bluuebunny/crossref_metadata_2025 huggingface dataset:
ACE2-independent infection of T lymphocytes by SARS-CoV-2
Authors: Shen Xu-Rui , Geng Rong , Li Qian , Chen Ying , Li Shu-Fen , Wang Qi , Min Juan , Yang Yong , Li Bei , Jiang Ren-Di , Wang Xi , Zheng Xiao-Shuang , Zhu Yan , Jia Jing-Kun , Yang Xing-Lou , Liu Mei-Qin , Gong Qian-Chun , Zhang Yu-Lan , Guan Zhen-Qiong , Li Hui-Ling , Zheng Zhen-Hua , Shi Zheng-Li , Zhang Hui-Lan , Peng Ke , Zhou Peng
Published: March 2022

SARS-CoV-2 induced marked lymphopenia in severe patients with COVID-19. However, whether lymphocytes are targets of viral infection is yet to be determined, although SARS-CoV-2 RNA or antigen has been identified in T cells from patients. Here, we confirmed that SARS-CoV-2 viral antigen could be detected in patient peripheral blood cells (PBCs) or postmortem lung T cells, and the infectious virus could also be detected from viral antigen-positive PBCs. We next prove that SARS-CoV-2 infects T lymphocytes, preferably activated CD4 + T cells in vitro. Upon infection, viral RNA, subgenomic RNA, viral protein or viral particle can be detected in the T cells. Furthermore, we show that the infection is spike-ACE2/TMPRSS2-independent through using ACE2 knockdown or receptor blocking experiments. Next, we demonstrate that viral antigen-positive T cells from patient undergone pronounced apoptosis. In vitro infection of T cells induced cell death that is likely in mitochondria ROS-HIF-1a-dependent pathways. Finally, we demonstrated that LFA-1, the protein exclusively expresses in multiple leukocytes, is more likely the entry molecule that mediated SARS-CoV-2 infection in T cells, compared to a list of other known receptors. Collectively, this work confirmed a SARS-CoV-2 infection of T cells, in a spike-ACE2-independent manner, which shed novel insights into the underlying mechanisms of SARS-CoV-2-induced lymphopenia in COVID-19 patients.
New AKT-dependent mechanisms of anti-COVID-19 action of high-CBD Cannabis sativa extracts
Authors: Wang Bo , Li Dongping , Fiselier Anna , Kovalchuk Igor , Kovalchuk Olga
Published: March 2022

COVID-19 is caused by the SARS-CoV-2 virus, which enters target cells via interactions with ACE2 and TMPRSS2. Here, we show AKT serine/threonine kinase-dependent epigenetic control of ACE2 and TMPRSS2 expression by high-cannabidiol (CBD) cannabis extracts and their individual components. CBD alone and extracts #1, #5, #7, and #129 downregulated ACE2 and TMPRSS2 in lung fibroblast WI-38 cells through AKT-mediated inhibition. miR-200c-3p and let-7a-5p were two contributing miRNAs in CBD-mediated suppression of ACE2 and TMPRSS2. CBD and terpene PTWT2.2 profoundly inhibited ACE2 and TMPRSS2 expression, both individually and in combination. Extracts #1, #5, #7, and #169 suppressed COX2 expression and remarkably attenuated TNFα/IFNγ-triggered induction of proinflammatory factors IL-6 and IL-8 by AKT pathway. The most abundant molecules present in extracts #1 and #7 modulated the expression of COX2, IL-6, and IL-8 both individually and in combination. These results reveal that high-CBD cannabis extracts attenuated ACE2 and TMPRSS2 expression and the induction of inflammatory mediators COX2, IL-6, and IL-8 via the AKT pathway, highlighting their potential anti-COVID-19 features.
STEP to blood pressure management of elderly hypertension: evidence from Asia
Authors: Zhang Wei-li , Cai Jun
Published: March 2022

With a rapidly aging population, adequate blood pressure (BP) control is critical for hypertension management and prevention of cardiovascular events. Impressive cardiovascular benefits have been observed with intensive BP control (SBP target, <120 mmHg) in the SPRINT (Systolic Blood Pressure Intervention Trial) study, even in patients 75 years of age or older. A most recent meta-analysis including 51 randomized trials with over 350,000 participants from the BPLTTC (The Blood Pressure Lowering Treatment Trialists’ Collaboration) showed that BP lowering is effective in older people for reducing major cardiovascular events. The STEP (Strategy of Blood Pressure Intervention in the Elderly Hypertensive Patients) study—a multicenter, randomized, controlled trial conducted in China, provided important evidence that intensive BP treatment (SBP target, 110 mmHg to <130 mmHg) benefits older hypertensive patients (aged 60–80 years) and reduced the incidence of cardiovascular events than standard treatment (target 130 mmHg to <150 mmHg). Because Asian people have a higher burden of hypertension and stroke than Caucasian people, intensive BP treatment has more advantages in reducing the risk of cardiovascular events including stroke in Asian hypertensive patients than in Caucasian people. Home BP monitoring is helpful to facilitate hypertension management for older patients. It should also be noted that clinical decision-making should be on a patient basis, such as fragility, diabetes, stroke, and other comorbidities, with tailored BP targets. Here we review the important clinical trials of BP control in elderly hypertension, interpretate the main findings of STEP, and also discuss the perspectives of managing hypertension in Asia.
Structural basis for modulation of human NaV1.3 by clinical drug and selective antagonist
Authors: Li Xiaojing , Xu Feng , Xu Hao , Zhang Shuli , Gao Yiwei , Zhang Hongwei , Dong Yanli , Zheng Yanchun , Yang Bei , Sun Jianyuan , Zhang Xuejun Cai , Zhao Yan , Jiang Daohua
Published: March 2022

