bluuebunny/crossref_metadata_2025_split huggingface dataset:
Revealing solid electrolyte interphase formation through interface-sensitive Operando X-ray absorption spectroscopy
Authors: Swallow Jack E. N. , Fraser Michael W. , Kneusels Nis-Julian H. , Charlton Jodie F. , Sole Christopher G. , Phelan Conor M. E. , Björklund Erik , Bencok Peter , Escudero Carlos , Pérez-Dieste Virginia , Grey Clare P. , Nicholls Rebecca J. , Weatherup Robert S. 
Published: October 2022

AbstractThe solid electrolyte interphase (SEI) that forms on Li-ion battery anodes is critical to their long-term performance, however observing SEI formation processes at the buried electrode-electrolyte interface is a significant challenge. Here we show that operando soft X-ray absorption spectroscopy in total electron yield mode can resolve the chemical evolution of the SEI during electrochemical formation in a Li-ion cell, with nm-scale interface sensitivity. O, F, and Si K-edge spectra, acquired as a function of potential, reveal when key reactions occur on high-capacity amorphous Si anodes cycled with and without fluoroethylene carbonate (FEC). The sequential formation of inorganic (LiF) and organic (-(C=O)O-) components is thereby revealed, and results in layering of the SEI. The addition of FEC leads to SEI formation at higher potentials which is implicated in the rapid healing of SEI defects and the improved cycling performance observed. Operando TEY-XAS offers new insights into the formation mechanisms of electrode-electrolyte interphases and their stability for a wide variety of electrode materials and electrolyte formulations.
Hemipiperazines as peptide-derived molecular photoswitches with low-nanomolar cytotoxicity
Authors: Kirchner Susanne , Leistner Anna-Lena , Gödtel Peter , Seliwjorstow Angelika , Weber Sven , Karcher Johannes , Nieger Martin , Pianowski Zbigniew 
Published: October 2022

AbstractMolecular photoswitches transform light energy into reversible structural changes. Their combination with known pharmacophores often allows for photomodulation of the biological activity. The effort to apply such compounds in photopharmacology as light-activated pro-drugs is, however, hampered by serious activity reduction upon pharmacophore modifications, or limited biostability. Here we report that a potent antimitotic agent plinabulin and its derivatives demonstrate up to 56-fold reversible activity photomodulation. Alternatively, irreversible photoactivation with cyan light can enhance the cytotoxicity up to three orders of magnitude—all without compromising the original activity level, as the original pharmacophore structure is unchanged. This occurs due to the presence of a peptide-derived photoswitchable motif hemipiperazine inside the plinabulin scaffold. Furthermore, we systematically describe photochromism of these thermally stable and biocompatible hemipiperazines, as well as a photoswitchable fluorophore derived from plinabulin. The latter may further expand the applicability of hemipiperazine photochromism towards super-resolution microscopy.
Layered Pd oxide on PdSn nanowires for boosting direct H2O2 synthesis
Authors: Li Hong-chao , Wan Qiang , Du Congcong , Zhao Jiafei , Li Fumin , Zhang Ying , Zheng Yanping , Chen Mingshu , Zhang Kelvin H. L. , Huang Jianyu , Fu Gang , Lin Sen , Huang Xiaoqing , Xiong Haifeng 
Published: October 2022

AbstractHydrogen peroxide (H2O2) has the wide range of applications in industry and living life. However, the development of the efficient heterogeneous catalyst in the direct H2O2 synthesis (DHS) from H2 and O2 remains a formidable challenge because of the low H2O2 producibility. Herein, we develop a two-step approach to prepare PdSn nanowire catalysts, which comprises Pd oxide layered on PdSn nanowires (PdL/PdSn-NW). The PdL/PdSn-NW displays superior reactivity in the DHS at zero Celcius, presenting the H2O2 producibility of 528 mol kgcat−1·h−1 and H2O2 selectivity of >95%. A layer of Pd oxide on the PdSn nanowire generates bi-coordinated Pd, leading to the different adsorption behaviors of O2, H2 and H2O2 on the PdL/PdSn-NW. Furthermore, the weak adsorption of H2O2 on the PdL/PdSn-NW contributes to the low activation energy and high H2O2 producibility. This surface engineering approach, depositing metal layer on metal nanowires, provides a new insight in the rational designing of efficient catalyst for DHS.
A steep switching WSe2 impact ionization field-effect transistor
Authors: Choi Haeju , Li Jinshu , Kang Taeho , Kang Chanwoo , Son Hyeonje , Jeon Jongwook , Hwang Euyheon , Lee Sungjoo 
Published: October 2022

