin were linked by boronate esters. The baicalin hydrogel displayed remarkable thixotropy, moldability, self-healing, and multi-stimuli-responsive properties.
Enhancing operational stability in perovskite solar cells by solvent-free encapsulation method
Authors: Salado Manuel , Payno David , Ahmad Shahzada
Published: March 2022

The use of a photo-curable monomer as sealant offers a fast encapsulation process paving the way to the development of an efficient method to protect high efficient solar cells in the long-term period.
Engineering mesophase stability and structure via incorporation of cyclic terminal groups
Authors: Mandle Richard J. , Abbott Laurence C. , Fritsch Luma , Parker Rachel R. , Hart Sam , Whitwood Adrian C. , Cowling Stephen J. , Moore John N. , Goodby John W.
Published: March 2022

The installation of an aliphatic ring at the end of the alkyl chain for a family of 4-alkoxy-4′-cyanobiphenyl liquid crystals is shown to enhance clearing points and promotes the formation of smectic phases, relative to the linear parent materials.
Greenhouse gas and air pollutant emissions from power barges (powerships)
Authors: Marais Eloise A. , Akker Orianna , Wiedinmyer Christine
Published: March 2022

Powerships that operate on natural gas are an emerging source of greenhouse gases and air pollutants in Africa, Asia, the Middle East, and the Caribbean where these offer a fast fix for energy deficits.
A combination of polarity reversal, Diels–Alder cycloaddition and skeletal remodeling to access pyridine-fused nitrones
Authors: Han Huabin , Li Chaoyang , Niu Xinyue , Wang Yuxia , Zhang Wenjing , Wang Qilin
Published: March 2022

An unprecedented cascade strategy consisting of piperidine-promoted polarity reversal, normal electron-demand Diels–Alder cycloaddition and skeletal remodeling was developed to construct structurally novel pyridine-fused nitrones in up to 82% yield.
Native carboxyl group-assisted C–H acetoxylation of hydrocinnamic and phenylacetic acids
Authors: Wang Xinchao , Wang Hang , Zhou Chunlin , Yang Lei , Fu Lei , Li Gang
Published: March 2022

Exogenous-directing-group free C–H acetoxylation of hydrocinnamic and phenylacetic acid derivatives is reported.