Voltage-gated sodium (NaV) channels play fundamental roles in initiating and propagating action potentials. NaV1.3 is involved in numerous physiological processes including neuronal development, hormone secretion and pain perception. Here we report structures of human NaV1.3/β1/β2 in complex with clinically-used drug bulleyaconitine A and selective antagonist ICA121431. Bulleyaconitine A is located around domain I-II fenestration, providing the detailed view of the site-2 neurotoxin binding site. It partially blocks ion path and expands the pore-lining helices, elucidating how the bulleyaconitine A reduces peak amplitude but improves channel open probability. In contrast, ICA121431 preferentially binds to activated domain IV voltage-sensor, consequently strengthens the Ile-Phe-Met motif binding to its receptor site, stabilizes the channel in inactivated state, revealing an allosterically inhibitory mechanism of NaV channels. Our results provide structural details of distinct small-molecular modulators binding sites, elucidate molecular mechanisms of their action on NaV channels and pave a way for subtype-selective therapeutic development.
High-energy and low-cost membrane-free chlorine flow battery
Authors: Hou Singyuk , Chen Long , Fan Xiulin , Fan Xiaotong , Ji Xiao , Wang Boyu , Cui Chunyu , Chen Ji , Yang Chongyin , Wang Wei , Li Chunzhong , Wang Chunsheng
Published: March 2022

Grid-scale energy storage is essential for reliable electricity transmission and renewable energy integration. Redox flow batteries (RFB) provide affordable and scalable solutions for stationary energy storage. However, most of the current RFB chemistries are based on expensive transition metal ions or synthetic organics. Here, we report a reversible chlorine redox flow battery starting from the electrolysis of aqueous NaCl electrolyte and the as-produced Cl2 is extracted and stored in the carbon tetrachloride (CCl4) or mineral spirit flow. The immiscibility between the CCl4 or mineral spirit and NaCl electrolyte enables a membrane-free design with an energy efficiency of >91% at 10 mA/cm2 and an energy density of 125.7 Wh/L. The chlorine flow battery can meet the stringent price and reliability target for stationary energy storage with the inherently low-cost active materials (~$5/kWh) and the highly reversible Cl2/Cl− redox reaction.
Deep tissue localization and sensing using optical microcavity probes
Authors: Kavčič Aljaž , Garvas Maja , Marinčič Matevž , Unger Katrin , Coclite Anna Maria , Majaron Boris , Humar Matjaž
Published: March 2022

Optical microcavities and microlasers were recently introduced as probes inside living cells and tissues. Their main advantages are spectrally narrow emission lines and high sensitivity to the environment. Despite numerous novel methods for optical imaging in strongly scattering biological tissues, imaging at single-cell resolution beyond the ballistic light transport regime remains very challenging. Here, we show that optical microcavity probes embedded inside cells enable three-dimensional localization and tracking of individual cells over extended time periods, as well as sensing of their environment, at depths well beyond the light transport length. This is achieved by utilizing unique spectral features of the whispering-gallery modes, which are unaffected by tissue scattering, absorption, and autofluorescence. In addition, microcavities can be functionalized for simultaneous sensing of various parameters, such as temperature or pH value, which extends their versatility beyond the capabilities of standard fluorescent labels.
Efficient Kerr soliton comb generation in micro-resonator with interferometric back-coupling
Authors: Boggio J. M. Chavez , Bodenmüller D. , Ahmed S. , Wabnitz S. , Modotto D. , Hansson T.
Published: March 2022

Nonlinear Kerr micro-resonators have enabled fundamental breakthroughs in the understanding of dissipative solitons, as well as in their application to optical frequency comb generation. However, the conversion efficiency of the pump power into a soliton frequency comb typically remains below a few percent. We fabricate and characterize a hybrid Mach-Zehnder ring resonator geometry, consisting of a micro-ring resonator embedded in an additional cavity with twice the optical path length of the ring. The resulting interferometric back coupling enables to achieve an unprecedented control of the pump depletion: pump-to-frequency comb conversion efficiencies of up to 55% of the input pump power is experimentally demonstrated with a soliton crystal comb. We assess the robustness of the proposed on-chip geometry by generating a large variety of dissipative Kerr soliton combs, which require a lower amount of pump power to be accessed, when compared with an isolated micro-ring resonator with identical parameters. Micro-resonators with feedback enable accessing new regimes of coherent soliton comb generation, and are well suited for comb applications in astronomy, spectroscopy and telecommunications.
The synergistic effect of Hf-O-Ru bonds and oxygen vacancies in Ru/HfO2 for enhanced hydrogen evolution
Authors: Li Guangkai , Jang Haeseong , Liu Shangguo , Li Zijian , Kim Min Gyu , Qin Qing , Liu Xien , Cho Jaephil
Published: March 2022

Ru nanoparticles have been demonstrated to be highly active electrocatalysts for the hydrogen evolution reaction (HER). At present, most of Ru nanoparticles-based HER electrocatalysts with high activity are supported by heteroatom-doped carbon substrates. Few metal oxides with large band gap (more than 5 eV) as the substrates of Ru nanoparticles are employed for the HER. By using large band gap metal oxides substrates, we can distinguish the contribution of Ru nanoparticles from the substrates. Here, a highly efficient Ru/HfO2composite is developed by tuning numbers of Ru-O-Hf bonds and oxygen vacancies, resulting in a 20-fold enhancement in mass activity over commercial Pt/C in an alkaline medium. Density functional theory (DFT) calculations reveal that strong metal-support interaction via Ru-O-Hf bonds and the oxygen vacancies in the supported Ru samples synergistically lower the energy barrier for water dissociation to improve catalytic activities.
Comprehensive 3D epigenomic maps define limbal stem/progenitor cell function and identity
Authors: Li Mingsen , Huang Huaxing , Wang Bofeng , Jiang Shaoshuai , Guo Huizhen , Zhu Liqiong , Wu Siqi , Liu Jiafeng , Wang Li , Lan Xihong , Zhang Wang , Zhu Jin , Li Fuxi , Tan Jieying , Mao Zhen , Liu Chunqiao , Ji Jianping , Ding Junjun , Zhang Kang , Yuan Jin , Liu Yizhi , Ouyang Hong
Published: March 2022