AbstractThe Fermi-Dirac distribution of carriers and the drift-diffusion mode of transport represent two fundamental barriers towards the reduction of the subthreshold slope (SS) and the optimization of the energy consumption of field-effect transistors. In this study, we report the realization of steep-slope impact ionization field-effect transistors (I2FETs) based on a gate-controlled homogeneous WSe2 lateral junction. The devices showed average SS down to 2.73 mV/dec over three decades of source-drain current and an on/off ratio of ~106 at room temperature and low bias voltages (<1 V). We determined that the lucky-drift mechanism of carriers is valid in WSe2, allowing our I2FETs to have high impact ionization coefficients and low SS at room temperature. Moreover, we fabricated a logic inverter based on a WSe2 I2FET and a MoS2 FET, exhibiting an inverter gain of 73 and almost ideal noise margin for high- and low-logic states. Our results provide a promising approach for developing functional devices as front runners for energy-efficient electronic device technology.
Towards fully ab initio simulation of atmospheric aerosol nucleation
Authors: Jiang Shuai , Liu Yi-Rong , Huang Teng , Feng Ya-Juan , Wang Chun-Yu , Wang Zhong-Quan , Ge Bin-Jing , Liu Quan-Sheng , Guang Wei-Ran , Huang Wei 
Published: October 2022

AbstractAtmospheric aerosol nucleation contributes to approximately half of the worldwide cloud condensation nuclei. Despite the importance of climate, detailed nucleation mechanisms are still poorly understood. Understanding aerosol nucleation dynamics is hindered by the nonreactivity of force fields (FFs) and high computational costs due to the rare event nature of aerosol nucleation. Developing reactive FFs for nucleation systems is even more challenging than developing covalently bonded materials because of the wide size range and high dimensional characteristics of noncovalent hydrogen bonding bridging clusters. Here, we propose a general workflow that is also applicable to other systems to train an accurate reactive FF based on a deep neural network (DNN) and further bridge DNN-FF-based molecular dynamics (MD) with a cluster kinetics model based on Poisson distributions of reactive events to overcome the high computational costs of direct MD. We found that previously reported acid-base formation rates tend to be significantly underestimated, especially in polluted environments, emphasizing that acid-base nucleation observed in multiple environments should be revisited.
A globally relevant stock of soil nitrogen in the Yedoma permafrost domain
Authors: Strauss Jens , Biasi Christina , Sanders Tina , Abbott Benjamin W. , von Deimling Thomas Schneider , Voigt Carolina , Winkel Matthias , Marushchak Maija E. , Kou Dan , Fuchs Matthias , Horn Marcus A. , Jongejans Loeka L. , Liebner Susanne , Nitzbon Jan , Schirrmeister Lutz , Walter Anthony Katey , Yang Yuanhe , Zubrzycki Sebastian , Laboor Sebastian , Treat Claire , Grosse Guido 
Published: October 2022

AbstractNitrogen regulates multiple aspects of the permafrost climate feedback, including plant growth, organic matter decomposition, and the production of the potent greenhouse gas nitrous oxide. Despite its importance, current estimates of permafrost nitrogen are highly uncertain. Here, we compiled a dataset of >2000 samples to quantify nitrogen stocks in the Yedoma domain, a region with organic-rich permafrost that contains ~25% of all permafrost carbon. We estimate that the Yedoma domain contains 41.2 gigatons of nitrogen down to ~20 metre for the deepest unit, which increases the previous estimate for the entire permafrost zone by ~46%. Approximately 90% of this nitrogen (37 gigatons) is stored in permafrost and therefore currently immobile and frozen. Here, we show that of this amount, ¾ is stored >3 metre depth, but if partially mobilised by thaw, this large nitrogen pool could have continental-scale consequences for soil and aquatic biogeochemistry and global-scale consequences for the permafrost feedback.
Insights into memory effect mechanisms of layered double hydroxides with solid-state NMR spectroscopy
Authors: Jin Li , Zhou Xiaoyuan , Wang Fang , Ning Xiang , Wen Yujie , Song Benteng , Yang Changju , Wu Di , Ke Xiaokang , Peng Luming 
Published: October 2022