The insights into how genome topology couples with epigenetic states to govern the function and identity of the corneal epithelium are poorly understood. Here, we generate a high-resolution Hi-C interaction map of human limbal stem/progenitor cells (LSCs) and show that chromatin multi-hierarchical organisation is coupled to gene expression. By integrating Hi-C, epigenome and transcriptome data, we characterize the comprehensive 3D epigenomic landscapes of LSCs. We find that super-silencers mediate gene repression associated with corneal development, differentiation and disease via chromatin looping and/or proximity. Super-enhancer (SE) interaction analysis identified a set of SE interactive hubs that contribute to LSC-specific gene activation. These active and inactive element-anchored loop networks occur within the cohesin-occupied CTCF-CTCF loops. We further reveal a coordinated regulatory network of core transcription factors based on SE-promoter interactions. Our results provide detailed insights into the genome organization principle for epigenetic regulation of gene expression in stratified epithelia.
The methyl phosphate capping enzyme Bmc1/Bin3 is a stable component of the fission yeast telomerase holoenzyme
Authors: Porat Jennifer , El Baidouri Moaine , Grigull Jorg , Deragon Jean-Marc , Bayfield Mark A.
Published: March 2022

The telomerase holoenzyme is critical for maintaining eukaryotic genome integrity. In addition to a reverse transcriptase and an RNA template, telomerase contains additional proteins that protect the telomerase RNA and promote holoenzyme assembly. Here we report that the methyl phosphate capping enzyme (MePCE) Bmc1/Bin3 is a stable component of the S. pombe telomerase holoenzyme. Bmc1 associates with the telomerase holoenzyme and U6 snRNA through an interaction with the recently described LARP7 family member Pof8, and we demonstrate that these two factors are evolutionarily linked in fungi. Our data suggest that the association of Bmc1 with telomerase is independent of its methyltransferase activity, but rather that Bmc1 functions in telomerase holoenzyme assembly by promoting TER1 accumulation and Pof8 recruitment to TER1. Taken together, this work yields new insight into the composition, assembly, and regulation of the telomerase holoenzyme in fission yeast as well as the breadth of its evolutionary conservation.
Damage-tolerant material design motif derived from asymmetrical rotation
Authors: Wang Wei , Chen Shu Jian , Chen Weiqiang , Duan Wenhui , Lai Jia Zie , Sagoe-Crentsil Kwesi
Published: March 2022

Motifs extracted from nature can lead to significant advances in materials design and have been used to tackle the apparent exclusivity between strength and damage tolerance of brittle materials. Here we present a segmental design motif found in arthropod exoskeleton, in which asymmetrical rotational degree of freedom is used in damage control in contrast to the conventional interfacial shear failure mechanism of existing design motifs. We realise this design motif in a compression-resisting lightweight brittle material, demonstrating a unique progressive failure behaviour that preserves material integrity with 60–80% of load-bearing capacity at >50% of compressive strain. This rotational degree of freedom further enables a periodic energy absorbance pattern during failure yielding 200% higher strength than the corresponding cellular structure and up to 97.9% reduction of post-damage residual stress compared with ductile materials. Fifty material combinations covering 27 types of materials analysed display potential progressive failure behaviour by this design motif, thereby establishing a broad spectrum of potential applications of the design motif for advanced materials design, energy storage/conversion and architectural structures.
Complementary Operando Spectroscopy identification of in-situ generated metastable charge-asymmetry Cu2-CuN3 clusters for CO2 reduction to ethanol
Authors: Su Xiaozhi , Jiang Zhuoli , Zhou Jing , Liu Hengjie , Zhou Danni , Shang Huishan , Ni Xingming , Peng Zheng , Yang Fan , Chen Wenxing , Qi Zeming , Wang Dingsheng , Wang Yu
Published: March 2022

Copper-based materials can reliably convert carbon dioxide into multi-carbon products but they suffer from poor activity and product selectivity. The atomic structure-activity relationship of electrocatalysts for the selectivity is controversial due to the lacking of systemic multiple dimensions for operando condition study. Herein, we synthesized high-performance CO2RR catalyst comprising of CuO clusters supported on N-doped carbon nanosheets, which exhibited high C2+ products Faradaic efficiency of 73% including decent ethanol selectivity of 51% with a partial current density of 14.4 mA/cm−2 at −1.1 V vs. RHE. We evidenced catalyst restructuring and tracked the variation of the active states under reaction conditions, presenting the atomic structure-activity relationship of this catalyst. Operando XAS, XANES simulations and Quasi-in-situ XPS analyses identified a reversible potential-dependent transformation from dispersed CuO clusters to Cu2-CuN3 clusters which are the optimal sites. This cluster can’t exist without the applied potential. The N-doping dispersed the reduced Cun clusters uniformly and maintained excellent stability and high activity with adjusting the charge distribution between the Cu atoms and N-doped carbon interface. By combining Operando FTIR and DFT calculations, it was recognized that the Cu2-CuN3 clusters displayed charge-asymmetric sites which were intensified by CH3* adsorbing, beneficial to the formation of the high-efficiency asymmetric ethanol.
Efficient and universal characterization of atomic structures through a topological graph order parameter
Authors: Chapman James , Goldman Nir , Wood Brandon C.
Published: March 2022

A graph-based order parameter, based on the topology of the graph itself, is introduced for the characterization of atomistic structures. The order parameter is universal to any material/chemical system and is transferable to all structural geometries. Four sets of data are used to validate both the generalizability and accuracy of the algorithm: (1) liquid lithium configurations spanning up to 300 GPa, (2) condensed phases of carbon along with nanotubes and buckyballs at ambient and high temperature, (3) a diverse set of aluminum configurations including surfaces, compressed and expanded lattices, point defects, grain boundaries, liquids, nanoparticles, all at nonzero temperatures, and (4) eleven niobium oxide crystal phases generated with ab initio molecular dynamics. We compare our proposed method to existing, state-of-the-art methods for the cases of aluminum and niobium oxide. Our order parameter uniquely classifies every configuration and outperforms all studied existing methods, opening the door for its use in a multitude of complex application spaces that can require fine structure-level characterization of atomistic graphs.
Practical quantum tokens without quantum memories and experimental tests
Authors: Kent Adrian , Lowndes David , Pitalúa-García Damián , Rarity John
Published: March 2022

Unforgeable quantum money tokens were the first invention of quantum information science, but remain technologically challenging as they require quantum memories and/or long-distance quantum communication. More recently, virtual “S-money” tokens were introduced. These are generated by quantum cryptography, do not require quantum memories or long-distance quantum communication, and yet in principle guarantee many of the security advantages of quantum money. Here, we describe implementations of S-money schemes with off-the-shelf quantum key distribution technology, and analyse security in the presence of noise, losses, and experimental imperfection. Our schemes satisfy near-instant validation without cross-checking. We show that, given standard assumptions in mistrustful quantum cryptographic implementations, unforgeability and user privacy could be guaranteed with attainable refinements of our off-the-shelf setup. We discuss the possibilities for unconditionally secure (assumption-free) implementations.
High spatial resolution dataset of La Mobilière insurance customers
Authors: Battiston Alice , Massaro Emanuele , Binder Claudia R. , Schifanella Rossano
Published: March 2022

We present the La Mobilière insurance customers dataset: a 12-year-long longitudinal collection of data on policies of customers of the Swiss insurance company La Mobilière. To preserve the privacy of La Mobilière customers, we propose the data aggregated at two geographical levels, based on the place of residence of the customer: postal areas and municipalities. For each geographical area, the data provides summary statistics on: (i) the demographic characteristics of the customer base, (ii) characteristics of vehicles insurance policies and (iii) characteristics of housing and building insurance policies. To assess the validity of the data, we investigate the temporal consistency of the data and the representativeness of La Mobilière customer base along several dimensions (total population, percentage of foreigners, etc.). We also show how the insurance data can reliably model the spatial patterns of socio-economic indicators at a high geographical resolution. We believe that the reuse of this data provides an opportunity for researchers to broaden the socio-economic characterization of Swiss areas beyond the use of official data sources.
1024-channel electrophysiological recordings in macaque V1 and V4 during resting state
Authors: Chen Xing , Morales-Gregorio Aitor , Sprenger Julia , Kleinjohann Alexander , Sridhar Shashwat , van Albada Sacha J. , Grün Sonja , Roelfsema Pieter R.
Published: March 2022

Co-variations in resting state activity are thought to arise from a variety of correlated inputs to neurons, such as bottom-up activity from lower areas, feedback from higher areas, recurrent processing in local circuits, and fluctuations in neuromodulatory systems. Most studies have examined resting state activity throughout the brain using MRI scans, or observed local co-variations in activity by recording from a small number of electrodes. We carried out electrophysiological recordings from over a thousand chronically implanted electrodes in the visual cortex of non-human primates, yielding a resting state dataset with unprecedentedly high channel counts and spatiotemporal resolution. Such signals could be used to observe brain waves across larger regions of cortex, offering a temporally detailed picture of brain activity. In this paper, we provide the dataset, describe the raw and processed data formats and data acquisition methods, and indicate how the data can be used to yield new insights into the ‘background’ activity that influences the processing of visual information in our brain.
MOFSimplify, machine learning models with extracted stability data of three thousand metal–organic frameworks
Authors: Nandy Aditya , Terrones Gianmarco , Arunachalam Naveen , Duan Chenru , Kastner David W. , Kulik Heather J.
Published: March 2022

We report a workflow and the output of a natural language processing (NLP)-based procedure to mine the extant metal–organic framework (MOF) literature describing structurally characterized MOFs and their solvent removal and thermal stabilities. We obtain over 2,000 solvent removal stability measures from text mining and 3,000 thermal decomposition temperatures from thermogravimetric analysis data. We assess the validity of our NLP methods and the accuracy of our extracted data by comparing to a hand-labeled subset. Machine learning (ML, i.e. artificial neural network) models trained on this data using graph- and pore-geometry-based representations enable prediction of stability on new MOFs with quantified uncertainty. Our web interface, MOFSimplify, provides users access to our curated data and enables them to harness that data for predictions on new MOFs. MOFSimplify also encourages community feedback on existing data and on ML model predictions for community-based active learning for improved MOF stability models.
China’s environmental policy intensity for 1978–2019
Authors: Zhang Guoxing , Gao Yang , Li Jiexun , Su Bin , Chen Zhanglei , Lin Weichun
Published: March 2022