AbstractLayered double oxides (LDOs) can restore the parent layered double hydroxides (LDHs) structure under hydrous conditions, and this “memory effect” plays a critical role in the applications of LDHs, yet the detailed mechanism is still under debate. Here, we apply a strategy based on ex situ and in situ solid-state NMR spectroscopy to monitor the Mg/Al-LDO structure changes during recovery at the atomic scale. Despite the common belief that aqueous solution is required, we discover that the structure recovery can occur in a virtually solid-state process. Local structural information obtained with NMR spectroscopy shows that the recovery in aqueous solution follows dissolution-recrystallization mechanism, while the solid-state recovery is retro-topotactic, indicating a true “memory effect”. The amount of water is key in determining the interactions of water with oxides, thus the memory effect mechanism. The results also provide a more environmentally friendly and economically feasible LDHs preparation route.
Unweaving the population structure and genetic diversity of Canadian shrub willow
Authors: Murphy Emily K. , Cappa Eduardo P. , Soolanayakanahally Raju Y. , El-Kassaby Yousry A. , Parkin Isobel A. P. , Schroeder William R. , Mansfield Shawn D. 
Published: October 2022

AbstractPerennial shrub willow are increasingly being promoted in short-rotation coppice systems as biomass feedstocks, for phytoremediation applications, and for the diverse ecosystem services that can accrue. This renewed interest has led to widespread willow cultivation, particularly of non-native varieties. However, Canadian willow species have not been widely adopted and their inherent diversity has not yet been thoroughly investigated. In this study, 324 genotypes ofSalix famelicaandSalix eriocephalacollected from 33 sites of origin were analyzed using 26,016 single nucleotide polymorphisms to reveal patterns of population structure and genetic diversity. Analyses by Bayesian methods and principal component analysis detected five main clusters that appeared to be largely shaped by geoclimatic variables including mean annual precipitation and the number of frost-free days. The overall observed (HO) and expected (HE) heterozygosity were 0.126 and 0.179, respectively. An analysis of molecular variance revealed that the highest genetic variation occurred within genotypes (69%), while 8% of the variation existed among clusters and 23% between genotypes within clusters. These findings provide new insights into the extent of genetic variation that exists within native shrub willow species which could be leveraged in pan-Canadian willow breeding programs.
Water production function and optimal irrigation schedule for rice (Oryza sativa L.) cultivation with drip irrigation under plastic film-mulched
Authors: He Jinyu , Ma Bo , Tian Juncang 
Published: October 2022

AbstractThis study determined the Water Production Function (WPF) and Optimal Irrigation Schedule (OIS) for rice (Oryzasativa L.) cultivated with drip irrigation under plastic film. Six different field capacity levels were established, 100% (W1), 90% (W2), 80% (W3), 70% (W4) and 60% (W5). The results showed that, the rice growth and yields and quality were significantly affected by the different irrigation treatments. The rice height and yield decreased from W1to W4, the W2 is the highest yield. The lower the amount of irrigation water applied was, the higher the Irrigation Water Use Efficiency values were. A WPF model was established for this cropping system, and the water sensitivity indices calculated by the mathematical model showed that the crop water sensitivity decreased in the order booting stage > flowering stage > tillering stage > filling stage. Based on this result, the OIS determined by the dynamic solution of several models was as follows: the optimal irrigation levels were 750 m3 ha−1 in the tillering stage, 2125 m3 ha−1 in the jointing-booting stage, 1050 m3 ha−1 in the heading-flowering stage and 325 m3 ha−1 in the milk stage. The WPF and OIS developed in this study provide a theoretical basis for the implementation of rice cultivation with drip irrigation under plastic film in arid regions of China.
Aminoglycosides use has a risk of acute kidney injury in patients without prior chronic kidney disease
Authors: Chou Chu-Lin , Chuang Nai-Chen , Chiu Hui-Wen , Liao Chia-Te , Hsu Yung-Ho , Chang Tzu-Hao 
Published: October 2022

AbstractThe outcome of acute kidney injury (AKI) as a result of aminoglycosides (AGs) use remains uncertain in patients without prior chronic kidney disease (CKD). Therefore, we explored the outcomes of AGs use on AKI episodes associated with renal recovery and progress in patients without prior CKD in Taiwan. This was a retrospective cohort study by using the Taipei Medical University Research Database from January 2008 to December 2019. 43,259 individuals without CKD who had received parenteral AGs were enrolled. The exposed and unexposed groups underwent propensity score matching for age, gender, patients in intensive care unit/emergency admission, and covariates, except serum hemoglobin and albumin levels. We identified an exposed group of 40,547 patients who used AGs (median age, 54.4 years; 44.3% male) and an unexposed group of 40,547 patients without AG use (median age, 55.7 years; 45.5% male). There was the risk for AKI stage 1 (adjusted hazard ratio [HR] 1.34; 95% confidence interval [CI] 1.00–1.79; p = 0.05) in patients that used AGs in comparison with the control subjects. Moreover, patients using AGs were significantly associated neither with the progression to acute kidney disease (AKD) stages nor with the progression to end-stage renal disease (ESRD) on dialysis. Further analyzed, there was an increased risk of AKI episodes for serum albumin levels less than 3.0 g/dL and hemoglobin levels less than 11.6 g/dL. Among patients without prior CKD, AGs-used individuals were associated with AKI risks, especially those at relatively low albumin (< 3.0 g/dL) or low hemoglobin (< 11.6 g/dL). That could raise awareness of AGs prescription in those patients in clinical practice.
Sewage sludge as substrate in Schinus terebinthifolia raddi seedlings commercial production
Authors: Alonso Jorge Makhlouta , Pereira Renato Nunes , Abel Elton Luis da Silva , Ochoski Marjorie , dos Santos Gilsonley Lopes , de Abreu Alan Henrique Marques 
Published: October 2022