Improving the measurement of environmental policy intensity would affect not only the selection of variables in environmental policy research but also the research conclusions when evaluating policy effects. Because direct evaluation is lacking, the existing research usually applies data such as pollutant emission data, or the number of policies to construct proxy variables. However, these proxy variables are affected by many assumptions and different selection criteria, and they are inevitably accompanied by endogeneity problems. In this study, China’s environmental policy is comprehensively collected for the first time, and a machine learning algorithm is applied to evaluate the policy intensity. We provide all the policies issued by the Chinese government from 1978 to 2019 and the quantified intensity for each policy. We also distinguish all policies into three types according to their attributes. This dataset can help researchers to further understand China’s environmental policy system. In addition, it provides a valuable dataset for related research on evaluating environmental policy and recommending actions for further improvement.
VIB5 database with accurate ab initio quantum chemical molecular potential energy surfaces
Authors: Zhang Lina , Zhang Shuang , Owens Alec , Yurchenko Sergei N. , Dral Pavlo O.
Published: March 2022

High-level ab initio quantum chemical (QC) molecular potential energy surfaces (PESs) are crucial for accurately simulating molecular rotation-vibration spectra. Machine learning (ML) can help alleviate the cost of constructing such PESs, but requires access to the original ab initio PES data, namely potential energies computed on high-density grids of nuclear geometries. In this work, we present a new structured PES database called VIB5, which contains high-quality ab initio data on 5 small polyatomic molecules of astrophysical significance (CH3Cl, CH4, SiH4, CH3F, and NaOH). The VIB5 database is based on previously used PESs, which, however, are either publicly unavailable or lacking key information to make them suitable for ML applications. The VIB5 database provides tens of thousands of grid points for each molecule with theoretical best estimates of potential energies along with their constituent energy correction terms and a data-extraction script. In addition, new complementary QC calculations of energies and energy gradients have been performed to provide a consistent database, which, e.g., can be used for gradient-based ML methods.
A building height dataset across China in 2017 estimated by the spatially-informed approach
Authors: Yang Chen , Zhao Shuqing
Published: March 2022

As a fundamental aspect of the urban form, building height is a key attribute for reflecting human activities and human-environment interactions in the urban context. However, openly accessible building height maps covering the whole China remain sorely limited, particularly for spatially informed data. Here we developed a 1 km × 1 km resolution building height dataset across China in 2017 using Spatially-informed Gaussian process regression (Si-GPR) and open-access Sentinel-1 data. Building height estimation was performed using the spatially-explicit Gaussian process regression (GPR) in 39 major Chinese cities where the spatially explicit and robust cadastral data are available and the spatially-implicit GPR for the remaining 304 cities, respectively. The cross-validation results indicated that the proposed Si-GPR model overall achieved considerable estimation accuracy (R2 = 0.81, RMSE = 4.22 m) across the entire country. Because of the implementation of local modelling, the spatially-explicit GPR outperformed (R2 = 0.89, RMSE = 2.82 m) the spatially-implicit GPR (R2 = 0.72, RMSE = 6.46 m) for all low-rise, mid-rise, and high-rise buildings. This dataset, with extensive-coverage and high-accuracy, can support further studies on the characteristics, causes, and consequences of urbanization.
The combination of pre-neoadjuvant chemoradiotherapy inflammation biomarkers could be a prognostic marker for rectal cancer patients
Authors: Zhang Jing , Zhang Lin , Gou Yuanyuan , Diao Panya , Hu Yi
Published: March 2022

The neutrophil-to-lymphocyte ratio (NLR) and lymphocyte-to-monocyte ratio (LMR) have a strong association with prognosis in patients with Stage II/III rectal cancer (RC). We attempted to explore a new system combining these two ratios, named the NLM score, and examine its prognostic value in Stage II/III RC patients undergoing neoadjuvant chemoradiotherapy (NCRT). We retrospectively analyzed data of 237 stage II/III RC patients who underwent NCRT followed by standard TME in our hospital and defined the NLM score as follows: Score 2: pre-NCRT NLR > 2.565 and pre-NCRT LMR < 2.410. Score 1: (pre-NCRT NLR > 2.565 and pre-NCRT LMR > 2.410) OR (pre-NCRT NLR < 2.565 and pre-NCRT LMR < 2.410). Score 0: pre-NCRT NLR < 2.565 and pre-NCRT LMR > 2.410. Multivariate analyses implied that lower ypTNM stage (stage 0–I vs. II–III) (hazard ratio [HR] 0.420, 95% confidence interval [CI] 0.180–0.980 for OS; HR 0.375, 95% CI 0.163–0.862 for DFS) and an NLM score ≤ 1 (HR 0.288, 95% CI 0.134–0.619 for OS; HR 0.229, 95% CI 0.107–0.494 for DFS) could independently predict better overall survival (OS) and disease-free survival (DFS). The novel scoring system, which integrated pre-NCRT NLR and pre-NCRT LMR, was an independent prognostic factor in stage II/III RC patients undergoing NRCT and had better predictive values than these ratios alone.
Brain conditions mediate the association between aging and happiness
Authors: Kokubun Keisuke , Nemoto Kiyotaka , Yamakawa Yoshinori
Published: March 2022

As the population ages, the realization of a long and happy life is becoming an increasingly important issue in many societies. Therefore, it is important to clarify how happiness and the brain change with aging. In this study, which was conducted with 417 healthy adults in Japan, the analysis showed that fractional anisotropy (FA) correlated with happiness, especially in the internal capsule, corona radiata, posterior thalamic radiation, cingulum, and superior longitudinal fasciculus. According to previous neuroscience studies, these regions are involved in emotional regulation. In psychological studies, emotional regulation has been associated with improvement in happiness. Therefore, this study is the first to show that FA mediates the relationship between age and subjective happiness in a way that bridges these different fields.
Effects of oxygen fertilization on damage reduction in flooded snap bean (Phaseolus vulgaris L.)
Authors: Liu Danyang , Paul Anna-Lisa , Morgan Kelly T. , Liu Guodong
Published: March 2022

Flooding is one of the major abiotic stresses for vegetable production in Florida. Hydroponic and pot trials were conducted with snap bean to evaluate the effects of oxygen fertilization on the biochemical and physiological status of flooded snap bean plants. There were three treatments in the hydroponic trials were: (1) flooded (control), (2) bubble aeration with ambient air, and (3) hydrogen peroxide (H2O2) applied at the beginning of the trial. Plant health was evaluated by determining nitrogen (N) and phosphorus (P) uptake rates. The greenhouse pot trials were used to quantify the effects of three different application rates of solid oxygen fertilizers as calcium peroxide (CaO2) and magnesium peroxide (MgO2). The results showed that plant N and P uptake rates were significantly greater (p < 0.05) with H2O2 than without H2O2. The N uptake rates with H2O2 were like that of those with bubbling. The uptake rate of NH4+ was significantly greater than that of NO3− with the bubbling and H2O2 conditions, but the uptake rate of NO3− was significantly greater than that of NH4+ in the flooding condition. The plant height, leaf greenness, shoot biomass, and yield were all significantly greater with CaO2 or MgO2 than without either solid oxygen fertilizer. The minimum damage of flooded snap bean was found with 2 g CaO2 or 4 g MgO2 per pot. These results indicated that oxygen fertilization may potentially improve yield of flooded snap bean plants.
Reconstructing high fidelity digital rock images using deep convolutional neural networks
Authors: Bizhani Majid , Ardakani Omid Haeri , Little Edward
Published: March 2022

Imaging methods have broad applications in geosciences. Scanning electron microscopy (SEM) and micro-CT scanning have been applied for studying various geological problems. Despite significant advances in imaging capabilities, and image processing algorithms, acquiring high-quality data from images is still challenging and time-consuming.
Obtaining a 3D representative volume for a tight rock sample takes days to weeks. Image artifacts such as noise further complicate the use of imaging methods for the determination of rock properties. In this study, we present applications of several convolutional neural networks (CNN) for rapid image denoising, deblurring and super-resolving digital rock images. Such an approach enables rapid imaging of larger samples, which in turn improves the statistical relevance of the subsequent analysis. We demonstrate the application of several CNNs for image restoration applicable to scientific imaging. The results show that images can be denoised without a priori knowledge of the noise with great confidence. Furthermore, we show how attaching several CNNs in an end-to-end fashion can improve the final quality of reconstruction. Our experiments with SEM and CT scan images of several rock types show image denoising, deblurring and super-resolution can be performed simultaneously.
Evaluation of ethylene oxide, gamma radiation, dry heat and autoclave sterilization processes on extracellular matrix of biomaterial dental scaffolds
Authors: de Sousa Iwamoto Luciana Aparecida , Duailibi Mônica Talarico , Iwamoto Gerson Yoshinobu , de Oliveira Débora Cristina , Duailibi Silvio Eduardo
Published: March 2022

Scaffolds used to receive stem cells are a promising perspective of tissue regeneration research, and one of the most effective solutions to rebuild organs. In the near future will be possible to reconstruct a natural tooth using stems cells, but to avoid an immune-defensive response, sterilize the scaffold is not only desired, but also essential to be successful. A study confirmed stem cells extracted from rat’s natural teeth, and implanted into the alveolar bone, could differentiate themselves in dental cells, but the scaffold’s chemistry, geometry, density, morphology, adherence, biocompatibility and mechanical properties remained an issue. This study intended to produce a completely sterilized dental scaffold with preserved extracellular matrix. Fifty-one samples were collected, kept in formaldehyde, submitted to partial demineralization and decellularization processes and sterilized using four different methods: dry heating; autoclave; ethylene-oxide and gamma-radiation. They were characterized through optical images, micro-hardness, XRD, EDS, XRF, SEM, histology and sterility test. The results evidenced the four sterilization methods were fully effective with preservation of ECM molecular arrangements, variation on chemical composition (proportion of Ca/P) was compatible with Ca/P proportional variation between enamel and dentine regions. Gamma irradiation and ethylene oxide presents excellent results, but their viability are compromised by the costs and technology’s accessibility (requires very expensive equipment and/or consumables). Excepted gamma irradiation, all the sterilization methods more than sterilizing also reduced the remaining pulp. Autoclave presents easy equipment accessibility, lower cost consumables, higher reduction of remaining pulp and complete sterilization, reason why was considered the most promising technique.
Plasma-assisted three-dimensional lightscribe graphene as high-performance supercapacitors
Authors: Namdar Naser , Ghasemi Foad , Sanaee Zeinab
Published: March 2022

Graphene-based supercapacitors demonstrate extraordinary energy storage capacity due to their layered structure, large effective surface area, high electrical conductivity and acceptable chemical stability. Herein, reduced graphene oxide (rGO)-based supercapacitors were introduced in a simple, and fast method with considerable performance. For this purpose, graphene oxide (GO) was synthesized by the modified Hummers’ method and then easily reduced to desired patterns of rGO using a commercial LightScribe DVD drive. In order to increase the effective surface area, as well as the electrical conductivity of rGO layers, oxygen/sulfur hexafluoride plasma was applied to the rGO followed by laser irradiation. By performing such sequential processes, an rGO-based supercapacitor was introduced with a capacitance of about 10.2 F/cm3, which had high stability for more than 1000 consecutive charge–discharge cycles. The fabrication steps of the electrodes were investigated by different analyses such as SEM, TEM, Raman, surface resistance, BET, and XPS measurements. Results showed that these rGO-based electrodes fabricated by sequential processes are very interesting for practical applications of energy storage.
Accuracy of B-mode ultrasound and ARFI elastography in predicting malignancy of canine splenic lesions
Authors: Maronezi Marjury Cristina , Carneiro Rafael Kretzer , da Cruz Igor Cezar Kniphoff , de Oliveira Ana Paula Luiz , De Nardi Andrigo Barboza , Pavan Letícia , Del’Aguila-Silva Priscila , Uscategui Ricardo Andrés Ramirez , Feliciano Marcus Antônio Rossi
Published: March 2022