AbstractSchinus terebinthifolia Raddi is a species with several potential uses; selecting the proper substrate and fertilizer rate can be vital for seedling production in a nursery environment. This study aims to evaluate two substrates, namely: (i) sewage sludge (SS) from Ilha WWTP; (ii) a commercial substrate (CS) made of organic materials (mainly sphagnum peat). Increasing rates of controlled-release fertilizer – CRF (0, 3, 6, and 12 kg m−3) were applied. The experiment was completely randomized with a factorial 2 × 4 scheme (substrates × rates). The seedlings’ growth, biomass, and quality were evaluated. The treatments were compared by Tukey test and regression analysis, where linear, quadratic, and cubic models were considered. Principal components analysis (PCA) and cluster analysis were performed. The CRF rates showed non-significant effects for most of the investigated variables in the SS substrate. In the CS, a 7.8 kg m−3 rate of CRF showed the best growth performance. The multivariate analysis of the morphological parameters proved suitable as a complementary approach to evaluate the seedlings’ quality. Seedlings reached recommended values for height, diameter, and quality in the 100% SS substrate without chemical fertilizers; thus, Schinus terebinthifolia production in the SS from Ilha is recommended. Besides the growth advantage, the SS can promote nursery cost savings with commercial substrates and chemical fertilizers.
Hierarchical topological model of the factors influencing adolescents' non-suicidal self-injury behavior based on the DEMATEL-TAISM method
Authors: Lan Zhensong , Pau Kee , Mohd Yusof Hapsah , Huang Xuefang 
Published: October 2022

AbstractThis study analyzed the factors influencing adolescents' non-suicidal self-injury (NSSI) behavior and their interrelationships, and established a total influencing factor model. Through a literature analysis and semi-structured interviews with 87 adolescents and 27 experts in Guangxi Province, China, 13 influencing factors were identified from six aspects: physiological factors, cognitive factors, emotional factors, social support factors, social environment, and NSSI behavior. A system of factors influencing adolescents' NSSI behavior and a model of the factors influencing the comprehensive antagonism multilevel explanatory structure were obtained using a combination of Decision-Making Trial and Evaluation Laboratory technique and Total Adversarial Interpretive Structural Model. In descending order, NSSI, emotional state, self-efficacy, and self-cognition influenced adolescents' NSSI behavior. Social environment, exercise, and recreation had a greater impact on other factors, while NSSI, emotional regulation ability, and emotional state were greatly affected by other factors. Emotion regulation ability, self-cognition, self-efficacy, family support, school support, social support, and sleep were found to be the core factors influencing NSSI behavior of adolescents. These factors could be used to directly intervene in adolescent NSSI behavior. Timely treatment of adolescents' negative emotional states is directly conducive to preventing NSSI behavior and alleviating its severity.
First serological evidence of Q fever in large ruminants and its associated risk factors in Punjab, Pakistan
Authors: Hussain Sabir , Hussain Abrar , Aziz Muhammad Umair , Song Baolin , Zeb Jehan , Hasib F. M. Yasir , Li Jun , Rehman Abdul , George David , Cabezas-Cruz Alejandro , Sparagano Olivier 
Published: October 2022