The objective was to evaluate the accuracy of B-mode ultrasonography and ARFI elastography in detecting malignancy in canine splenic lesions. Thirty-seven spleens with abnormalities (16 benign and 21 malignant) from dogs of different breeds and ages were evaluated. Echogenicity, echotexture, organ length and height were evaluated using B-mode. By ARFI elastography, tissue stiffness was evaluated qualitatively (elastogram) and quantitatively (measuring the shear wave velocity—SWV). Lesions were classified as diffuse, focal or multifocal (cranial, medial or caudal portion) and comparisons of the SWV between the injured and non-injured areas were performed. In the B-mode, no features were associated to malignancy (P > 0.05). In the elastogram, 35 spleens were non-deformable and 2 deformable, having no association with malignancy. The greater SWV was observed in malignant lesions (3.4 ± 0.6 m/s), followed by areas free from alterations (2.1 ± 0.3 m/s) and benign lesions (1.7 ± 0.5 m/s), with difference between groups (P < 0.0001). It was found that a SWV > 2.6 m/s indicates malignancy of canine splenic lesions (sensitivity of 95%, specificity of 100%, PPV of 100%, NPV of 94% and accuracy of 97%), concluding that ARFI elastography is a promising technique for differentiating malignancy in these lesions.
Spectroscopic analysis reveals that soil phosphorus availability and plant allocation strategies impact feedstock quality of nutrient-limited switchgrass
Authors: Hao Zhao , Wang Yuan , Ding Na , Saha Malay C. , Scheible Wolf-Rüdiger , Craven Kelly , Udvardi Michael , Nico Peter S. , Firestone Mary K. , Brodie Eoin L.
Published: March 2022

The perennial native switchgrass adapts better than other plant species do to marginal soils with low plant-available nutrients, including those with low phosphorus (P) content. Switchgrass roots and their associated microorganisms can alter the pools of available P throughout the whole soil profile making predictions of P availability in situ challenging. Plant P homeostasis makes monitoring of P limitation via measurements of plant P content alone difficult to interpret. To address these challenges, we developed a machine-learning model trained with high accuracy using the leaf tissue chemical profile, rather than P content. By applying this learned model in field trials across two sites with contrasting extractable soil P, we observed that actual plant available P in soil was more similar than expected, suggesting that adaptations occurred to alleviate the apparent P constraint. These adaptations come at a metabolic cost to the plant that have consequences for feedstock chemical components and quality. We observed that other biochemical signatures of P limitation, such as decreased cellulose-to-lignin ratios, were apparent, indicating re-allocation of carbon resources may have contributed to increased P acquisition. Plant P allocation strategies also differed across sites, and these differences were correlated with the subsequent year’s biomass yields.
Improving the performance of practical decoy-state quantum key distribution with advantage distillation technology
Authors: Li Hong-Wei , Zhang Chun-Mei , Jiang Mu-Sheng , Cai Qing-Yu
Published: March 2022

Quantum key distribution (QKD) provides a promising solution for sharing information-theoretic secret keys between two remote legitimate parties. To improve the maximal transmission distance and the maximal error rate tolerance, we apply the advantage distillation technology to analyze the security of practical decoy-state QKD systems. Based on the practical experimental parameters, the device-dependent QKD protocols and the measurement-device-independent QKD protocols have been respectively analyzed, and our analysis results demonstrate that the advantage distillation technology can significantly improve the performance of various QKD protocols. In the four-state and six-state device-dependent QKD protocols, we prove that the maximal transmission distance can be improved from 142 km to 180 km and from 146 km to 187 km respectively. In the four-state and six-state measurement-device-independent QKD protocols, we prove that the maximal transmission distance can be improved from 195 km to 273 km and from 200 km to 282 km respectively.
Disentangling enantiosensitivity from dichroism using bichromatic fields
Authors: Ordonez Andres F. , Smirnova Olga
Published: March 2022

Photoionization of chiral molecules with two-color fields leads to photoelectron signals that are enantio-sensitive but nevertheless independent of the ellipticity of the field and thus robust with respect to changes of the two-color relative phase.
Detecting residual chemical disinfectant using an atomic Co–Nx–C anchored neuronal-like carbon catalyst modified amperometric sensor
Authors: Li Zehui , Jiang Guangya , Wang Yaling , Tan Meijuan , Cao Youpeng , Tian Enze , Zhang Lingling , Chen Xiao , Zhao Mengze , Jiang Yuheng , Luo Yuyang , Zheng Yuanhao , Ma Zizhen , Wang Dongbin , Fu Wangyang , Liu Kaihui , Tang Cheng , Jiang Jingkun
Published: March 2022

The atomic Co–Nx–C anchored neuronal-like carbon catalyst modified electrochemical sensor can effectively detect H2O2 in personal protective equipment and sterilized water, ensuring their secure and efficient recycling during the COVID-19 pandemic.
Emerging investigator series: linking nanoparticle infiltration and stomatal dynamics for plant nanobionics
Authors: Koman Volodymyr B. , Park Minkyung , Lew Tedrick Thomas Salim , Wan Stefan , Yarwood Elliott S. , Gong Xun , Shikdar Tafsia S. , Oliver Ronald J. , Cui Jianqiao , Gordiichuk Pavlo , Sarojam Rajani , Strano Michael S.
Published: March 2022