AbstractCoxiellosis, also known as Q fever, is a zoonotic disease caused byCoxiella burnetii, a gram-negative bacterium that exerts a significant deleterious impact on the productive and reproductive capabilities of livestock, severely effecting the economics of this sector. In this study, 448 sera samples from cattle (n = 224) and buffalo (n = 224) were collected from 112 farms in Pakistan and examined for antibodies againstC. burnetiiusing an indirect ELISA. Ticks were also collected from these animals. Serological analysis revealed a 23.66% and 27.23% seroprevalence of Q fever in cattle and buffalo, respectively. Odds ratio (OR) analysis of the factors associated withC. burnetiiseropositivity was performed, and a multivariable logistic model identified five main variables associated with the seropositivity for coxiellosis. These were: (i) the absence of acaricide use (OR 5.61; 95% CI 2.97–10.94); (ii) the presence of ticks (OR 3.23; 95% CI 1.87–5.69); (iii) the abortion history during the preceding year on the farm (OR 14.96; 95% CI 8.09–29.34); (iv) the presence of sheep and goats (OR 2.47; 95% CI 1.20–5.35); and (v) the absence of a separate parturition area (OR 3.17; 95% CI 1.76–5.86). This study provides new insights into the seroprevalence of Q fever in large ruminants across seven studied districts of Punjab, Pakistan, also providing baseline data to inform improved herd management and on-farm practices for the prevention and control of Q fever in large ruminants in the region. Results of this work suggest that further molecular investigation of coxiellosis is warranted to provide a more thorough evaluation ofC. burnetiiepidemiology in Pakistan.
Spatio-temporal distribution and hotspots of Plasmodium knowlesi infections in Sarawak, Malaysian Borneo
Authors: Yunos Nur Emyliana , Sharkawi Hamidi Mohamad , Hii King Ching , Hu Ting Huey , Mohamad Dayang Shuaisah Awang , Rosli Nawal , Masron Tarmiji , Singh Balbir , Divis Paul Cliff Simon 
Published: October 2022

AbstractPlasmodium knowlesi infections in Malaysia are a new threat to public health and to the national efforts on malaria elimination. In the Kapit division of Sarawak, Malaysian Borneo, two divergent P. knowlesi subpopulations (termed Cluster 1 and Cluster 2) infect humans and are associated with long-tailed macaque and pig-tailed macaque hosts, respectively. It has been suggested that forest-associated activities and environmental modifications trigger the increasing number of knowlesi malaria cases. Since there is a steady increase of P. knowlesi infections over the past decades in Sarawak, particularly in the Kapit division, we aimed to identify hotspots of knowlesi malaria cases and their association with forest activities at a geographical scale using the Geographic Information System (GIS) tool. A total of 1064 P. knowlesi infections from 2014 to 2019 in the Kapit and Song districts of the Kapit division were studied. Overall demographic data showed that males and those aged between 18 and 64 years old were the most frequently infected (64%), and 35% of infections involved farming activities. Thirty-nine percent of Cluster 1 infections were mainly related to farming surrounding residential areas while 40% of Cluster 2 infections were associated with activities in the deep forest. Average Nearest Neighbour (ANN) analysis showed that humans infected with both P. knowlesi subpopulations exhibited a clustering distribution pattern of infection. The Kernel Density Analysis (KDA) indicated that the hotspot of infections surrounding Kapit and Song towns were classified as high-risk areas for zoonotic malaria transmission. This study provides useful information for staff of the Sarawak State Vector-Borne Disease Control Programme in their efforts to control and prevent zoonotic malaria.
Efficacy of Moraceae with chlorhexidine mouthwash on the microbial flora of critically ill intubated patients: a randomized controlled pilot study
Authors: Siriyanyongwong Pasu , Teanpaisan Rawee , Pahumunto Nuntiya , Uppanisakorn Supattra , Vattanavanit Veerapong 
Published: October 2022

AbstractCritically ill intubated patients are routinely provided with chlorhexidine (CHX) for their mouth washing, but CHX mouthwash induces several complications. In this study, we aimed to evaluate the efficacy and safety of Moraceae with CHX mouthwash in the reduction of oral bacterial count in critically ill patients and to compare it with CHX-alone mouthwash. This double-blind, randomized, controlled trial included critically ill patients receiving mechanical ventilation. The patients were randomly divided into two groups based on the Modified Beck oral assessment score. The primary endpoint was a reduction in oral bacterial counts after mouth washing on day 1 and day 4. Thirty patients were included in this study; 15 patients received Moraceae with CHX mouthwash and 15 patients received CHX-alone mouthwash. The oral bacterial counts in the Moraceae with CHX group did not differ from the CHX group after mouth washing on day 1 and day 4 of admission. The patients in the CHX group experienced more intolerable taste than those in the Moraceae group (60% vs. 13.3%, P = 0.008). Moraceae with CHX mouthwash had the same effectiveness as CHX alone on bacterial flora but exhibited less intolerable side effects than CHX alone.Trial registration: TCTR20190530003; 30/05/2019.