We develop an automated infiltration platform and discover relationships for optimal incorporation of nanoparticles into living plants. Among others, these will benefit nanoscale sensors and genetic engineering approaches in plant nanobionics.
Selective hydrodeoxygenation of acetophenone derivatives using a Fe25Ru75@SILP catalyst: a practical approach to the synthesis of alkyl phenols and anilines
Authors: Goclik Lisa , Walschus Henrik , Bordet Alexis , Leitner Walter
Published: March 2022

Fe25Ru75@SILP acts as a highly active and selective catalyst for the hydrodeoxygenation of readily available hydroxy-, amino-, and nitro-acetophenone derivatives to valuable alkyl phenols and anilines.
Direct conversion of methane to methanol on boron nitride-supported copper single atoms
Authors: Wang Sanmei , Xin Yue , Yuan Jinyun , Wang Liangbing , Zhang Wenhua
Published: March 2022

Direct conversion of methane to methanol (DMTM) under mild conditions is one of the most attractive and challenging processes in catalysis.
Synthetic utility of biomimicking vanadium bromoperoxidase and n-tetrabutylammonium tribromide (TBATB) in organic synthesis
Authors: Belal Md. , Sarkar Satavisha , Subramanian Ranga , Khan Abu T.
Published: March 2022

The scope of biomimicking vanadium bromoperoxidase in producing bromonium ions and its further utilisation in conducting oxidative bromination or cleavage of various organic molecules has been described in this review.
Mesocrystalline effect in a NiTiO3/TiO2 nanocomposite for enhanced capacity of lithium-ion battery anodes
Authors: Wang Xing , Cheng Weijie , Hu Jiaqiao , Su Ying , Kong Xingang , Uemura Shinobi , Kusunose Takafumi , Feng Qi
Published: March 2022

Two kinds of NiTiO3/TiO2 nanocomposites can be synthesized from the layered HTO precursor. One is mesocrystalline NiTiO3/TiO2 nanocomposite from Ni-H2O2-HTO. Another is polycrystalline NiTiO3/TiO2 nanocomposite from Ni-H2O2-HTO-ns.
Insight into prognostics, diagnostics, and management strategies for SARS CoV-2
Authors: Amara Umay , Rashid Sidra , Mahmood Khalid , Nawaz Mian Hasnain , Hayat Akhtar , Hassan Maria
Published: March 2022

The foremost challenge in countering infectious diseases is the shortage of effective therapeutics.
Colloidal cubic diamond photonic crystals through cooperative self-assembly
Authors: Sun Yu-Wei , Li Zhan-Wei , Chen Zi-Qin , Zhu You-Liang , Sun Zhao-Yan
Published: March 2022

A new cooperative self-assembly strategy is proposed to construct colloidal cubic diamond photonic crystals by utilizing the triblock Janus colloids as a soft template to direct the packing of isotropic colloidal spheres into cubic diamond lattices.
High-performance composite separators based on the synergy of vermiculite and laponite for lithium-ion batteries
Authors: Xu Peijie , Yan Xiaoyun , Zhou Yi , Wang Chunyuan , Cheng Hongfei , Zhang Yihe
Published: March 2022

A series of PVDF/V/L composite separators are fabricated by using phase inversion method. The PVDF/V5/L5 has a coulombic efficiency of 99.5% after 100 cycles and a high capacity retention rate of 98.4%, which shows excellent rate performance.
Janus-type homo-, hetero- and mixed valence-bimetallic complexes with one metal encapsulated in a cyclodextrin
Authors: Wen Zhonghang , Maisonhaute Emmanuel , Zhang Yongmin , Roland Sylvain , Sollogoub Matthieu
Published: March 2022

A series of nine Janus bimetallic complexes was synthesized. Having one metal inside a cavity of a cyclodextrin allowed to control (trans)metalation and oxidation reactions at selected positions.
A simple and rapid method to assay SARS-CoV-2 RNA based on a primer exchange reaction
Authors: Li Dayong , Duan Chengjie , Cheng Wenting , gong Youjing , Yao Yanheng , Wang Xiaoping , Wang Zhongyun , Xiang Yang
Published: March 2022

Integrating the PER cascade and CRISPR/cas12 system for the rapid detection of SARS-CoV-2 RNA.
Vanadium complexes with N-heterocyclic vinylidene ligands
Authors: Kooij Bastiaan , Dong Zhaowen , Varava Paul , Fadaei-Tirani Farzaneh , Scopelliti Rosario , Piveteau Laura , Severin Kay
Published: March 2022

Vanadium complexes with N-heterocyclic vinylidene ligands are reported. The vinylidenes can act as 6e− donor ligands, leading to strong metal–carbon interactions.
Identification of functional substates of KRas during GTP hydrolysis with enhanced sampling simulations
Authors: Zeng Juan , Chen Jian , Xia Fei , Cui Qiang , Deng Xianming , Xu Xin
Published: March 2022

As the hub of major signaling pathways, Ras proteins are implicated in 19% of tumor-caused cancers due to perturbations in their conformational and/or catalytic properties.
A combination of proton spin diffusion NMR and molecular simulations to probe supramolecular assemblies of organic molecules in nanoporous materials
Authors: Dib Eddy , Bernardo-Maestro Beatriz , López-Arbeloa Fernando , Pérez-Pariente Joaquín , Gómez-Hortigüela Luis
Published: March 2022

A combination of high-resolution 1H MAS NMR and molecular simulations is used to distinguish between two aggregation states of (1R,2S)-ephedrine occluded within microporous AFI materials.